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20e6e440 still produces different residuals 6ea9caf0 Tony H2S. Amm.dat, phreeqc.dat, pitzer.dat, utf8, updated test cases c1c97a85 before H2S a7be9fcf Updated Amm.dat, phreeqc.dat, pitzer.dat for H2S(g) b40b25fd Another SIT database fce334ff use cmake for valgrind tests 90f9cb53 checking in test cases using latest revisions. degree sign in pitzer.dat d45a37e0 database UTF-8 3aa7a146 Tony database update, kinetic_rates example f385cf57 Tony's updates March 10, 2021 88afb660 Tony's changes March 10, 2021. 4396def4 add databases e4e5449a [wphast] updated date 4c209593 [phreeqc3] updated image location beaab1d6 more characters 6b8138c2 fixed degree sign 759cac1f fixed some sit.dat characters 3f258562 updated databases 8be6ec5f update to charlton master 2560903d [phreeqci] Testing subtree merges 1d71804f Merge commit 'a400365a5e06a9cd2ac0aa6e2c51fa4797c631f8' a400365a [phreeqc3] Testing subtree merges 4296b155 Merge commit '0e8069e37275f23d47e04bd6b7873ec56dfdf088' 0e8069e3 Fixed bug with more porosities than cells in TRANSPORT. Added silica sorption to databases. Revised CalPortDiff fa7cbaf5 Added .gitlab-ci.yml 6a8d5088 Added .gitlab-ci.yml cfc208b0 updated installer 164b85d3 Fixed some bugs with iso.dat inverse modeling, added test case. Still does not generate [13C](4) and [13C](-4) from SOLUTION 06e25ec8 Correction to core10.dat from Neveu git-subtree-dir: database git-subtree-split: 20e6e440f056358f9887ada878a76d8e3d4ecc64
16161 lines
608 KiB
Plaintext
16161 lines
608 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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# 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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SIT
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-epsilon
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(NpO2)2(OH)2+2 Cl- -0.248
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(NpO2)2(OH)2+2 ClO4- 0.57
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(NpO2)2CO3(OH)3- Na+ 0
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(NpO2)3(CO3)6-6 Na+ -0.46
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(NpO2)3(OH)5+ Cl- -0.226
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(NpO2)3(OH)5+ ClO4- 0.45
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(PuO2)2(OH)2+2 Cl- -0.248
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(PuO2)3(CO3)6-6 Na+ -0.46
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(UO2)2(CO3)(OH)3- Na+ 0
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(UO2)2(NpO2)(CO3)6-6 Na+ 0.09
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(UO2)2(OH)2+2 Cl- 0.69
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(UO2)2(OH)2+2 ClO4- 0.57
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(UO2)2(OH)2+2 NO3- 0.49
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(UO2)3(CO3)6-6 Na+ 0.37
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(UO2)3(OH)4+2 Cl- 0.5
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(UO2)3(OH)5+ Cl- 0.81
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Ag(SeO3)- Na+ -0.024
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Ag+ Cl- 0.031
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Al(OH)+2 Cl- 0.09
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Al(OH)2+ Cl- 0.09
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Al+3 Cl- 0.33
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Am(CO3)+ Cl- 0.129
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Am(CO3)+ ClO4- 0.17
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Am(CO3)2- Na+ -0.14
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Am(CO3)3-3 Na+ -0.23
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Am(CO3)5-6 Na+ -0.3
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Am(Edta)- Na+ 0.01
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Am(H2PO4)+2 Cl- 0.191
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Am(H2PO4)+2 ClO4- 0.39
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Am(NO3)+2 Cl- 0.191
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Am(NO3)+2 ClO4- 0.39
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Am(OH)+2 Cl- -0.04
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Am(OH)+2 ClO4- 0.39
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Am(OH)2+ Cl- -0.29
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Am(OH)2+ ClO4- 0.17
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Am(Ox)+ ClO4- 0.08
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Am(Ox)2- Na+ -0.21
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Am(Ox)3-3 Na+ -0.23
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Am(SO4)+ Cl- 0.157
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Am(SO4)+ ClO4- 0.22
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Am(SO4)2- Na+ -0.05
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Am+3 Cl- 0.23
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Am+3 ClO4- 0.49
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AmCl+2 Cl- 0.191
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AmCl+2 ClO4- 0.39
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AmCl2+ Cl- 0.129
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AmF+2 Cl- 0.191
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AmF+2 ClO4- 0.39
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AmF2+ Cl- 0.129
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AmF2+ ClO4- 0.17
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AmO2(CO3)- Na+ -0.18
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AmO2(CO3)2-3 Na+ -0.33
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AmO2(CO3)3-5 Na+ -0.53
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AmO2+ Cl- 0.09
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AmO2+2 Cl- 0.39
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B(OH)4- Na+ -0.07
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Ba+2 Cl- 0.07
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Ba+2 ClO4- 0.15
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Ba+2 NO3- -0.28
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Br- Na+ 0.05
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CO3-2 Na+ -0.08
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Ca+2 Cl- 0.14
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Ca+2 ClO4- 0.27
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Ca+2 NO3- 0.02
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Ca4Th(OH)8+4 Cl- -0.01
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Ca4Th(OH)8+4 ClO4- 0.21
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Cd(HCO3)+ Cl- 0.2
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Cd+2 Cl- 0.16
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Cd+2 NO3- 0.09
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CdCl+ Cl- 0.127
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CdCl+ ClO4- 0.25
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CdI+ Cl- 0.136
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CdI+ ClO4- 0.27
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Cit-3 Na+ -0.076
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Cl- Na+ 0.03
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Cm(CO3)2- Na+ 0.34
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Cm(CO3)3-3 Na+ 0.16
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Cm(H2PO4)+2 Cl- 0.191
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Cm(H2PO4)+2 ClO4- 0.39
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Cm(OH)+2 Cl- -0.04
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Cm(OH)+2 ClO4- 0.39
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Cm(OH)2+ Cl- -0.27
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Cm(OH)2+ ClO4- 0.17
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Cm(SO4)2- Na+ -0.05
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Cm+3 Cl- 0.23
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Cm+3 ClO4- 0.49
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CmCO3+ Cl- 0.35
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CmCl+2 Cl- 0.191
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CmCl+2 ClO4- 0.39
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CmCl2+ Cl- 0.129
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CmF+2 ClO4- 0.39
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CmF2+ ClO4- 0.17
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CmNO3+2 ClO4- 0.39
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CmSO4+ Cl- 0.157
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CmSO4+ ClO4- 0.22
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Cn- Na+ 0.07
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Co+2 Cl- 0.16
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Co+2 ClO4- 0.34
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Co+2 NO3- 0.14
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Cr+3 Cl- 0.3
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Cr+3 NO3- 0.27
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Cu+ ClO4- 0.11
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Cu+2 Cl- 0.08
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Cu+2 ClO4- 0.32
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Cu+2 NO3- 0.11
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Edta-4 Na+ 0.32
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Eu(CO3)+ Cl- 0.129
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Eu(CO3)+ ClO4- 0.17
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Eu(CO3)2- Na+ -0.14
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Eu(CO3)3-3 Na+ -0.23
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Eu(H2PO4)+2 Cl- 0.191
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Eu(H2PO4)+2 ClO4- 0.39
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Eu(NO3)+2 Cl- 0.191
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Eu(NO3)+2 ClO4- 0.39
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Eu(OH)+2 Cl- -0.04
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Eu(OH)+2 ClO4- 0.39
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Eu(OH)2+ Cl- -0.29
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Eu(OH)2+ ClO4- 0.17
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Eu(SO4)+ Cl- 0.157
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Eu(SO4)+ ClO4- 0.22
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Eu(SO4)2- Na+ -0.05
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Eu+3 Cl- 0.23
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Eu+3 ClO4- 0.49
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EuCl+2 Cl- 0.191
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EuCl+2 ClO4- 0.39
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EuCl2+ Cl- 0.129
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EuF+2 Cl- 0.191
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EuF2+ Cl- 0.129
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F- Na+ 0.02
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Fe(OH)+2 Cl- 0.186
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Fe+3 ClO4- 0.56
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Fe+3 NO3- 0.42
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H(Cit)-2 Na+ -0.04
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H(Edta)-3 Na+ -0.1
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H(Ox)- Na+ -0.07
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H(SO4)- Na+ -0.01
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H(SeO3)- Na+ 0.02
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H(SeO4)- Na+ 0
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H+ Cl- 0.12
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H+ ClO4- 0.14
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H+ NO3- 0.07
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H2(Cit)- Na+ -0.05
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H2(Edta)-2 Na+ -0.37
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H2(PO4)- Na+ -0.08
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H2(SiO4)-2 Na+ -0.1
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H3(Edta)- Na+ -0.33
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H3(SiO4)- Na+ -0.08
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H5(Edta)+ Cl- -0.23
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H5(Edta)+ ClO4- -0.23
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H5(Edta)+ NO3- -0.23
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H6(Edta)+2 Cl- -0.2
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H6(Edta)+2 ClO4- -0.2
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H6(Edta)+2 NO3- -0.2
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HCO3- Na+ 0
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HGlu- Na+ -0.07
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HIsa- Na+ -0.07
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HMoO4- Na+ -0.099
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HPO4-2 Na+ -0.15
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Hf(NO3)2+2 ClO4- 0.84
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Hf(OH)+3 ClO4- 0.57
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Hf+4 Cl- 0.89
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Hf+4 ClO4- 0.89
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Hf+4 NO3- 0.89
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HfCl+3 ClO4- 0.87
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HfCl2+2 ClO4- 0.84
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HfF+3 ClO4- 0.63
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HfF2+2 ClO4- 0.47
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HfNO3+3 ClO4- 0.91
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Ho(CO3)+ Cl- 0.129
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Ho(CO3)+ ClO4- 0.17
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Ho(CO3)2- Na+ -0.14
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Ho(CO3)3-3 Na+ -0.23
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Ho(H2PO4)+2 Cl- 0.191
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Ho(H2PO4)+2 ClO4- 0.39
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Ho(NO3)+2 Cl- 0.191
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Ho(NO3)+2 ClO4- 0.39
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Ho(OH)+2 Cl- -0.04
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Ho(OH)+2 ClO4- 0.39
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Ho(OH)2+ Cl- -0.29
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Ho(OH)2+ ClO4- 0.17
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Ho(SO4)+ Cl- 0.157
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Ho(SO4)+ ClO4- 0.22
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Ho(SO4)2- Na+ -0.05
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Ho+3 Cl- 0.23
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Ho+3 ClO4- 0.49
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HoCl+2 Cl- 0.191
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HoCl+2 ClO4- 0.39
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HoCl2+ Cl- 0.129
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HoF+2 Cl- 0.191
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HoF+2 ClO4- 0.39
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HoF2+ Cl- 0.129
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HoF2+ ClO4- 0.17
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I- Na+ 0.08
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IO3- Na+ -0.06
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K+ Cl- 0
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K+ NO3- -0.11
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Li+ Cl- 0.1
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Li+ ClO4- 0.15
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Li+ NO3- 0.08
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Mg(Cit)- Na+ 0.03
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Mg(Edta)-2 Na+ -0.01
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Mg(HEdta)- Na+ 0.11
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Mg(Ox)2-2 Na+ -0.15
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Mg+2 Cl- 0.19
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Mg+2 ClO4- 0.33
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Mg+2 NO3- 0.17
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Mn+2 Cl- 0.13
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Mo7O21(OH)3-3 Na+ -1.455
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Mo7O22(OH)2-4 Na+ -1.346
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Mo7O23(OH)-5 Na+ -1.145
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Mo7O24-6 Na+ -1.265
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MoO4-2 Na+ 0.034
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NH4+ Cl- -0.01
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NH4+ ClO4- -0.08
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NH4+ NO3- -0.06
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NO3- Na+ -0.04
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Na+ ClO4- 0.01
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Ni(CO3)2-2 Na+ 0.003
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Ni(Cit)- Na+ 0.22
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Ni(Cn)4-2 Na+ 0.185
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Ni(Cn)5-3 Na+ 0.25
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Ni(HCO3)+ Cl- 0.085
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Ni(NO3)+ Cl- 0.06
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Ni(NO3)+ ClO4- 0.44
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Ni(OH)+ Cl- -0.01
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Ni(OH)+ ClO4- 0.14
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Ni(OH)3- Na+ 0.88
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Ni(SO4)2-2 Na+ -0.263
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Ni(Scn)+ Cl- 0.11
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Ni(Scn)+ ClO4- 0.31
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Ni(Scn)3- Na+ 0.66
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Ni+2 Cl- 0.17
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Ni+2 ClO4- 0.37
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Ni+2 NO3- 0.182
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Ni4(OH)4+4 ClO4- 1.08
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NiCl+ Cl- 0.1
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NiCl+ ClO4- 0.47
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NiF+ Cl- 0.065
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NiF+ ClO4- 0.34
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NiHS+ ClO4- -0.85
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Np(CO3)(OH)3- Na+ -0.11
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Np(CO3)+ Cl- 0.129
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Np(CO3)+ ClO4- 0.17
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Np(CO3)2- Na+ -0.14
|
|
Np(CO3)3-3 Na+ -0.23
|
|
Np(CO3)4-4 Na+ -0.09
|
|
Np(CO3)5-6 Na+ 0
|
|
Np(NO3)+3 ClO4- 0.71
|
|
Np(OH)+2 Cl- -0.04
|
|
Np(OH)+2 ClO4- 0.39
|
|
Np(OH)+3 Cl- 0.2
|
|
Np(OH)+3 ClO4- 0.5
|
|
Np(OH)2+ Cl- -0.29
|
|
Np(OH)2+ ClO4- 0.17
|
|
Np(OH)2+2 Cl- 0.1
|
|
Np(OH)3+ Cl- 0.05
|
|
Np(OH)4(CO3)-2 Na+ -0.13
|
|
Np(SO4)+ Cl- 0.157
|
|
Np(SO4)+ ClO4- 0.22
|
|
Np(SO4)+2 Cl- 0.232
|
|
Np(SO4)+2 ClO4- 0.48
|
|
Np(SO4)2- Na+ -0.05
|
|
Np+3 Cl- 0.23
|
|
Np+3 ClO4- 0.49
|
|
Np+4 Cl- 0.4
|
|
Np+4 ClO4- 0.84
|
|
NpCl+3 ClO4- 0.81
|
|
NpF+3 ClO4- 0.58
|
|
NpF2+2 Cl- 0.186
|
|
NpF2+2 ClO4- 0.38
|
|
NpF3+ Cl- 0.1
|
|
NpI+3 ClO4- 0.77
|
|
NpO2(CO3)- Na+ -0.18
|
|
NpO2(CO3)2-2 Na+ -0.02
|
|
NpO2(CO3)2-3 Na+ -0.33
|
|
NpO2(CO3)2OH-4 Na+ -0.4
|
|
NpO2(CO3)3-4 Na+ -0.4
|
|
NpO2(CO3)3-5 Na+ -0.53
|
|
NpO2(Cit)-2 Na+ -0.06
|
|
NpO2(Edta)-3 Na+ 0.2
|
|
NpO2(HEdta)-2 Na+ 0.07
|
|
NpO2(HPO4)2-2 Na+ -0.1
|
|
NpO2(NO3)+ Cl- 0.22
|
|
NpO2(NO3)+ ClO4- 0.33
|
|
NpO2(OH)+ Cl- -0.003
|
|
NpO2(OH)+ ClO4- -0.06
|
|
NpO2(OH)2- Na+ -0.01
|
|
NpO2(Ox)- Na+ -0.4
|
|
NpO2(Ox)2-3 Na+ -0.3
|
|
NpO2(SO4)- Na+ -0.74
|
|
NpO2(SO4)2-2 Na+ -0.12
|
|
NpO2+ Cl- 0.09
|
|
NpO2+ ClO4- 0.25
|
|
NpO2+2 Cl- 0.223
|
|
NpO2+2 ClO4- 0.46
|
|
NpO2Cl+ Cl- 0.318
|
|
NpO2Cl+ ClO4- 0.5
|
|
NpO2F+ Cl- 0.197
|
|
NpO2F+ ClO4- 0.29
|
|
OH- Na+ 0.04
|
|
Ox-2 Na+ -0.08
|
|
PO4-3 Na+ -0.25
|
|
Pa+4 Cl- 0.3
|
|
PaO(OH)+2 Cl- 0.13
|
|
Pb(OH)3- Na+ 0.02
|
|
Pb(SO4)2-2 Na+ -0.52
|
|
Pb+2 Cl- 0.081
|
|
Pb+2 ClO4- 0.15
|
|
Pb+2 NO3- -0.2
|
|
PbF+ Cl- 0.14
|
|
Pd(SO4)2-2 Na+ -0.12
|
|
Pd+2 Cl- 0.16
|
|
PdBr+ Cl- 0.175
|
|
PdBr3- Na+ 0
|
|
PdBr4-2 Na+ 0.1
|
|
PdCl+ Cl- 0.175
|
|
PdCl3- Na+ 0
|
|
PdCl4-2 Na+ 0.1
|
|
Pu(CO3)+ Cl- 0.129
|
|
Pu(CO3)+ ClO4- 0.17
|
|
Pu(CO3)2- Na+ -0.14
|
|
Pu(CO3)3-3 Na+ -0.23
|
|
Pu(CO3)4-4 Na+ -0.09
|
|
Pu(CO3)5-6 Na+ 0
|
|
Pu(NO3)+2 Cl- 0.191
|
|
Pu(NO3)+2 ClO4- 0.39
|
|
Pu(NO3)+3 ClO4- 0.59
|
|
Pu(OH)+2 Cl- -0.04
|
|
Pu(OH)+2 ClO4- 0.39
|
|
Pu(OH)+3 Cl- 0.2
|
|
Pu(OH)+3 ClO4- 0.5
|
|
Pu(OH)2+ Cl- -0.29
|
|
Pu(OH)2+ ClO4- 0.17
|
|
Pu(OH)2+2 Cl- 0.1
|
|
Pu(OH)3+ Cl- 0.05
|
|
Pu(SO4)+ Cl- 0.157
|
|
Pu(SO4)+ ClO4- 0.22
|
|
Pu(SO4)+2 Cl- 0.232
|
|
Pu(SO4)+2 ClO4- 0.36
|
|
Pu(SO4)2- Na+ -0.05
|
|
Pu+3 Cl- 0.23
|
|
Pu+3 ClO4- 0.49
|
|
Pu+4 Cl- 0.37
|
|
Pu+4 ClO4- 0.82
|
|
PuBr+3 Cl- 0.1
|
|
PuBr+3 ClO4- 0.58
|
|
PuCl+3 Cl- 0.1
|
|
PuCl+3 ClO4- 0.85
|
|
PuF+3 Cl- 0.1
|
|
PuF+3 ClO4- 0.56
|
|
PuF2+2 Cl- 0.177
|
|
PuF2+2 ClO4- 0.36
|
|
PuF3+ Cl- 0.1
|
|
PuI+2 Cl- 0.191
|
|
PuI+2 ClO4- 0.39
|
|
PuI+3 Cl- 0.1
|
|
PuO2(CO3)2-2 Na+ -0.7
|
|
PuO2(CO3)3-4 Na+ -0.2
|
|
PuO2(CO3)3-5 Na+ -0.53
|
|
PuO2(OH)+ Cl- -0.003
|
|
PuO2(SO4)- Na+ -0.74
|
|
PuO2(SO4)2-2 Na+ -0.12
|
|
PuO2+ Cl- 0.129
|
|
PuO2+ ClO4- 0.24
|
|
PuO2+2 Cl- 0.223
|
|
PuO2+2 ClO4- 0.46
|
|
PuO2CO3- Na+ -0.18
|
|
PuO2Cl+ Cl- 0.318
|
|
PuO2Cl+ ClO4- 0.5
|
|
PuO2F+ Cl- 0.197
|
|
PuO2F+ ClO4- 0.29
|
|
PuO2F3- Na+ 0
|
|
PuO2NO3+ Cl- 0.22
|
|
PuO2NO3+ ClO4- 0.33
|
|
SO3-2 Na+ -0.08
|
|
SO4-2 Na+ -0.12
|
|
Scn- Na+ 0.05
|
|
SeO3-2 Na+ -0.08
|
|
SeO4-2 Na+ -0.12
|
|
Si2O2(OH)5- Na+ -0.08
|
|
Si2O3(OH)4-2 Na+ -0.15
|
|
Si3O5(OH)5-3 Na+ -0.25
|
|
Si3O6(OH)3-3 Na+ -0.25
|
|
Si4O8(OH)4-4 Na+ -0.26
|
|
Sm(CO3)+ Cl- 0.129
|
|
Sm(CO3)+ ClO4- 0.17
|
|
Sm(CO3)2- Na+ -0.14
|
|
Sm(CO3)3-3 Na+ -0.23
|
|
Sm(H2PO4)+2 Cl- 0.191
|
|
Sm(H2PO4)+2 ClO4- 0.39
|
|
Sm(NO3)+2 Cl- 0.191
|
|
Sm(NO3)+2 ClO4- 0.39
|
|
Sm(OH)+2 Cl- -0.04
|
|
Sm(OH)+2 ClO4- 0.39
|
|
Sm(OH)2+ Cl- -0.29
|
|
Sm(OH)2+ ClO4- 0.17
|
|
Sm(SO4)+ Cl- 0.157
|
|
Sm(SO4)+ ClO4- 0.22
|
|
Sm(SO4)2- Na+ -0.05
|
|
Sm+3 Cl- 0.23
|
|
Sm+3 ClO4- 0.49
|
|
SmCl+2 Cl- 0.191
|
|
SmCl+2 ClO4- 0.39
|
|
SmF+2 Cl- 0.191
|
|
SmF+2 ClO4- 0.39
|
|
Sn(OH)+ ClO4- -0.07
|
|
Sn(OH)3- Na+ 0.22
|
|
Sn+2 Cl- 0.14
|
|
Sn+2 ClO4- 0.19
|
|
Sn+4 ClO4- 0.7
|
|
Sn3(OH)4+2 ClO4- -0.02
|
|
SnBr+ ClO4- 0.15
|
|
SnBr3- Na+ 0.16
|
|
SnCl+ ClO4- 0.08
|
|
SnCl3- Na+ 0.04
|
|
SnF+ ClO4- 0.14
|
|
Th(CO3)5-6 Na+ -0.3
|
|
Th(H2PO4)+3 ClO4- 0.5
|
|
Th(H2PO4)2+2 ClO4- 0.4
|
|
Th(H3PO4)(H2PO4)+3 ClO4- 0.5
|
|
Th(H3PO4)+4 ClO4- 0.7
|
|
Th(NO3)+3 ClO4- 0.56
|
|
Th(NO3)+3 NO3- 0.56
|
|
Th(NO3)2+2 ClO4- 0.43
|
|
Th(NO3)2+2 NO3- 0.43
|
|
Th(OH)(CO3)4-5 Na+ -0.22
|
|
Th(OH)+3 Cl- 0.19
|
|
Th(OH)+3 ClO4- 0.48
|
|
Th(OH)+3 NO3- 0.2
|
|
Th(OH)2(CO3)2-2 Na+ -0.1
|
|
Th(OH)2+2 Cl- 0.13
|
|
Th(OH)2+2 ClO4- 0.33
|
|
Th(OH)2+2 NO3- 0.1
|
|
Th(OH)3(CO3)- Na+ -0.05
|
|
Th(OH)3+ Cl- 0.06
|
|
Th(OH)3+ ClO4- 0.15
|
|
Th(OH)3+ NO3- 0.05
|
|
Th(OH)4(CO3)-2 Na+ -0.1
|
|
Th(SO4)+2 Cl- 0.14
|
|
Th(SO4)+2 ClO4- 0.3
|
|
Th(SO4)3-2 Na+ -0.091
|
|
Th+4 Cl- 0.25
|
|
Th+4 ClO4- 0.7
|
|
Th+4 NO3- 0.31
|
|
Th2(OH)2+6 Cl- 0.4
|
|
Th2(OH)2+6 ClO4- 1.22
|
|
Th2(OH)2+6 NO3- 0.69
|
|
Th2(OH)3+5 Cl- 0.29
|
|
Th2(OH)3+5 ClO4- 0.91
|
|
Th2(OH)3+5 NO3- 0.69
|
|
Th4(OH)12+4 Cl- 0.25
|
|
Th4(OH)12+4 ClO4- 0.56
|
|
Th4(OH)12+4 NO3- 0.42
|
|
Th4(OH)8+8 Cl- 0.7
|
|
Th4(OH)8+8 ClO4- 1.69
|
|
Th4(OH)8+8 NO3- 1.59
|
|
Th6(OH)14+10 Cl- 0.83
|
|
Th6(OH)14+10 ClO4- 2.2
|
|
Th6(OH)14+10 NO3- 2.9
|
|
Th6(OH)15+9 Cl- 0.72
|
|
Th6(OH)15+9 ClO4- 1.85
|
|
Th6(OH)15+9 NO3- 2.2
|
|
ThCl+3 Cl- 0.62
|
|
ThCl+3 ClO4- 0.62
|
|
ThF+3 ClO4- 0.48
|
|
ThF+3 NO3- 0.25
|
|
ThF2+2 ClO4- 0.3
|
|
ThF2+2 NO3- 0.15
|
|
ThF3+ ClO4- 0.1
|
|
ThF3+ NO3- 0
|
|
U(CO3)4-4 Na+ -0.09
|
|
U(CO3)5-6 Na+ -0.3
|
|
U(NO3)+3 ClO4- 0.62
|
|
U(NO3)2+2 Cl- 0.236
|
|
U(NO3)2+2 ClO4- 0.49
|
|
U(OH)+3 Cl- 0.2
|
|
U(OH)+3 ClO4- 0.48
|
|
U(OH)2+2 Cl- 0.1
|
|
U(OH)3+ Cl- 0.05
|
|
U(SO4)+2 Cl- 0.149
|
|
U(SO4)+2 ClO4- 0.3
|
|
U+3 Cl- 0.23
|
|
U+3 ClO4- 0.49
|
|
U+4 Cl- 0.36
|
|
U+4 ClO4- 0.76
|
|
UBr+3 ClO4- 0.52
|
|
UCl+3 Cl- 0.1
|
|
UCl+3 ClO4- 0.5
|
|
UF+3 Cl- 0.1
|
|
UF+3 ClO4- 0.48
|
|
UF2+2 Cl- 0.149
|
|
UF2+2 ClO4- 0.3
|
|
UF3+ Cl- 0.1
|
|
UF3+ ClO4- 0.1
|
|
UI+3 ClO4- 0.55
|
|
UI+3 NO3- 0.56
|
|
UO2(CO3)2-2 Na+ -0.02
|
|
UO2(CO3)3-4 Na+ -0.01
|
|
UO2(CO3)3-5 Na+ -0.62
|
|
UO2(Cit)- Na+ -0.11
|
|
UO2(NO3)+ Cl- 0.22
|
|
UO2(NO3)+ ClO4- 0.33
|
|
UO2(OH)+ Cl- -0.003
|
|
UO2(OH)+ ClO4- -0.06
|
|
UO2(OH)+ NO3- 0.51
|
|
UO2(OH)3- Na+ -0.09
|
|
UO2(Ox)2-2 Na+ -0.18
|
|
UO2(Ox)3-4 Na+ -0.01
|
|
UO2(SO4)2-2 Na+ -0.12
|
|
UO2+ Cl- 0.18
|
|
UO2+ ClO4- 0.26
|
|
UO2+2 Cl- 0.21
|
|
UO2+2 ClO4- 0.46
|
|
UO2+2 NO3- 0.24
|
|
UO2Br+ Cl- 0.169
|
|
UO2Br+ ClO4- 0.24
|
|
UO2Cl+ Cl- 0.22
|
|
UO2Cl+ ClO4- 0.33
|
|
UO2F+ Cl- 0.04
|
|
UO2F+ ClO4- 0.28
|
|
UO2F3- Na+ -0.14
|
|
UO2F4-2 Na+ -0.3
|
|
Zn+2 Cl- 0.163
|
|
Zn+2 ClO4- 0.33
|
|
Zn+2 NO3- 0.16
|
|
Zr(CO3)4-4 Na+ -0.09
|
|
Zr(NO3)2+2 ClO4- 0.84
|
|
Zr(OH)+3 ClO4- 0.57
|
|
Zr(OH)2+2 ClO4- 0.62
|
|
Zr(OH)6-2 Na+ -0.1
|
|
Zr+4 Cl- 0.89
|
|
Zr+4 ClO4- 0.89
|
|
Zr+4 NO3- 0.89
|
|
Zr4(OH)15+ ClO4- 0.09
|
|
ZrCl+3 ClO4- 0.87
|
|
ZrCl2+2 ClO4- 0.84
|
|
ZrF+3 ClO4- 0.63
|
|
ZrF2+2 ClO4- 0.47
|
|
ZrF5- Na+ -0.14
|
|
ZrF6-2 Na+ -0.15
|
|
ZrNO3+3 ClO4- 0.88
|
|
|
|
|
|
|
|
SOLUTION_SPECIES
|
|
|
|
1.000H2O = H2O
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -285.83 #kJ/mol #89COX/WAG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ = H+
|
|
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
|
|
|
|
1.000e- = e-
|
|
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
|
|
|
|
1.000Acetate- = Acetate-
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -486.01 #kJ/mol #82WAG/EVA
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Adipate-2 = Adipate-2
|
|
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
|
|
|
|
1.000Ag+ = Ag+
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: 105.79 #kJ/mol #95SIL/BID
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 = Al+3
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -538.4 #kJ/mol #95POK/HEL
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 = Am+3
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -616.7 #kJ/mol #95SIL/BID
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000AsO4-3 = AsO4-3
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -888.14 #kJ/mol #09RAN/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000B(OH)4- = B(OH)4-
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -1345.116 #kJ/mol #99RAR/RAN
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ba+2 = Ba+2
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -534.8 #kJ/mol #95SIL/BID
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Br- = Br-
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -121.41 #kJ/mol #95SIL/BID
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000CO3-2 = CO3-2
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -675.23 #kJ/mol #89COX/WAG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 = Ca+2
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -543 #kJ/mol #89COX/WAG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 = Cd+2
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -75.92 #kJ/mol #89COX/WAG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cit-3 = Cit-3
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -1519.92 #kJ/mol #05HUM/AND
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cl- = Cl-
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -167.08 #kJ/mol #89COX/WAG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cm+3 = Cm+3
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -615 #kJ/mol #01KON2
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cn- = Cn-
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: 147.35 #kJ/mol #05OLI/NOL
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Co+2 = Co+2
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -57.6 #kJ/mol #98PLY/ZHA1
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000CrO4-2 = CrO4-2
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -879 #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cs+ = Cs+
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -258 #kJ/mol #95SIL/BID
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cu+2 = Cu+2
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: 64.9 #kJ/mol #92GRE/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Edta-4 = Edta-4
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -1704.8 #kJ/mol #05HUM/AND
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 = Eu+3
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -605.325 #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000F- = F-
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -335.35 #kJ/mol #95SIL/BID
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 = Fe+2
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -90 #kJ/mol #98CHI
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H2(PO4)- = H2(PO4)-
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -1302.6 #kJ/mol #89COX/WAG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H4(SiO4) = H4(SiO4)
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -1461.194 #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000HGlu- = HGlu-
|
|
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
|
|
|
|
1.000HIsa- = HIsa-
|
|
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
|
|
|
|
1.000Hf+4 = Hf+4
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -628.91 #kJ/mol #99VAS/LYT
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ho+3 = Ho+3
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -707.042 #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000I- = I-
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -56.78 #kJ/mol #92GRE/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000K+ = K+
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -252.14 #kJ/mol #89COX/WAG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Li+ = Li+
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -278.47 #kJ/mol #92GRE/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Malonate-2 = Malonate-2
|
|
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
|
|
|
|
1.000Mg+2 = Mg+2
|
|
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
|
|
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
|
|
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-
|
|
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+
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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)
|
|
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-
|
|
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-
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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+
|
|
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-
|
|
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+
|
|
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
|
|
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)
|
|
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-
|
|
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)
|
|
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-
|
|
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)-
|
|
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
|
|
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)-
|
|
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)-
|
|
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
|
|
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)-
|
|
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
|
|
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-
|
|
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
|
|
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-
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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)-
|
|
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)+
|
|
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)
|
|
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)+
|
|
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
|
|
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
|
|
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+
|
|
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)
|
|
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
|
|
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
|
|
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)-
|
|
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
|
|
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)-
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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-
|
|
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)+
|
|
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-
|
|
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
|
|
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)+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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)
|
|
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
|
|
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)-
|
|
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
|
|
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
|
|
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)+
|
|
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-
|
|
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)
|
|
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)+
|
|
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-
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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)-
|
|
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)-
|
|
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-
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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)+
|
|
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)+
|
|
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-
|
|
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
|
|
log_k 0.240 #97KÖN/FAN
|
|
delta_h 25.106 #kJ/mol
|
|
# Enthalpy of formation: -758.674 #kJ/mol
|
|
-analytic 4.63838E+0 0E+0 -1.31138E+3 0E+0 0E+0
|
|
|
|
1.000Am+3 + 2.000Cl- = AmCl2+
|
|
log_k -0.740 #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
|
|
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+
|
|
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
|
|
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)-
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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-
|
|
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-
|
|
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)-
|
|
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-
|
|
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)
|
|
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)+
|
|
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)+
|
|
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)+
|
|
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)
|
|
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+
|
|
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 + 1.000F- = BaF+
|
|
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
|
|
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
|
|
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)+
|
|
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)
|
|
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
|
|
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)-
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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)+
|
|
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)+
|
|
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)+
|
|
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)
|
|
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)+
|
|
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)
|
|
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)-
|
|
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)+
|
|
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)+
|
|
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)+
|
|
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)
|
|
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
|
|
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)
|
|
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)+
|
|
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)-
|
|
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)+
|
|
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
|
|
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)+
|
|
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)
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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 + 1.000Nta-3 = Ca(Nta)-
|
|
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)
|
|
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)+
|
|
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)
|
|
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
|
|
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)-
|
|
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)
|
|
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
|
|
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)
|
|
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)
|
|
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)
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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 + 1.000CrO4-2 = CaCrO4
|
|
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+
|
|
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+
|
|
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
|
|
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)+
|
|
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)+
|
|
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
|
|
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)
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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
|
|
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)+
|
|
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)+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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)
|
|
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)
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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
|
|
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)
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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+
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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)+
|
|
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-
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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)+
|
|
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-
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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
|
|
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)+
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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+
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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)+
|
|
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
|
|
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+
|
|
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
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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)
|
|
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
|
|
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+
|
|
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
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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-
|
|
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)+
|
|
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-
|
|
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
|
|
log_k 1.210 #09RAO/TIA1 (Calculated usig 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
|
|
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+
|
|
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
|
|
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)-
|
|
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-
|
|
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)+
|
|
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-
|
|
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
|
|
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)
|
|
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
|
|
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)+
|
|
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-
|
|
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)+
|
|
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-
|
|
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)+
|
|
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-
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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)
|
|
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
|
|
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
|
|
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)
|
|
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)-
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)-
|
|
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
|
|
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)+
|
|
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
|
|
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)+
|
|
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
|
|
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
|
|
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)
|
|
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
|
|
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)+
|
|
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-
|
|
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)
|
|
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)-
|
|
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)
|
|
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
|
|
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)
|
|
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)+
|
|
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)+
|
|
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
|
|
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)+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)-
|
|
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
|
|
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)+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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-
|
|
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-
|
|
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
|
|
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)
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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)
|
|
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)+
|
|
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-
|
|
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)+
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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+
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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-
|
|
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+
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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+
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)-
|
|
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
|
|
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)-
|
|
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
|
|
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)-
|
|
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)-
|
|
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)-
|
|
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)-
|
|
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)-
|
|
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)-
|
|
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)-
|
|
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)
|
|
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)-
|
|
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)-
|
|
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)-
|
|
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
|
|
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)
|
|
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)-
|
|
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)
|
|
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
|
|
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)
|
|
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)
|
|
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)
|
|
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
|
|
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)
|
|
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)
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)
|
|
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)
|
|
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)-
|
|
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)
|
|
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)
|
|
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)-
|
|
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)-
|
|
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)
|
|
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)+
|
|
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)
|
|
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)+
|
|
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
|
|
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
|
|
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-
|
|
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-
|
|
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+ + 1.000CrO4-2 = HCrO4-
|
|
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
|
|
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-
|
|
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
|
|
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-
|
|
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-
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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)
|
|
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
|
|
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)+
|
|
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-
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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-
|
|
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-
|
|
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-
|
|
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
|
|
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)-
|
|
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)-
|
|
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)
|
|
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+ + 1.000Nta-3 = K(Nta)-2
|
|
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+ + 1.000Pyrophos-4 = K(Pyrophos)-3
|
|
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+ + 1.000Al+3 - 4.000H+ + 4.000H2O = KAl(OH)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+ + 1.000H2(PO4)- = KH2PO4
|
|
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
|
|
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
|
|
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)
|
|
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)-
|
|
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
|
|
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)+
|
|
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)+
|
|
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)+
|
|
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)+
|
|
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)
|
|
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)-
|
|
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)+
|
|
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)
|
|
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)+
|
|
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)+
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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)-
|
|
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)+
|
|
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)
|
|
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
|
|
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)-
|
|
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
|
|
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)
|
|
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)
|
|
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)
|
|
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)
|
|
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
|
|
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+
|
|
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+
|
|
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+
|
|
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+
|
|
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+
|
|
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
|
|
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)
|
|
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)+
|
|
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)
|
|
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
|
|
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)+
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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)
|
|
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)
|
|
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)+
|
|
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)
|
|
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
|
|
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
|
|
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+
|
|
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+
|
|
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+
|
|
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
|
|
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-
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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)-
|
|
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
|
|
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)
|
|
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)-
|
|
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)-
|
|
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)
|
|
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+ + 1.000Nta-3 = Na(Nta)-2
|
|
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+ + 1.000S2O3-2 = Na(S2O3)-
|
|
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
|
|
|
|
2.000Na+ + 1.000Pyrophos-4 = Na2(Pyrophos)-2
|
|
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
|
|
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
|
|
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+ + 1.000F- = NaF
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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)+
|
|
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)
|
|
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-
|
|
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)-
|
|
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)+
|
|
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)
|
|
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
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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)+
|
|
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)
|
|
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)-
|
|
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)+
|
|
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)
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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)-
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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
|
|
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
|
|
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-
|
|
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)
|
|
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
|
|
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)
|
|
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
|
|
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)
|
|
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)
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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)+
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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+
|
|
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+
|
|
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
|
|
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-
|
|
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+
|
|
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
|
|
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
|
|
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-
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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)
|
|
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)-
|
|
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-
|
|
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
|
|
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)
|
|
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)+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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)
|
|
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)
|
|
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-
|
|
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+
|
|
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
|
|
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
|
|
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)-
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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)
|
|
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-
|
|
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
|
|
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)
|
|
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
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)-
|
|
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
|
|
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)-
|
|
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)
|
|
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
|
|
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)+
|
|
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)-
|
|
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
|
|
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)
|
|
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
|
|
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)+
|
|
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
|
|
log_k -12.210 #Estimated by correlation with An(VI) in funciton 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-
|
|
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)-
|
|
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
|
|
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)
|
|
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)-
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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-
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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)+
|
|
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-
|
|
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
|
|
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)
|
|
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-
|
|
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)+
|
|
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-
|
|
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)
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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)+
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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
|
|
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)
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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+
|
|
log_k 1.980 #82HÖG
|
|
delta_h 3.874 #kJ/mol
|
|
# Enthalpy of formation: -51.986 #kJ/mol
|
|
-analytic 2.65869E+0 0E+0 -2.02353E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 2.000I- = PbI2
|
|
log_k 3.150 #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-
|
|
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
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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
|
|
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)
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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)
|
|
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)-
|
|
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
|
|
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)
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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)
|
|
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)+
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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)
|
|
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)
|
|
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-
|
|
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+
|
|
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
|
|
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)-
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)-
|
|
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)-
|
|
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
|
|
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)+
|
|
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
|
|
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)+
|
|
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)
|
|
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
|
|
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)
|
|
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)
|
|
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)-
|
|
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
|
|
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-
|
|
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+
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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)
|
|
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)+
|
|
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)+
|
|
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
|
|
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)
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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+
|
|
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-
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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-
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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)
|
|
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
|
|
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)+
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
log_k -2.620 #Orginal 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)-
|
|
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
|
|
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
|
|
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)
|
|
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)-
|
|
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)-
|
|
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)+
|
|
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
|
|
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-
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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)
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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)
|
|
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)-
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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
|
|
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)+
|
|
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)+
|
|
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)+
|
|
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)
|
|
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)-
|
|
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)+
|
|
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
|
|
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)
|
|
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)+
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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)-
|
|
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)+
|
|
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)
|
|
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
|
|
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)-
|
|
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
|
|
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)
|
|
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)
|
|
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)
|
|
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+
|
|
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+
|
|
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+
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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-
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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)+
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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)-
|
|
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)
|
|
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
|
|
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)
|
|
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
|
|
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)-
|
|
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
|
|
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)-
|
|
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)
|
|
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)
|
|
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-
|
|
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+
|
|
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
|
|
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
|
|
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)-
|
|
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
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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)+
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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)
|
|
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)
|
|
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-
|
|
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+
|
|
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
|
|
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)-
|
|
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)-
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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)+
|
|
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
|
|
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-
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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)-
|
|
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
|
|
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)+
|
|
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
|
|
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)+
|
|
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)+
|
|
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
|
|
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
|
|
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)
|
|
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)
|
|
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)-
|
|
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)+
|
|
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
|
|
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-
|
|
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)
|
|
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)
|
|
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
|
|
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)+
|
|
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)-
|
|
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)-
|
|
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)+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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)-
|
|
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)
|
|
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)
|
|
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)
|
|
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)
|
|
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
|
|
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
|
|
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)
|
|
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
|
|
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)
|
|
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+
|
|
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+
|
|
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+
|
|
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
|
|
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+
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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+
|
|
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+
|
|
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
|
|
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)+
|
|
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
|
|
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)
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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+
|
|
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
|
|
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-
|
|
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
|
|
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
|
|
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
|
|
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 wiht 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
|
|
|
|
|
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|
|
|
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# PMATCH GASES
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|
|
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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
|
|
|
|
HCl(g)
|
|
HCl = 1.000H+ + 1.000Cl-
|
|
log_k 6.290
|
|
delta_h -74.770 #kJ/mol
|
|
# Enthalpy of formation: -92.31 #kJ/mol #89COX/WAG
|
|
-analytic -6.80912E+0 0E+0 3.9055E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
O2(g)
|
|
O2 = 1.000O2
|
|
log_k -2.900
|
|
delta_h -12.134 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic -5.02578E+0 0E+0 6.33802E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SO2(g)
|
|
SO2 = 2.000H+ + 1.000SO3-2 - 1.000H2O
|
|
log_k -8.940
|
|
delta_h -48.420 #kJ/mol
|
|
# Enthalpy of formation: -296.81 #kJ/mol #89COX/WAG
|
|
-analytic -1.74228E+1 0E+0 2.52915E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|