mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
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dd98e151 Tony's changes Mar 12 plus my corrections. c61c35ec Tony changes to basicsubs, updated viscosity for Sr, NH4, and tidied databases. git-subtree-dir: database git-subtree-split: dd98e151672348f240062be7fe72242e86226696
5655 lines
142 KiB
Plaintext
5655 lines
142 KiB
Plaintext
# File 1 = C:\GitPrograms\phreeqc3-1\database\minteq.dat, 15/03/2024 15:27, 5650 lines, 159592 bytes, md5=4c6f21f3073c15690f089901794039db
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# Created 17 May 2024 14:30:40
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# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "minteq.dat"
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# $Id: minteq.dat 11091 2016-04-21 15:20:05Z dlpark $
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SOLUTION_MASTER_SPECIES
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#######################################################
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# essential definitions
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#######################################################
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Alkalinity CO3-2 2 61.0173 61.0173
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E e- 1 0 0
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H H+ -1 1.008 1.008
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H(0) H2 0 1.008
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H(1) H+ -1 1.008
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O H2O 0 16 16
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O(-2) H2O 0 16 16
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O(0) O2 0 16 16
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#######################################################
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Ag Ag+ 0 107.868 107.868
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Al Al+3 0 26.9815 26.9815
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As H3AsO4 -1 74.9216 74.9216
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As(+3) H3AsO3 0 74.9216
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As(+5) H3AsO4 -1 74.9216
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B H3BO3 0 10.81 10.81
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Ba Ba+2 0 137.34 137.34
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Be Be+2 0 9.0122 9.0122
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Br Br- 0 79.904 79.904
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C CO3-2 2 61.0173 12.0111
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C(+4) CO3-2 2 61.0173
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#C(-4) CH4 0.0 16.042
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Cyanide Cyanide- 0 26.018 26.018
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Cyanate Cyanate- 0 42.017 42.017
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#DOM DOM-2.8 0 0 0
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#ClIG2 ClIG2 0 0 0
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Ca Ca+2 0 40.08 40.08
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Cd Cd+2 0 112.399 112.399
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Cl Cl- 0 35.453 35.453
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Cr CrO4-2 1 51.996 51.996
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Cr(2) Cr+2 0 51.996
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Cr(3) Cr(OH)2+ 1 51.996
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Cr(6) CrO4-2 1 51.996
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Cu Cu+2 0 63.546 63.546
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Cu(1) Cu+ 0 63.546
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Cu(2) Cu+2 0 63.546
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F F- 0 18.9984 18.9984
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Fe Fe+3 0 55.847 55.847
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Fe(+2) Fe+2 0 55.847
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Fe(+3) Fe+3 -2 55.847
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Hg Hg(OH)2 0 200.59 200.59
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Hg(2) Hg(OH)2 0 200.59
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Hg(1) Hg2+2 0 200.59
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Hg(0) Hg 0 200.59
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I I- 0 126.904 126.904
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K K+ 0 39.102 39.102
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Li Li+ 0 6.939 6.939
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Mg Mg+2 0 24.312 24.312
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Mn Mn+3 0 54.938 54.938
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Mn(2) Mn+2 0 54.938
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Mn(3) Mn+3 0 54.938
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Mn(6) MnO4-2 0 54.938
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Mn(7) MnO4- 0 54.938
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N NO3- 0 14.0067 14.0067
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N(-3) NH4+ 0 14.0067
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#N(0) N2 0.0 14.0067
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N(+3) NO2- 0 14.0067
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N(+5) NO3- 0 14.0067
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Na Na+ 0 22.9898 22.9898
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Ni Ni+2 0 58.71 58.71
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P PO4-3 2 30.9738 30.9738
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Pb Pb+2 0 207.19 207.19
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Rb Rb+ 0 85.4699 85.4699
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S SO4-2 0 96.0616 32.064
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S(-2) HS- 1 32.064
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S(6) SO4-2 0 96.0616
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Sb Sb(OH)6- 0 Sb 121.75
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Sb(3) Sb(OH)3 0 Sb
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Sb(5) Sb(OH)6- 0 Sb
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Se SeO4-2 0 78.96 78.96
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Se(-2) HSe- 0 78.96
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Se(4) SeO3-2 0 78.96
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Se(6) SeO4-2 0 78.96
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Si H4SiO4 0 96.1155 28.0843
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Sr Sr+2 0 87.62 87.62
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Tl Tl(OH)3 0 204.37 204.37
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Tl(1) Tl+ 0 204.37
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Tl(3) Tl(OH)3 0 204.37
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U UO2+2 0 238.029 238.029
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U(3) U+3 0 238.029
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U(4) U+4 0 238.029
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U(5) UO2+ 0 238.029
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U(6) UO2+2 0 238.029
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V VO2+ -2 50.94 50.94
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V(2) V+2 0 50.94
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V(3) V+3 -3 50.94
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V(4) VO+2 0 50.94
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V(5) VO2+ -2 50.94
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Zn Zn+2 0 65.37 65.37
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Benzoate Benzoate- 0 121.12 121.12
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Para_acetate Para_acetate- 1 134.14 134.14
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Isophthalate Isophthalate-2 1 164.12 164.12
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Diethylamine Diethylamine 0 73 73
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Nbutylamine Nbutylamine 1 73 73
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Methylamine Methylamine 1 31.018 31.018
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Dimethylamine Dimethylamine 1 45.028 45.028
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Tributylphosphate Tributylphosphate 0 265.97 265.97
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Hexylamine Hexylamine 1 101 101
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Ethylenediamine Ethylenediamine 2 60.12 60.12
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Npropylamine Npropylamine 1 59.04 59.04
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Isopropylamine Isopropylamine 1 59.04 59.04
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Trimethylamine Trimethylamine 1 59.04 59.04
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Citrate Citrate-3 2 189.06 189.06
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Nta Nta-3 1 188.06 188.06
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Edta Edta-4 2 276 276
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Propanoate Propanoate- 1 73.032 73.032
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Butanoate Butanoate- 0 87.043 87.043
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Isobutyrate Isobutyrate- 1 87.043 87.043
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Two_methylpyridine Two_methylpyridine 1 94 94
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Three_methylpyridine Three_methylpyridine 1 94 94
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Four_methylpyridine Four_methylpyridine 1 94 94
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Formate Formate- 0 45.02 45.02
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Isovalerate Isovalerate- 1 101.13 101.13
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Valerate Valerate- 1 101.13 101.13
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Acetate Acetate- 1 59.05 59.05
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Tartrate Tartrate-2 0 148.09 148.09
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Glycine Glycine- 1 74.07 74.07
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Salicylate Salicylate-2 1 136.12 136.12
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Glutamate Glutamate-2 1 145.13 145.13
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Phthalate Phthalate-2 1 164.13 164.13
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SOLUTION_SPECIES
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#######################################################
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# essential definitions
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#######################################################
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e- = e-
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log_k 0
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delta_h 0 kcal
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H+ = H+
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log_k 0
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delta_h 0 kcal
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-gamma 9 0
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H2O = H2O
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log_k 0
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delta_h 0 kcal
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2 H2O = O2 + 4 H+ + 4 e-
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log_k -86.08
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delta_h 134.79 kcal
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2 H+ + 2 e- = H2
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log_k -3.15
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delta_h -1.759 kcal
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CO3-2 = CO3-2
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log_k 0
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delta_h 0 kcal
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-gamma 5.4 0
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#######################################################
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Ag+ = Ag+
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log_k 0
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delta_h 0 kcal
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Al+3 = Al+3
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log_k 0
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delta_h 0 kcal
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-gamma 9 0
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H3AsO4 = H3AsO4
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log_k 0
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delta_h 0 kcal
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H3AsO4 + 2 e- + 2 H+ = H3AsO3 + H2O
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log_k 19.444
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delta_h -30.015 kcal
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H3BO3 = H3BO3
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log_k 0
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delta_h 0 kcal
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Ba+2 = Ba+2
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log_k 0
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delta_h 0 kcal
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-gamma 5 0
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Be+2 = Be+2
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log_k 0
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delta_h 0 kcal
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Br- = Br-
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log_k 0
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delta_h 0 kcal
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-gamma 4 0
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Cyanide- = Cyanide-
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log_k 0
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delta_h 0 kcal
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Cyanate- = Cyanate-
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log_k 0
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delta_h 0 kcal
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Ca+2 = Ca+2
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log_k 0
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delta_h 0 kcal
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-gamma 6 .165
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Cd+2 = Cd+2
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|
log_k 0
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|
delta_h 0 kcal
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Cl- = Cl-
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log_k 0
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delta_h 0 kcal
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-gamma 3 .015
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CrO4-2 = CrO4-2
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log_k 0
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delta_h 0 kcal
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-gamma 4 0
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Cr(OH)2+ + 2 H+ + e- = Cr+2 + 2 H2O
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log_k 2.947
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delta_h 6.36 kcal
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CrO4-2 + 6 H+ + 3 e- = Cr(OH)2+ + 2 H2O
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log_k 67.376
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delta_h -103 kcal
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Cu+2 = Cu+2
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log_k 0
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delta_h 0 kcal
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-gamma 2.5 0
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Cu+2 + e- = Cu+
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log_k 2.72
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delta_h 1.65 kcal
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-gamma 2.5 0
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F- = F-
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log_k 0
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delta_h 0 kcal
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-gamma 3.5 0
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Fe+3 = Fe+3
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log_k 0
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delta_h 0 kcal
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|
-gamma 9 0
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Fe+3 + e- = Fe+2
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|
log_k 13.032
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delta_h -10 kcal
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-gamma 6 0
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|
Hg(OH)2 = Hg(OH)2
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|
log_k 0
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delta_h 0 kcal
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|
2 Hg(OH)2 + 4 H+ + 2 e- = Hg2+2 + 4 H2O
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|
log_k 42.987
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delta_h -63.59 kcal
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-gamma 4 0
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0.5 Hg2+2 + e- = Hg
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|
log_k 6.9316
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|
delta_h -16.605 kcal
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|
I- = I-
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|
log_k 0
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|
delta_h 0 kcal
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|
K+ = K+
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|
log_k 0
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|
delta_h 0 kcal
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|
-gamma 3 .015
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Li+ = Li+
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|
log_k 0
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|
delta_h 0 kcal
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|
-gamma 6 0
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|
Mg+2 = Mg+2
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|
log_k 0
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delta_h 0 kcal
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|
-gamma 6.5 .2
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Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e-
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log_k -127.824
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|
delta_h 176.62 kcal
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-gamma 3 0
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Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e-
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log_k -118.44
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delta_h 150.02 kcal
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-gamma 5 0
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Mn+3 = Mn+3
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log_k 0
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delta_h 0 kcal
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|
-gamma 9 0
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Mn+3 + e- = Mn+2
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|
log_k 25.507
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|
delta_h 25.76 kcal
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-gamma 6 0
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NO3- = NO3-
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log_k 0
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delta_h 0 kcal
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-gamma 3 0
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NO3- + 2 H+ + 2 e- = NO2- + H2O
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log_k 28.57
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delta_h -43.76 kcal
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NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
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log_k 119.077
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delta_h -187.055 kcal
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-gamma 2.5 0
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|
Na+ = Na+
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log_k 0
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|
delta_h 0 kcal
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|
-gamma 4 .075
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|
Ni+2 = Ni+2
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|
log_k 0
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|
delta_h 0 kcal
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|
PO4-3 = PO4-3
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|
log_k 0
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|
delta_h 0 kcal
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|
-gamma 5 0
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|
Pb+2 = Pb+2
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|
log_k 0
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|
delta_h 0 kcal
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|
Rb+ = Rb+
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|
log_k 0
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|
delta_h 0 kcal
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|
SO4-2 = SO4-2
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|
log_k 0
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|
delta_h 0 kcal
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|
-gamma 4 -.04
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|
SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O
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|
log_k 33.66
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|
delta_h -60.14 kcal
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-gamma 3.5 0
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|
Sb(OH)6- = Sb(OH)6-
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|
log_k 0
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delta_h 0 kcal
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Sb(OH)6- + 2 e- + 3 H+ = Sb(OH)3 + 3 H2O
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|
log_k 25.7791
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delta_h 0 kcal
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SeO4-2 = SeO4-2
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log_k 0
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|
delta_h 0 kcal
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-gamma 4 0
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HSeO3- + 6 e- + 6 H+ = HSe- + 3 H2O
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|
log_k 35.38
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delta_h -78.17 kcal
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SeO4-2 + 2 e- + 3 H+ = HSeO3- + H2O
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log_k 36.319
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delta_h -48.095 kcal
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H4SiO4 = H4SiO4
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log_k 0
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delta_h 0 kcal
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Sr+2 = Sr+2
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log_k 0
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delta_h 0 kcal
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-gamma 5 0
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Tl(OH)3 = Tl(OH)3
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log_k 0
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|
delta_h 0 kcal
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Tl(OH)3 + 2 e- + 3 H+ = Tl+ + 3 H2O
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|
log_k 48.0178
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delta_h 0 kcal
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|
UO2+2 = UO2+2
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|
log_k 0
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|
delta_h 0 kcal
|
|
UO2+2 + e- = UO2+
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|
log_k 2.785
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delta_h -3.3 kcal
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|
UO2+2 + 2 e- + 4 H+ = U+4 + 2 H2O
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log_k 9.216
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delta_h -34.43 kcal
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|
UO2+2 + 3 e- + 4 H+ = U+3 + 2 H2O
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|
log_k 0.42
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|
delta_h -10.03 kcal
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|
VO2+ = VO2+
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|
log_k 0
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|
delta_h 0 kcal
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|
VO2+ + e- + 2 H+ = VO+2 + H2O
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|
log_k 16.93
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delta_h -29.32 kcal
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|
VO2+ + 2 e- + 4 H+ = V+3 + 2 H2O
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log_k 22.61
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delta_h -44.23 kcal
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VO2+ + 3 e- + 4 H+ = V+2 + 2 H2O
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log_k 18.38
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|
delta_h -35.33 kcal
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|
Zn+2 = Zn+2
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|
log_k 0
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|
delta_h 0 kcal
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|
-gamma 6 0
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|
Benzoate- = Benzoate-
|
|
log_k 0
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|
delta_h 0 kcal
|
|
Para_acetate- = Para_acetate-
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|
log_k 0
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|
delta_h 0 kcal
|
|
Isophthalate-2 = Isophthalate-2
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|
log_k 0
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|
delta_h 0 kcal
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Diethylamine = Diethylamine
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|
log_k 0
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|
delta_h 0 kcal
|
|
Nbutylamine = Nbutylamine
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|
log_k 0
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|
delta_h 0 kcal
|
|
Methylamine = Methylamine
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|
log_k 0
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|
delta_h 0 kcal
|
|
Dimethylamine = Dimethylamine
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Tributylphosphate = Tributylphosphate
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|
log_k 0
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|
delta_h 0 kcal
|
|
Hexylamine = Hexylamine
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|
log_k 0
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|
delta_h 0 kcal
|
|
Ethylenediamine = Ethylenediamine
|
|
log_k 0
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|
delta_h 0 kcal
|
|
Npropylamine = Npropylamine
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Isopropylamine = Isopropylamine
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Trimethylamine = Trimethylamine
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Citrate-3 = Citrate-3
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Nta-3 = Nta-3
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Edta-4 = Edta-4
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|
log_k 0
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|
delta_h 0 kcal
|
|
Propanoate- = Propanoate-
|
|
log_k 0
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|
delta_h 0 kcal
|
|
Butanoate- = Butanoate-
|
|
log_k 0
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|
delta_h 0 kcal
|
|
Isobutyrate- = Isobutyrate-
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Two_methylpyridine = Two_methylpyridine
|
|
log_k 0
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|
delta_h 0 kcal
|
|
Three_methylpyridine = Three_methylpyridine
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Four_methylpyridine = Four_methylpyridine
|
|
log_k 0
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|
delta_h 0 kcal
|
|
Formate- = Formate-
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Isovalerate- = Isovalerate-
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Valerate- = Valerate-
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Acetate- = Acetate-
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Tartrate-2 = Tartrate-2
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Glycine- = Glycine-
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Salicylate-2 = Salicylate-2
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Glutamate-2 = Glutamate-2
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
Phthalate-2 = Phthalate-2
|
|
log_k 0
|
|
delta_h 0 kcal
|
|
SOLUTION_SPECIES
|
|
H2O = OH- + H+
|
|
log_k -13.998
|
|
delta_h 13.345 kcal
|
|
-gamma 3.5 0
|
|
H4SiO4 = H3SiO4- + H+
|
|
log_k -9.93
|
|
delta_h 8.935 kcal
|
|
-gamma 4 0
|
|
-analytical 6.368 -0.016346 -3405.9
|
|
H4SiO4 = H2SiO4-2 + 2 H+
|
|
log_k -21.619
|
|
delta_h 29.714 kcal
|
|
-gamma 5.4 0
|
|
-analytical 39.478 -0.065927 -12355.1
|
|
H4SiO4 + 6 F- + 4 H+ = SiF6-2 + 4 H2O
|
|
log_k 30.18
|
|
delta_h -16.26 kcal
|
|
-gamma 5 0
|
|
H3BO3 = H2BO3- + H+
|
|
log_k -9.24
|
|
delta_h 3.224 kcal
|
|
-gamma 2.5 0
|
|
-analytical 24.3919 0.012078 -1343.9 -13.2258
|
|
H3BO3 + F- = BF(OH)3-
|
|
log_k -0.399
|
|
delta_h 1.85 kcal
|
|
-gamma 2.5 0
|
|
H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O
|
|
log_k 7.63
|
|
delta_h 1.635 kcal
|
|
-gamma 2.5 0
|
|
H3BO3 + 3 F- + 2 H+ = BF3OH- + 2 H2O
|
|
log_k 13.667
|
|
delta_h -1.58 kcal
|
|
-gamma 2.5 0
|
|
H3BO3 + 4 F- + 3 H+ = BF4- + 3 H2O
|
|
log_k 20.274
|
|
delta_h -1.795 kcal
|
|
-gamma 2.5 0
|
|
NH4+ = NH3 + H+
|
|
log_k -9.252
|
|
delta_h 12.48 kcal
|
|
-analytical 0.6322 -0.001225 -2835.76
|
|
NH4+ + SO4-2 = NH4SO4-
|
|
log_k 1.11
|
|
delta_h 0 kcal
|
|
-gamma 5 0
|
|
Mg+2 + H2O = MgOH+ + H+
|
|
log_k -11.79
|
|
delta_h 15.935 kcal
|
|
-gamma 6.5 0
|
|
-analytical -3.53 0.00513 -2917.1
|
|
Mg+2 + F- = MgF+
|
|
log_k 1.82
|
|
delta_h 4.674 kcal
|
|
-gamma 4.5 0
|
|
Mg+2 + CO3-2 = MgCO3
|
|
log_k 2.98
|
|
delta_h 2.022 kcal
|
|
-analytical 0.991 0.00667
|
|
Mg+2 + CO3-2 + H+ = MgHCO3+
|
|
log_k 11.4
|
|
delta_h -2.43 kcal
|
|
-gamma 4 0
|
|
# Minteq a_e has more constants than phreeqc, can not use
|
|
# -analytical_expression -4.179 0.012734 2902.39 0.0 2.29812E-5
|
|
Mg+2 + SO4-2 = MgSO4
|
|
log_k 2.25
|
|
delta_h 1.399 kcal
|
|
Mg+2 + PO4-3 = MgPO4-
|
|
log_k 6.589
|
|
delta_h 3.1 kcal
|
|
-gamma 5.4 0
|
|
Mg+2 + PO4-3 + 2 H+ = MgH2PO4+
|
|
log_k 21.066
|
|
delta_h -1.12 kcal
|
|
-gamma 5.4 0
|
|
Mg+2 + PO4-3 + H+ = MgHPO4
|
|
log_k 15.22
|
|
delta_h -0.23 kcal
|
|
Ca+2 + H2O = CaOH+ + H+
|
|
log_k -12.598
|
|
delta_h 14.535 kcal
|
|
-gamma 6 0
|
|
Ca+2 + CO3-2 + H+ = CaHCO3+
|
|
log_k 11.33
|
|
delta_h 1.79 kcal
|
|
-gamma 6 0
|
|
-analytical -9.448 0.03709 2902.39
|
|
Ca+2 + CO3-2 = CaCO3
|
|
log_k 3.15
|
|
delta_h 4.03 kcal
|
|
-analytical -27.393 0.05617 4114
|
|
Ca+2 + SO4-2 = CaSO4
|
|
log_k 2.309
|
|
delta_h 1.47 kcal
|
|
Ca+2 + PO4-3 + H+ = CaHPO4
|
|
log_k 15.085
|
|
delta_h -0.23 kcal
|
|
Ca+2 + PO4-3 = CaPO4-
|
|
log_k 6.459
|
|
delta_h 3.1 kcal
|
|
-gamma 5.4 0
|
|
Ca+2 + PO4-3 + 2 H+ = CaH2PO4+
|
|
log_k 20.96
|
|
delta_h -1.12 kcal
|
|
-gamma 5.4 0
|
|
Ca+2 + F- = CaF+
|
|
log_k 0.94
|
|
delta_h 3.798 kcal
|
|
-gamma 5 0
|
|
Na+ + CO3-2 = NaCO3-
|
|
log_k 1.268
|
|
delta_h 8.911 kcal
|
|
-gamma 5.4 0
|
|
Na+ + CO3-2 + H+ = NaHCO3
|
|
log_k 10.08
|
|
delta_h 0 kcal
|
|
Na+ + SO4-2 = NaSO4-
|
|
log_k 0.7
|
|
delta_h 1.12 kcal
|
|
-gamma 5.4 0
|
|
Na+ + PO4-3 + H+ = NaHPO4-
|
|
log_k 12.636
|
|
delta_h 0 kcal
|
|
-gamma 5.4 0
|
|
Na+ + F- = NaF
|
|
log_k -0.79
|
|
delta_h 0 kcal
|
|
K+ + SO4-2 = KSO4-
|
|
log_k 0.85
|
|
delta_h 2.25 kcal
|
|
-gamma 5.4 0
|
|
-analytical 3.106 0 -673.6
|
|
K+ + PO4-3 + H+ = KHPO4-
|
|
log_k 12.64
|
|
-gamma 5.4 0
|
|
delta_h 0 kcal
|
|
Al+3 + H2O = AlOH+2 + H+
|
|
log_k -4.99
|
|
delta_h 11.899 kcal
|
|
-gamma 5.4 0
|
|
Al+3 + 2 H2O = Al(OH)2+ + 2 H+
|
|
log_k -10.1
|
|
delta_h 0 kcal
|
|
-gamma 5.4 0
|
|
Al+3 + 4 H2O = Al(OH)4- + 4 H+
|
|
log_k -23
|
|
delta_h 44.06 kcal
|
|
-gamma 4.5 0
|
|
Al+3 + F- = AlF+2
|
|
log_k 7.01
|
|
delta_h 0 kcal
|
|
-gamma 5.4 0
|
|
Al+3 + 2 F- = AlF2+
|
|
log_k 12.75
|
|
delta_h 20 kcal
|
|
-gamma 5.4 0
|
|
Al+3 + 3 F- = AlF3
|
|
log_k 17.02
|
|
delta_h 2.5 kcal
|
|
Al+3 + 4 F- = AlF4-
|
|
log_k 19.72
|
|
delta_h 0 kcal
|
|
-gamma 4.5 0
|
|
Al+3 + SO4-2 = AlSO4+
|
|
log_k 3.02
|
|
delta_h 2.15 kcal
|
|
-gamma 4.5 0
|
|
Al+3 + 2 SO4-2 = Al(SO4)2-
|
|
log_k 4.92
|
|
delta_h 2.84 kcal
|
|
-gamma 4.5 0
|
|
Al+3 + 3 H2O = Al(OH)3 + 3 H+
|
|
log_k -16
|
|
delta_h 0 kcal
|
|
Fe+2 + H2O = FeOH+ + H+
|
|
log_k -9.5
|
|
delta_h 13.199 kcal
|
|
-gamma 5 0
|
|
Fe+2 + 3 H2O = Fe(OH)3- + 3 H+
|
|
log_k -31
|
|
delta_h 30.3 kcal
|
|
-gamma 5 0
|
|
Fe+2 + SO4-2 = FeSO4
|
|
log_k 2.25
|
|
delta_h 3.23 kcal
|
|
Fe+2 + PO4-3 + 2 H+ = FeH2PO4+
|
|
log_k 22.253
|
|
delta_h 0 kcal
|
|
-gamma 5.4 0
|
|
Fe+2 + 2 H2O = Fe(OH)2 + 2 H+
|
|
log_k -20.57
|
|
delta_h 28.565 kcal
|
|
Fe+2 + PO4-3 + H+ = FeHPO4
|
|
log_k 15.95
|
|
delta_h 0 kcal
|
|
Fe+2 + 2 HS- = Fe(HS)2
|
|
log_k 8.95
|
|
delta_h 0 kcal
|
|
Fe+2 + 3 HS- = Fe(HS)3-
|
|
log_k 10.987
|
|
delta_h 0 kcal
|
|
Fe+3 + H2O = FeOH+2 + H+
|
|
log_k -2.19
|
|
delta_h 10.399 kcal
|
|
-gamma 5 0
|
|
Fe+3 + PO4-3 + H+ = FeHPO4+
|
|
log_k 17.78
|
|
delta_h -7.3 kcal
|
|
-gamma 5.4 0
|
|
Fe+3 + SO4-2 = FeSO4+
|
|
log_k 3.92
|
|
delta_h 3.91 kcal
|
|
-gamma 5 0
|
|
Fe+3 + Cl- = FeCl+2
|
|
log_k 1.48
|
|
delta_h 5.6 kcal
|
|
-gamma 5 0
|
|
Fe+3 + 2 Cl- = FeCl2+
|
|
log_k 2.13
|
|
delta_h 0 kcal
|
|
-gamma 5 0
|
|
Fe+3 + 3 Cl- = FeCl3
|
|
log_k 1.13
|
|
delta_h 0 kcal
|
|
Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+
|
|
log_k -5.67
|
|
delta_h 0 kcal
|
|
-gamma 5.4 0
|
|
Fe+3 + 3 H2O = Fe(OH)3 + 3 H+
|
|
log_k -13.6
|
|
delta_h 0 kcal
|
|
Fe+3 + 4 H2O = Fe(OH)4- + 4 H+
|
|
log_k -21.6
|
|
delta_h 0 kcal
|
|
-gamma 5.4 0
|
|
Fe+3 + PO4-3 + 2 H+ = FeH2PO4+2
|
|
log_k 24.98
|
|
delta_h 0 kcal
|
|
-gamma 5.4 0
|
|
Fe+3 + F- = FeF+2
|
|
log_k 6.199
|
|
delta_h 2.699 kcal
|
|
-gamma 5 0
|
|
Fe+3 + 2 F- = FeF2+
|
|
log_k 10.8
|
|
delta_h 4.8 kcal
|
|
-gamma 5 0
|
|
Fe+3 + 3 F- = FeF3
|
|
log_k 14
|
|
delta_h 5.399 kcal
|
|
Fe+3 + 2 SO4-2 = Fe(SO4)2-
|
|
log_k 5.42
|
|
delta_h 4.6 kcal
|
|
2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+
|
|
log_k -2.95
|
|
delta_h 13.5 kcal
|
|
3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+
|
|
log_k -6.3
|
|
delta_h 14.3 kcal
|
|
Li+ + SO4-2 = LiSO4-
|
|
log_k 0.64
|
|
delta_h 0 kcal
|
|
-gamma 5 0
|
|
Sr+2 + H2O = SrOH+ + H+
|
|
log_k -13.178
|
|
delta_h 14.495 kcal
|
|
-gamma 5 0
|
|
Ba+2 + H2O = BaOH+ + H+
|
|
log_k -13.358
|
|
delta_h 15.095 kcal
|
|
-gamma 5 0
|
|
Mn+2 + Cl- = MnCl+
|
|
log_k 0.607
|
|
delta_h 0 kcal
|
|
-gamma 5 0
|
|
Mn+2 + 2 Cl- = MnCl2
|
|
log_k 0.041
|
|
delta_h 0 kcal
|
|
Mn+2 + 3 Cl- = MnCl3-
|
|
log_k -0.305
|
|
delta_h 0 kcal
|
|
-gamma 5 0
|
|
Mn+2 + H2O = MnOH+ + H+
|
|
log_k -10.59
|
|
delta_h 14.399 kcal
|
|
-gamma 5 0
|
|
Mn+2 + 3 H2O = Mn(OH)3- + 3 H+
|
|
log_k -34.8
|
|
delta_h 0 kcal
|
|
-gamma 5 0
|
|
Mn+2 + F- = MnF+
|
|
log_k 0.85
|
|
delta_h 0 kcal
|
|
-gamma 5 0
|
|
Mn+2 + SO4-2 = MnSO4
|
|
log_k 2.26
|
|
delta_h 2.17 kcal
|
|
Mn+2 + 2 NO3- = Mn(NO3)2
|
|
log_k 0.6
|
|
delta_h -0.396 kcal
|
|
Mn+2 + CO3-2 + H+ = MnHCO3+
|
|
log_k 11.6
|
|
delta_h 0 kcal
|
|
-gamma 5 0
|
|
Cu+ + 2 Cl- = CuCl2-
|
|
log_k 5.5
|
|
delta_h -0.42 kcal
|
|
-gamma 4 0
|
|
Cu+ + 3 Cl- = CuCl3-2
|
|
log_k 5.7
|
|
delta_h 0.26 kcal
|
|
-gamma 5 0
|
|
Cu+ + 2 HS- = Cu(S4)2-3 + 2 H+
|
|
log_k 3.39
|
|
delta_h 0 kcal
|
|
-gamma 23 0
|
|
-no_check
|
|
-mass_balance Cu(1)(S(-2)4)2
|
|
Cu+ + 2 HS- = CuS4S5-3 + 2 H+
|
|
log_k 2.66
|
|
delta_h 0 kcal
|
|
-gamma 25 0
|
|
-no_check
|
|
-mass_balance Cu(1)S(-2)4S(-2)5
|
|
Cu+2 + Acetate- = CuAcetate+
|
|
log_k 2.22
|
|
delta_h 0 kcal
|
|
Cu+2 + Glycine- = CuGlycine+
|
|
log_k 8.62
|
|
delta_h 0 kcal
|
|
2 Cu+2 + Glycine- = Cu2Glycine+3
|
|
log_k 15.64
|
|
delta_h 0 kcal
|
|
Cu+2 + Salicylate-2 = CuSalicylate
|
|
log_k 10.64
|
|
delta_h 0 kcal
|
|
2 Cu+2 + Salicylate-2 = Cu2Salicylate+2
|
|
log_k 16.94
|
|
delta_h 0 kcal
|
|
Cu+2 + Glutamate-2 = CuGlutamate
|
|
log_k 8.33
|
|
delta_h 0 kcal
|
|
2 Cu+2 + Glutamate-2 = Cu2Glutamate+2
|
|
log_k 14.84
|
|
delta_h 0 kcal
|
|
2 Cu+2 + Phthalate-2 = Cu2Phthalate+2
|
|
log_k 5.3
|
|
delta_h 0 kcal
|
|
Cu+2 + CO3-2 = CuCO3
|
|
log_k 6.73
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 CO3-2 = Cu(CO3)2-2
|
|
log_k 9.83
|
|
delta_h 0 kcal
|
|
Cu+2 + Cl- = CuCl+
|
|
log_k 0.43
|
|
delta_h 8.65 kcal
|
|
-gamma 4 0
|
|
Cu+2 + 2 Cl- = CuCl2
|
|
log_k 0.16
|
|
delta_h 10.56 kcal
|
|
Cu+2 + 3 Cl- = CuCl3-
|
|
log_k -2.29
|
|
delta_h 13.69 kcal
|
|
-gamma 4 0
|
|
Cu+2 + 4 Cl- = CuCl4-2
|
|
log_k -4.59
|
|
delta_h 7.78 kcal
|
|
-gamma 5 0
|
|
Cu+2 + F- = CuF+
|
|
log_k 1.26
|
|
delta_h 1.62 kcal
|
|
Cu+2 + H2O = CuOH+ + H+
|
|
log_k -8
|
|
delta_h 0 kcal
|
|
-gamma 4 0
|
|
Cu+2 + 2 H2O = Cu(OH)2 + 2 H+
|
|
log_k -13.68
|
|
delta_h 0 kcal
|
|
Cu+2 + 3 H2O = Cu(OH)3- + 3 H+
|
|
log_k -26.899
|
|
delta_h 0 kcal
|
|
Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+
|
|
log_k -39.6
|
|
delta_h 0 kcal
|
|
2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+
|
|
log_k -10.359
|
|
delta_h 17.539 kcal
|
|
-analytical 2.497 0 -3833
|
|
Cu+2 + SO4-2 = CuSO4
|
|
log_k 2.31
|
|
delta_h 1.22 kcal
|
|
Cu+2 + 3 HS- = Cu(HS)3-
|
|
log_k 25.899
|
|
delta_h 0 kcal
|
|
Cu+2 + CO3-2 + H+ = CuHCO3+
|
|
log_k 13
|
|
delta_h 0 kcal
|
|
Zn+2 + Cl- = ZnCl+
|
|
log_k 0.43
|
|
delta_h 7.79 kcal
|
|
-gamma 4 0
|
|
Zn+2 + 2 Cl- = ZnCl2
|
|
log_k 0.45
|
|
delta_h 8.5 kcal
|
|
Zn+2 + 3 Cl- = ZnCl3-
|
|
log_k 0.5
|
|
delta_h 9.56 kcal
|
|
-gamma 4 0
|
|
Zn+2 + 4 Cl- = ZnCl4-2
|
|
log_k 0.199
|
|
delta_h 10.96 kcal
|
|
-gamma 5 0
|
|
Zn+2 + F- = ZnF+
|
|
log_k 1.15
|
|
delta_h 2.22 kcal
|
|
Zn+2 + H2O = ZnOH+ + H+
|
|
log_k -8.96
|
|
delta_h 13.399 kcal
|
|
Zn+2 + 2 H2O = Zn(OH)2 + 2 H+
|
|
log_k -16.899
|
|
delta_h 0 kcal
|
|
Zn+2 + 3 H2O = Zn(OH)3- + 3 H+
|
|
log_k -28.399
|
|
delta_h 0 kcal
|
|
Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+
|
|
log_k -41.199
|
|
delta_h 0 kcal
|
|
Zn+2 + H2O + Cl- = ZnOHCl + H+
|
|
log_k -7.48
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 HS- = Zn(HS)2
|
|
log_k 14.94
|
|
delta_h 0 kcal
|
|
Zn+2 + 3 HS- = Zn(HS)3-
|
|
log_k 16.1
|
|
delta_h 0 kcal
|
|
Zn+2 + SO4-2 = ZnSO4
|
|
log_k 2.37
|
|
delta_h 1.36 kcal
|
|
Zn+2 + 2 SO4-2 = Zn(SO4)2-2
|
|
log_k 3.28
|
|
delta_h 0 kcal
|
|
Zn+2 + Br- = ZnBr+
|
|
log_k -0.58
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Br- = ZnBr2
|
|
log_k -0.98
|
|
delta_h 0 kcal
|
|
Zn+2 + I- = ZnI+
|
|
log_k -2.91
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 I- = ZnI2
|
|
log_k -1.69
|
|
delta_h 0 kcal
|
|
Zn+2 + CO3-2 + H+ = ZnHCO3+
|
|
log_k 12.4
|
|
delta_h 0 kcal
|
|
Zn+2 + CO3-2 = ZnCO3
|
|
log_k 5.3
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 CO3-2 = Zn(CO3)2-2
|
|
log_k 9.63
|
|
delta_h 0 kcal
|
|
Cd+2 + Cl- = CdCl+
|
|
log_k 1.98
|
|
delta_h 0.59 kcal
|
|
Cd+2 + 2 Cl- = CdCl2
|
|
log_k 2.6
|
|
delta_h 1.24 kcal
|
|
Cd+2 + 3 Cl- = CdCl3-
|
|
log_k 2.399
|
|
delta_h 3.9 kcal
|
|
Cd+2 + F- = CdF+
|
|
log_k 1.1
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 F- = CdF2
|
|
log_k 1.5
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 CO3-2 = Cd(CO3)3-4
|
|
log_k 6.22
|
|
delta_h 0 kcal
|
|
Cd+2 + H2O = CdOH+ + H+
|
|
log_k -10.08
|
|
delta_h 13.1 kcal
|
|
Cd+2 + 2 H2O = Cd(OH)2 + 2 H+
|
|
log_k -20.35
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 H2O = Cd(OH)3- + 3 H+
|
|
log_k -33.3
|
|
delta_h 0 kcal
|
|
Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+
|
|
log_k -47.35
|
|
delta_h 0 kcal
|
|
2 Cd+2 + H2O = Cd2OH+3 + H+
|
|
log_k -9.39
|
|
delta_h 10.899 kcal
|
|
Cd+2 + H2O + Cl- = CdOHCl + H+
|
|
log_k -7.404
|
|
delta_h 4.355 kcal
|
|
Cd+2 + NO3- = CdNO3+
|
|
log_k 0.399
|
|
delta_h -5.2 kcal
|
|
Cd+2 + SO4-2 = CdSO4
|
|
log_k 2.46
|
|
delta_h 1.08 kcal
|
|
Cd+2 + HS- = CdHS+
|
|
log_k 10.17
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 HS- = Cd(HS)2
|
|
log_k 16.53
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 HS- = Cd(HS)3-
|
|
log_k 18.71
|
|
delta_h 0 kcal
|
|
Cd+2 + 4 HS- = Cd(HS)4-2
|
|
log_k 20.9
|
|
delta_h 0 kcal
|
|
Cd+2 + Br- = CdBr+
|
|
log_k 2.17
|
|
delta_h -0.81 kcal
|
|
Cd+2 + 2 Br- = CdBr2
|
|
log_k 2.899
|
|
delta_h 0 kcal
|
|
Cd+2 + I- = CdI+
|
|
log_k 2.15
|
|
delta_h -2.37 kcal
|
|
Cd+2 + 2 I- = CdI2
|
|
log_k 3.59
|
|
delta_h 0 kcal
|
|
Cd+2 + CO3-2 + H+ = CdHCO3+
|
|
log_k 12.4
|
|
delta_h 0 kcal
|
|
Cd+2 + CO3-2 = CdCO3
|
|
log_k 5.399
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 SO4-2 = Cd(SO4)2-2
|
|
log_k 3.5
|
|
delta_h 0 kcal
|
|
Pb+2 + Cl- = PbCl+
|
|
log_k 1.6
|
|
delta_h 4.38 kcal
|
|
Pb+2 + 2 Cl- = PbCl2
|
|
log_k 1.8
|
|
delta_h 1.08 kcal
|
|
Pb+2 + 3 Cl- = PbCl3-
|
|
log_k 1.699
|
|
delta_h 2.17 kcal
|
|
Pb+2 + 4 Cl- = PbCl4-2
|
|
log_k 1.38
|
|
delta_h 3.53 kcal
|
|
Pb+2 + 2 CO3-2 = Pb(CO3)2-2
|
|
log_k 10.64
|
|
delta_h 0 kcal
|
|
Pb+2 + F- = PbF+
|
|
log_k 1.25
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 F- = PbF2
|
|
log_k 2.56
|
|
delta_h 0 kcal
|
|
Pb+2 + 3 F- = PbF3-
|
|
log_k 3.42
|
|
delta_h 0 kcal
|
|
Pb+2 + 4 F- = PbF4-2
|
|
log_k 3.1
|
|
delta_h 0 kcal
|
|
Pb+2 + H2O = PbOH+ + H+
|
|
log_k -7.71
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 H2O = Pb(OH)2 + 2 H+
|
|
log_k -17.12
|
|
delta_h 0 kcal
|
|
Pb+2 + 3 H2O = Pb(OH)3- + 3 H+
|
|
log_k -28.06
|
|
delta_h 0 kcal
|
|
2 Pb+2 + H2O = Pb2OH+3 + H+
|
|
log_k -6.36
|
|
delta_h 0 kcal
|
|
Pb+2 + NO3- = PbNO3+
|
|
log_k 1.17
|
|
delta_h 0 kcal
|
|
Pb+2 + SO4-2 = PbSO4
|
|
log_k 2.75
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 HS- = Pb(HS)2
|
|
log_k 15.27
|
|
delta_h 0 kcal
|
|
Pb+2 + 3 HS- = Pb(HS)3-
|
|
log_k 16.57
|
|
delta_h 0 kcal
|
|
3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+
|
|
log_k -23.88
|
|
delta_h 26.5 kcal
|
|
Pb+2 + Br- = PbBr+
|
|
log_k 1.77
|
|
delta_h 2.88 kcal
|
|
Pb+2 + 2 Br- = PbBr2
|
|
log_k 1.44
|
|
delta_h 0 kcal
|
|
Pb+2 + I- = PbI+
|
|
log_k 1.94
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 I- = PbI2
|
|
log_k 3.199
|
|
delta_h 0 kcal
|
|
Pb+2 + CO3-2 = PbCO3
|
|
log_k 7.24
|
|
delta_h 0 kcal
|
|
Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+
|
|
log_k -39.699
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 SO4-2 = Pb(SO4)2-2
|
|
log_k 3.47
|
|
delta_h 0 kcal
|
|
Pb+2 + CO3-2 + H+ = PbHCO3+
|
|
log_k 13.2
|
|
delta_h 0 kcal
|
|
Ni+2 + Br- = NiBr+
|
|
log_k 0.5
|
|
delta_h 0 kcal
|
|
Ni+2 + Cl- = NiCl+
|
|
log_k 0.399
|
|
delta_h 0 kcal
|
|
Ni+2 + F- = NiF+
|
|
log_k 1.3
|
|
delta_h 0 kcal
|
|
Ni+2 + H2O = NiOH+ + H+
|
|
log_k -9.86
|
|
delta_h 12.42 kcal
|
|
Ni+2 + 2 H2O = Ni(OH)2 + 2 H+
|
|
log_k -19
|
|
delta_h 0 kcal
|
|
Ni+2 + 3 H2O = Ni(OH)3- + 3 H+
|
|
log_k -30
|
|
delta_h 0 kcal
|
|
Ni+2 + SO4-2 = NiSO4
|
|
log_k 2.29
|
|
delta_h 1.52 kcal
|
|
Ni+2 + 2 Cl- = NiCl2
|
|
log_k 0.96
|
|
delta_h 0 kcal
|
|
Ni+2 + CO3-2 + H+ = NiHCO3+
|
|
log_k 12.47
|
|
delta_h 0 kcal
|
|
Ni+2 + CO3-2 = NiCO3
|
|
log_k 6.87
|
|
delta_h 0 kcal
|
|
Ni+2 + 2 CO3-2 = Ni(CO3)2-2
|
|
log_k 10.11
|
|
delta_h 0 kcal
|
|
Ni+2 + 2 SO4-2 = Ni(SO4)2-2
|
|
log_k 1.02
|
|
delta_h 0 kcal
|
|
Ni+2 + Acetate- = NiAcetate+
|
|
log_k 1.43
|
|
delta_h 0 kcal
|
|
Ni+2 + Glycine- = NiGlycine+
|
|
log_k 6.18
|
|
delta_h 0 kcal
|
|
2 Ni+2 + Glycine- = Ni2Glycine+3
|
|
log_k 11.13
|
|
delta_h 0 kcal
|
|
Ni+2 + Salicylate-2 = NiSalicylate
|
|
log_k 6.95
|
|
delta_h 0 kcal
|
|
2 Ni+2 + Salicylate-2 = Ni2Salicylate+2
|
|
log_k 11.75
|
|
delta_h 0 kcal
|
|
Ni+2 + Glutamate-2 = NiGlutamate
|
|
log_k 5.9
|
|
delta_h 0 kcal
|
|
2 Ni+2 + Glutamate-2 = Ni2Glutamate+2
|
|
log_k 10.34
|
|
delta_h 0 kcal
|
|
Ni+2 + Phthalate-2 = NiPhthalate
|
|
log_k 2.95
|
|
delta_h 0 kcal
|
|
Ag+ + Br- = AgBr
|
|
log_k 4.24
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Br- = AgBr2-
|
|
log_k 7.28
|
|
delta_h 0 kcal
|
|
Ag+ + Cl- = AgCl
|
|
log_k 3.27
|
|
delta_h -2.68 kcal
|
|
Ag+ + 2 Cl- = AgCl2-
|
|
log_k 5.27
|
|
delta_h -3.93 kcal
|
|
Ag+ + 3 Cl- = AgCl3-2
|
|
log_k 5.29
|
|
delta_h 0 kcal
|
|
Ag+ + 4 Cl- = AgCl4-3
|
|
log_k 5.51
|
|
delta_h 0 kcal
|
|
Ag+ + F- = AgF
|
|
log_k 0.36
|
|
delta_h -2.83 kcal
|
|
Ag+ + HS- = AgHS
|
|
log_k 14.05
|
|
delta_h 0 kcal
|
|
Ag+ + 2 HS- = Ag(HS)2-
|
|
log_k 18.45
|
|
delta_h 0 kcal
|
|
Ag+ + I- = AgI
|
|
log_k 6.6
|
|
delta_h 0 kcal
|
|
Ag+ + 2 I- = AgI2-
|
|
log_k 10.68
|
|
delta_h 0 kcal
|
|
Ag+ + H2O = AgOH + H+
|
|
log_k -12
|
|
delta_h 0 kcal
|
|
Ag+ + 2 H2O = Ag(OH)2- + 2 H+
|
|
log_k -24
|
|
delta_h 0 kcal
|
|
Ag+ + SO4-2 = AgSO4-
|
|
log_k 1.29
|
|
delta_h 1.49 kcal
|
|
Ag+ + NO3- = AgNO3
|
|
log_k -0.29
|
|
delta_h 0 kcal
|
|
Ag+ + 2 NO2- = Ag(NO2)2-
|
|
log_k 2.22
|
|
delta_h 0 kcal
|
|
Ag+ + 3 Br- = AgBr3-2
|
|
log_k 8.71
|
|
delta_h 0 kcal
|
|
Ag+ + 3 I- = AgI3-2
|
|
log_k 13.37
|
|
delta_h -27.03 kcal
|
|
Ag+ + 4 I- = AgI4-3
|
|
log_k 14.08
|
|
delta_h 0 kcal
|
|
Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+
|
|
log_k 0.991
|
|
delta_h 0 kcal
|
|
-gamma 22 0
|
|
-no_check
|
|
-mass_balance Ag(S(-2)4)2
|
|
Ag+ + 2 HS- = AgS4S5-3 + 2 H+
|
|
log_k 0.68
|
|
delta_h 0 kcal
|
|
-gamma 24 0
|
|
-no_check
|
|
-mass_balance AgS(-2)4S(-2)5
|
|
Ag+ + 2 HS- = Ag(HS)S4-2 + H+
|
|
log_k 10.431
|
|
delta_h 0 kcal
|
|
-gamma 15 0
|
|
-no_check
|
|
-mass_balance Ag(HS(-2))S(-2)4
|
|
H3AsO3 = H2AsO3- + H+
|
|
log_k -9.228
|
|
delta_h 6.56 kcal
|
|
H3AsO3 = HAsO3-2 + 2 H+
|
|
log_k -21.33
|
|
delta_h 14.199 kcal
|
|
H3AsO3 = AsO3-3 + 3 H+
|
|
log_k -34.744
|
|
delta_h 20.25 kcal
|
|
H3AsO3 + H+ = H4AsO3+
|
|
log_k -0.305
|
|
delta_h 0 kcal
|
|
H3AsO4 = H2AsO4- + H+
|
|
log_k -2.243
|
|
delta_h -1.69 kcal
|
|
H3AsO4 = HAsO4-2 + 2 H+
|
|
log_k -9.001
|
|
delta_h -0.92 kcal
|
|
H3AsO4 = AsO4-3 + 3 H+
|
|
log_k -20.597
|
|
delta_h 3.43 kcal
|
|
Sb(OH)3 = HSbO2 + H2O
|
|
log_k -0.0073
|
|
delta_h -0.015 kcal
|
|
Sb(OH)3 + F- + H+ = SbOF + 2 H2O
|
|
log_k 6.1864
|
|
delta_h 0 kcal
|
|
Sb(OH)3 + F- + H+ = Sb(OH)2F + H2O
|
|
log_k 6.1937
|
|
delta_h 0 kcal
|
|
Sb(OH)3 + H+ = SbO+ + 2 H2O
|
|
log_k 0.9228
|
|
delta_h 1.97 kcal
|
|
Sb(OH)3 = SbO2- + H2O + H+
|
|
log_k -11.8011
|
|
delta_h 16.775 kcal
|
|
Sb(OH)3 + H+ = Sb(OH)2+ + H2O
|
|
log_k 1.3853
|
|
delta_h 0 kcal
|
|
2 Sb(OH)3 + 4 HS- + 2 H+ = Sb2S4-2 + 6 H2O
|
|
log_k 49.3005
|
|
delta_h -75.68 kcal
|
|
Sb(OH)6- = SbO3- + 3 H2O
|
|
log_k 2.9319
|
|
delta_h 0 kcal
|
|
Sb(OH)6- + 2 H+ = SbO2+ + 4 H2O
|
|
log_k 2.3895
|
|
delta_h 0 kcal
|
|
Sb(OH)3 + H2O = Sb(OH)4- + H+
|
|
log_k -12.0429
|
|
delta_h 16.695 kcal
|
|
CO3-2 + H+ = HCO3-
|
|
log_k 10.33
|
|
delta_h -3.617 kcal
|
|
-gamma 5.4 0
|
|
-analytical -6.498 0.02379 2902.39
|
|
CO3-2 + 2 H+ = H2CO3
|
|
log_k 16.681
|
|
delta_h -2.247 kcal
|
|
SO4-2 + H+ = HSO4-
|
|
log_k 1.987
|
|
delta_h 4.91 kcal
|
|
-gamma 4.5 0
|
|
-analytical -5.3505 0.0183412 557.2461
|
|
F- + H+ = HF
|
|
log_k 3.169
|
|
delta_h 3.46 kcal
|
|
2 F- + H+ = HF2-
|
|
log_k 3.749
|
|
delta_h 4.55 kcal
|
|
-gamma 3.5 0
|
|
2 F- + 2 H+ = H2F2
|
|
log_k 6.768
|
|
delta_h 0 kcal
|
|
PO4-3 + H+ = HPO4-2
|
|
log_k 12.346
|
|
delta_h -3.53 kcal
|
|
-gamma 5 0
|
|
PO4-3 + 2 H+ = H2PO4-
|
|
log_k 19.553
|
|
delta_h -4.52 kcal
|
|
-gamma 5.4 0
|
|
PO4-3 + 3 H+ = H3PO4
|
|
log_k 21.7
|
|
delta_h 0 kcal
|
|
HS- + H+ = H2S
|
|
log_k 6.994
|
|
delta_h -5.3 kcal
|
|
-analytical -11.17 0.02386 3279
|
|
HS- = S-2 + H+
|
|
log_k -12.918
|
|
delta_h 12.1 kcal
|
|
-gamma 5 0
|
|
U+4 + H2O = UOH+3 + H+
|
|
log_k -0.656
|
|
delta_h 11.715 kcal
|
|
-analytical -9.16 0.0285
|
|
U+4 + 2 H2O = U(OH)2+2 + 2 H+
|
|
log_k -2.27
|
|
delta_h 17.73 kcal
|
|
U+4 + 3 H2O = U(OH)3+ + 3 H+
|
|
log_k -4.935
|
|
delta_h 22.645 kcal
|
|
U+4 + 4 H2O = U(OH)4 + 4 H+
|
|
log_k -8.498
|
|
delta_h 24.76 kcal
|
|
U+4 + 5 H2O = U(OH)5- + 5 H+
|
|
log_k -13.12
|
|
delta_h 27.575 kcal
|
|
6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+
|
|
log_k -17.229
|
|
delta_h 0 kcal
|
|
U+4 + F- = UF+3
|
|
log_k 8.659
|
|
delta_h 5.05 kcal
|
|
U+4 + 2 F- = UF2+2
|
|
log_k 14.457
|
|
delta_h 7.2 kcal
|
|
U+4 + 3 F- = UF3+
|
|
log_k 19.115
|
|
delta_h 7.15 kcal
|
|
U+4 + 4 F- = UF4
|
|
log_k 23.64
|
|
delta_h 4.6 kcal
|
|
U+4 + 5 F- = UF5-
|
|
log_k 25.238
|
|
delta_h 4.85 kcal
|
|
U+4 + 6 F- = UF6-2
|
|
log_k 27.718
|
|
delta_h 3.3 kcal
|
|
U+4 + Cl- = UCl+3
|
|
log_k 1.338
|
|
delta_h 9.933 kcal
|
|
U+4 + SO4-2 = USO4+2
|
|
log_k 5.461
|
|
delta_h 3.7 kcal
|
|
U+4 + 2 SO4-2 = U(SO4)2
|
|
log_k 9.749
|
|
delta_h 7.6 kcal
|
|
U+4 + PO4-3 + H+ = UHPO4+2
|
|
log_k 24.443
|
|
delta_h 7.5 kcal
|
|
U+4 + 2 PO4-3 + 2 H+ = U(HPO4)2
|
|
log_k 46.833
|
|
delta_h 1.7 kcal
|
|
U+4 + 3 PO4-3 + 3 H+ = U(HPO4)3-2
|
|
log_k 67.564
|
|
delta_h -7.8 kcal
|
|
U+4 + 4 PO4-3 + 4 H+ = U(HPO4)4-4
|
|
log_k 88.483
|
|
delta_h -26.5 kcal
|
|
UO2+2 + H2O = UO2OH+ + H+
|
|
log_k -5.09
|
|
delta_h 10.216 kcal
|
|
2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+
|
|
log_k -5.645
|
|
delta_h 10.23 kcal
|
|
3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+
|
|
log_k -15.593
|
|
delta_h 25.075 kcal
|
|
UO2+2 + CO3-2 = UO2CO3
|
|
log_k 10.071
|
|
delta_h 0.84 kcal
|
|
-analytical -9.56 0.03434 2809
|
|
UO2+2 + 2 CO3-2 = UO2(CO3)2-2
|
|
log_k 17.008
|
|
delta_h 3.48 kcal
|
|
-analytical 14.14 0.0096
|
|
UO2+2 + 3 CO3-2 = UO2(CO3)3-4
|
|
log_k 21.384
|
|
delta_h -8.78 kcal
|
|
UO2+2 + F- = UO2F+
|
|
log_k 5.105
|
|
delta_h -0.45 kcal
|
|
UO2+2 + 2 F- = UO2F2
|
|
log_k 8.92
|
|
delta_h -0.9 kcal
|
|
UO2+2 + 3 F- = UO2F3-
|
|
log_k 11.364
|
|
delta_h -0.85 kcal
|
|
UO2+2 + 4 F- = UO2F4-2
|
|
log_k 12.607
|
|
delta_h -1.1 kcal
|
|
UO2+2 + Cl- = UO2Cl+
|
|
log_k 0.22
|
|
delta_h 1.233 kcal
|
|
UO2+2 + SO4-2 = UO2SO4
|
|
log_k 2.709
|
|
delta_h 5.1 kcal
|
|
# Minteq a_e has more constants than phreeqc, can not use
|
|
# -analytical 11.384 -0.07088 0.0 0.0 1.40277E-4
|
|
UO2+2 + 2 SO4-2 = UO2(SO4)2-2
|
|
log_k 4.183
|
|
delta_h 6.1 kcal
|
|
# Minteq a_e has more constants than phreeqc, can not use
|
|
# -analytical 12.130 -0.068297 0.0 0.0 1.3987E-04
|
|
UO2+2 + PO4-3 + H+ = UO2HPO4
|
|
log_k 20.814
|
|
delta_h -2.1 kcal
|
|
UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2
|
|
log_k 42.988
|
|
delta_h -11.399 kcal
|
|
UO2+2 + PO4-3 + 2 H+ = UO2H2PO4+
|
|
log_k 22.643
|
|
delta_h -3.7 kcal
|
|
UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2
|
|
log_k 44.7
|
|
delta_h -16.5 kcal
|
|
UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3-
|
|
log_k 66.245
|
|
delta_h -28.6 kcal
|
|
UO2+2 + H4SiO4 = UO2H3SiO4+ + H+
|
|
log_k -2.4
|
|
delta_h 0 kcal
|
|
HS- = S2-2 + H+
|
|
log_k -14.528
|
|
delta_h 11.4 kcal
|
|
-no_check
|
|
-mass_balance S(-2)2
|
|
HS- = S3-2 + H+
|
|
log_k -13.282
|
|
delta_h 10.4 kcal
|
|
-no_check
|
|
-mass_balance S(-2)3
|
|
HS- = S4-2 + H+
|
|
log_k -9.829
|
|
delta_h 9.7 kcal
|
|
-no_check
|
|
-mass_balance S(-2)4
|
|
HS- = S5-2 + H+
|
|
log_k -9.595
|
|
delta_h 9.3 kcal
|
|
-no_check
|
|
-mass_balance S(-2)5
|
|
HS- = S6-2 + H+
|
|
log_k -9.881
|
|
delta_h 0 kcal
|
|
-no_check
|
|
-mass_balance S(-2)6
|
|
V+2 + H2O = VOH+ + H+
|
|
log_k -5.64
|
|
delta_h 0 kcal
|
|
V+3 + H2O = VOH+2 + H+
|
|
log_k -2.3
|
|
delta_h 9.35 kcal
|
|
V+3 + 2 H2O = V(OH)2+ + 2 H+
|
|
log_k -5.83
|
|
delta_h 0 kcal
|
|
V+3 + 3 H2O = V(OH)3 + 3 H+
|
|
log_k -11.02
|
|
delta_h 0 kcal
|
|
V+3 + SO4-2 = VSO4+
|
|
log_k 1.44
|
|
delta_h 0 kcal
|
|
2 V+3 + 3 H2O = V2(OH)3+3 + 3 H+
|
|
log_k -7.5
|
|
delta_h 0 kcal
|
|
2 V+3 + 2 H2O = V2(OH)2+4 + 2 H+
|
|
log_k -3.75
|
|
delta_h 0 kcal
|
|
VO+2 + 2 H2O = V(OH)3+ + H+
|
|
log_k -5.67
|
|
delta_h 0 kcal
|
|
2 VO+2 + 2 H2O = H2V2O4+2 + 2 H+
|
|
log_k -6.44
|
|
delta_h 0 kcal
|
|
VO+2 + F- = VOF+
|
|
log_k 3.34
|
|
delta_h 1.9 kcal
|
|
VO+2 + 2 F- = VOF2
|
|
log_k 5.74
|
|
delta_h 3.5 kcal
|
|
VO+2 + 3 F- = VOF3-
|
|
log_k 7.3
|
|
delta_h 4.9 kcal
|
|
VO+2 + 4 F- = VOF4-2
|
|
log_k 8.11
|
|
delta_h 6.4 kcal
|
|
VO+2 + SO4-2 = VOSO4
|
|
log_k 2.45
|
|
delta_h 3.72 kcal
|
|
VO+2 + Cl- = VOCl+
|
|
log_k 0.02
|
|
delta_h 0 kcal
|
|
VO2+ + 2 H2O = H3VO4 + H+
|
|
log_k -3.3
|
|
delta_h 10.63 kcal
|
|
VO2+ + 2 H2O = H2VO4- + 2 H+
|
|
log_k -7.09
|
|
delta_h 11.33 kcal
|
|
VO2+ + 2 H2O = HVO4-2 + 3 H+
|
|
log_k -15.15
|
|
delta_h 14.93 kcal
|
|
VO2+ + 2 H2O = VO4-3 + 4 H+
|
|
log_k -28.4
|
|
delta_h 19.53 kcal
|
|
2 VO2+ + 3 H2O = V2O7-4 + 6 H+
|
|
log_k -29.08
|
|
delta_h 0 kcal
|
|
2 VO2+ + 3 H2O = HV2O7-3 + 5 H+
|
|
log_k -16.32
|
|
delta_h 0 kcal
|
|
2 VO2+ + 3 H2O = H3V2O7- + 3 H+
|
|
log_k -3.79
|
|
delta_h 0 kcal
|
|
3 VO2+ + 3 H2O = V3O9-3 + 6 H+
|
|
log_k -15.88
|
|
delta_h 0 kcal
|
|
4 VO2+ + 4 H2O = V4O12-4 + 8 H+
|
|
log_k -20.79
|
|
delta_h 0 kcal
|
|
10 VO2+ + 8 H2O = V10O28-6 + 16 H+
|
|
log_k -17.53
|
|
delta_h 0 kcal
|
|
10 VO2+ + 8 H2O = HV10O28-5 + 15 H+
|
|
log_k -11.35
|
|
delta_h 21.52 kcal
|
|
10 VO2+ + 8 H2O = H2V10O28-4 + 14 H+
|
|
log_k -7.71
|
|
delta_h 0 kcal
|
|
VO2+ + F- = VO2F
|
|
log_k 3.12
|
|
delta_h 0 kcal
|
|
VO2+ + 2 F- = VO2F2-
|
|
log_k 5.67
|
|
delta_h 0 kcal
|
|
VO2+ + 3 F- = VO2F3-2
|
|
log_k 6.97
|
|
delta_h 0 kcal
|
|
VO2+ + 4 F- = VO2F4-3
|
|
log_k 7.07
|
|
delta_h 0 kcal
|
|
VO2+ + SO4-2 = VO2SO4-
|
|
log_k 1.71
|
|
delta_h 0 kcal
|
|
VO2+ + NO3- = VO2NO3
|
|
log_k -0.43
|
|
delta_h 0 kcal
|
|
Tl+ + H2O = TlOH + H+
|
|
log_k -13.1717
|
|
delta_h 13.935 kcal
|
|
Tl+ + F- = TlF
|
|
log_k -0.4251
|
|
delta_h 0 kcal
|
|
Tl+ + Cl- = TlCl
|
|
log_k 0.6824
|
|
delta_h -1.147 kcal
|
|
Tl+ + 2 Cl- = TlCl2-
|
|
log_k 0.2434
|
|
delta_h 0 kcal
|
|
Tl+ + Br- = TlBr
|
|
log_k 0.9477
|
|
delta_h -2.461 kcal
|
|
Tl+ + 2 Br- = TlBr2-
|
|
log_k 0.9719
|
|
delta_h 2.998 kcal
|
|
Tl+ + Br- + Cl- = TlBrCl-
|
|
log_k 0.8165
|
|
delta_h 0 kcal
|
|
Tl+ + I- = TlI
|
|
log_k 1.4279
|
|
delta_h 0 kcal
|
|
Tl+ + 2 I- = TlI2-
|
|
log_k 1.8588
|
|
delta_h 0 kcal
|
|
Tl+ + I- + Br- = TlIBr-
|
|
log_k 2.185
|
|
delta_h 0 kcal
|
|
Tl+ + SO4-2 = TlSO4-
|
|
log_k 1.3853
|
|
delta_h -0.22 kcal
|
|
Tl+ + NO3- = TlNO3
|
|
log_k 0.3665
|
|
delta_h -0.65 kcal
|
|
Tl+ + NO2- = TlNO2
|
|
log_k 0.9969
|
|
delta_h 0 kcal
|
|
Tl+ + HS- = TlHS
|
|
log_k 1.8178
|
|
delta_h 0 kcal
|
|
2 Tl+ + HS- = Tl2HS+
|
|
log_k 7.6979
|
|
delta_h 0 kcal
|
|
2 Tl+ + 3 HS- + H2O = Tl2OH(HS)3-2 + H+
|
|
log_k 1.0044
|
|
delta_h 0 kcal
|
|
2 Tl+ + 2 HS- + 2 H2O = Tl2(OH)2(HS)2-2 + 2 H+
|
|
log_k -11.0681
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + 3 H+ = Tl+3 + 3 H2O
|
|
log_k 4.7424
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + 2 H+ = TlOH+2 + 2 H2O
|
|
log_k 3.577
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + H+ = Tl(OH)2+ + H2O
|
|
log_k 2.1183
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + H2O = Tl(OH)4- + H+
|
|
log_k -10.2545
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + Cl- + 3 H+ = TlCl+2 + 3 H2O
|
|
log_k 12.2342
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + 2 Cl- + 3 H+ = TlCl2+ + 3 H2O
|
|
log_k 18.0402
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + 3 Cl- + 3 H+ = TlCl3 + 3 H2O
|
|
log_k 21.4273
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + 4 Cl- + 3 H+ = TlCl4- + 3 H2O
|
|
log_k 24.2281
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + Br- + 3 H+ = TlBr+2 + 3 H2O
|
|
log_k 14.2221
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + 2 Br- + 3 H+ = TlBr2+ + 3 H2O
|
|
log_k 21.5761
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + 3 Br- + 3 H+ = TlBr3 + 3 H2O
|
|
log_k 27.0244
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + 4 Br- + 3 H+ = TlBr4- + 3 H2O
|
|
log_k 31.1533
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + 4 I- + 3 H+ = TlI4- + 3 H2O
|
|
log_k 34.7596
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + NO3- + 3 H+ = TlNO3+2 + 3 H2O
|
|
log_k 7.0073
|
|
delta_h 0 kcal
|
|
Tl(OH)3 + Cl- + 2 H+ = TlOHCl+ + 2 H2O
|
|
log_k 10.629
|
|
delta_h 0 kcal
|
|
HSe- = Se-2 + H+
|
|
log_k -14.9529
|
|
delta_h 11.5 kcal
|
|
HSe- + H+ = H2Se
|
|
log_k 3.8115
|
|
delta_h 0.8 kcal
|
|
HSe- + Mn+2 = MnSe + H+
|
|
log_k -6.7435
|
|
delta_h 0 kcal
|
|
HSe- + 2 Ag+ = Ag2Se + H+
|
|
log_k 34.0677
|
|
delta_h 0 kcal
|
|
2 HSe- + Ag+ + H2O = AgOH(Se)2-4 + 3 H+
|
|
log_k -18.6237
|
|
delta_h 0 kcal
|
|
HSeO3- = SeO3-2 + H+
|
|
log_k -8.48
|
|
delta_h 1.28 kcal
|
|
HSeO3- + H+ = H2SeO3
|
|
log_k 2.65
|
|
delta_h 1.69 kcal
|
|
HSeO3- + Fe+3 = FeHSeO3+2
|
|
log_k 3.61
|
|
delta_h 0 kcal
|
|
HSeO3- + Ag+ = AgSeO3- + H+
|
|
log_k -5.5985
|
|
delta_h 0 kcal
|
|
2 HSeO3- + Ag+ = Ag(SeO3)2-3 + 2 H+
|
|
log_k -13.2
|
|
delta_h 0 kcal
|
|
2 HSeO3- + Cd+2 = Cd(SeO3)2-2 + 2 H+
|
|
log_k -11.189
|
|
delta_h 0 kcal
|
|
SeO4-2 + H+ = HSeO4-
|
|
log_k 1.9058
|
|
delta_h 4.2 kcal
|
|
SeO4-2 + Mn+2 = MnSeO4
|
|
log_k 2.4188
|
|
delta_h 3.46 kcal
|
|
SeO4-2 + Ni+2 = NiSeO4
|
|
log_k 2.6387
|
|
delta_h 3.5 kcal
|
|
SeO4-2 + Cd+2 = CdSeO4
|
|
log_k 2.2415
|
|
delta_h 0 kcal
|
|
SeO4-2 + Zn+2 = ZnSeO4
|
|
log_k 2.2019
|
|
delta_h 0 kcal
|
|
2 SeO4-2 + Zn+2 = Zn(SeO4)2-2
|
|
log_k -0.0704
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 H+ = Hg+2 + 2 H2O
|
|
log_k 6.097
|
|
delta_h -11.06 kcal
|
|
Hg(OH)2 + Br- + 2 H+ = HgBr+ + 2 H2O
|
|
log_k 15.8347
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 Br- + 2 H+ = HgBr2 + 2 H2O
|
|
log_k 23.6065
|
|
delta_h -30.832 kcal
|
|
Hg(OH)2 + 2 H+ + 3 Br- = HgBr3- + 2 H2O
|
|
log_k 25.7857
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 H+ + 4 Br- = HgBr4-2 + 2 H2O
|
|
log_k 27.0633
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + Br- + Cl- + 2 H+ = HgBrCl + 2 H2O
|
|
log_k 22.0145
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + Br- + I- + 2 H+ = HgBrI + 2 H2O
|
|
log_k 27.1212
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + Br- + 3 I- + 2 H+ = HgBrI3-2 + 2 H2O
|
|
log_k 34.2135
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 Br- + 2 I- + 2 H+ = HgBr2I2-2 + 2 H2O
|
|
log_k 32.3994
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 3 Br- + I- + 2 H+ = HgBr3I-2 + 2 H2O
|
|
log_k 30.1528
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + Br- + H+ = HgBrOH + H2O
|
|
log_k 11.598
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + Cl- + 2 H+ = HgCl+ + 2 H2O
|
|
log_k 12.85
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 Cl- + 2 H+ = HgCl2 + 2 H2O
|
|
log_k 19.2203
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 3 Cl- + 2 H+ = HgCl3- + 2 H2O
|
|
log_k 20.1226
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 4 Cl- + 2 H+ = HgCl4-2 + 2 H2O
|
|
log_k 20.5338
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + Cl- + I- + 2 H+ = HgClI + 2 H2O
|
|
log_k 25.3532
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + Cl- + H+ = HgClOH + H2O
|
|
log_k 9.317
|
|
delta_h -12.482 kcal
|
|
Hg(OH)2 + F- + 2 H+ = HgF+ + 2 H2O
|
|
log_k 8.0848
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + I- + 2 H+ = HgI+ + 2 H2O
|
|
log_k 18.8949
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 I- + 2 H+ = HgI2 + 2 H2O
|
|
log_k 30.1081
|
|
delta_h -44.522 kcal
|
|
Hg(OH)2 + 3 I- + 2 H+ = HgI3- + 2 H2O
|
|
log_k 33.7935
|
|
delta_h -47.943 kcal
|
|
Hg(OH)2 + 4 I- + 2 H+ = HgI4-2 + 2 H2O
|
|
log_k 35.7858
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + NH4+ + H+ = HgNH3+2 + 2 H2O
|
|
log_k 5.6139
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 NH4+ = Hg(NH3)2+2 + 2 H2O
|
|
log_k 5.0341
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 3 NH4+ = Hg(NH3)3+2 + H+ + 2 H2O
|
|
log_k -3.2493
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 4 NH4+ = Hg(NH3)4+2 + 2 H+ + 2 H2O
|
|
log_k -11.7307
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + NO3- + 2 H+ = HgNO3+ + 2 H2O
|
|
log_k 6.4503
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 NO3- + 2 H+ = Hg(NO3)2 + 2 H2O
|
|
log_k 4.7791
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + H+ = HgOH+ + H2O
|
|
log_k 2.6974
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + H2O = Hg(OH)3- + H+
|
|
log_k -15.0042
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 HS- = HgS2-2 + 2 H2O
|
|
log_k 31.2398
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 HS- + 2 H+ = Hg(HS)2 + 2 H2O
|
|
log_k 43.8178
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + SO4-2 + 2 H+ = HgSO4 + 2 H2O
|
|
log_k 7.4911
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 2 H+ = Cr+3 + 2 H2O
|
|
log_k 9.62
|
|
delta_h -20.14 kcal
|
|
Cr(OH)2+ + H+ = Cr(OH)+2 + H2O
|
|
log_k 5.62
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + H2O = Cr(OH)3 + H+
|
|
log_k -7.13
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 2 H2O = Cr(OH)4- + 2 H+
|
|
log_k -18.15
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ = CrO2- + 2 H+
|
|
log_k -17.7456
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + Br- + 2 H+ = CrBr+2 + 2 H2O
|
|
log_k 7.5519
|
|
delta_h -11.211 kcal
|
|
Cr(OH)2+ + Cl- + 2 H+ = CrCl+2 + 2 H2O
|
|
log_k 9.3683
|
|
delta_h -13.847 kcal
|
|
Cr(OH)2+ + 2 Cl- + 2 H+ = CrCl2+ + 2 H2O
|
|
log_k 8.658
|
|
delta_h -9.374 kcal
|
|
Cr(OH)2+ + 2 Cl- + H+ = CrOHCl2 + H2O
|
|
log_k 2.9627
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + F- + 2 H+ = CrF+2 + 2 H2O
|
|
log_k 14.5424
|
|
delta_h -16.789 kcal
|
|
Cr(OH)2+ + I- + 2 H+ = CrI+2 + 2 H2O
|
|
log_k 4.8289
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 6 NH4+ = Cr(NH3)6+3 + 4 H+ + 2 H2O
|
|
log_k -32.5709
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 5 NH4+ = Cr(NH3)5OH+2 + 4 H+ + H2O
|
|
log_k -30.2759
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 4 NH4+ = Cr(NH3)4(OH)2+ + 4 H+
|
|
log_k -29.8574
|
|
delta_h 0 kcal
|
|
# Don't know difference with previous species
|
|
# MINTEQ had "CCrNH3)4OH2" for one and "TCrNH3)4OH2"
|
|
# Equations were the same.
|
|
# Cis and Trans??
|
|
#Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+
|
|
# log_k -30.5537
|
|
# delta_h 0 kcal
|
|
Cr(OH)2+ + 6 NH4+ + Cl- = Cr(NH3)6Cl+2 + 2 H2O + 4 H+
|
|
log_k -31.7932
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 6 NH4+ + Br- = Cr(NH3)6Br+2 + 4 H+ + 2 H2O
|
|
log_k -31.887
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 6 NH4+ + I- = Cr(NH3)6I+2 + 4 H+ + 2 H2O
|
|
log_k -32.008
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + NO3- + 2 H+ = CrNO3+2 + 2 H2O
|
|
log_k 8.2094
|
|
delta_h -15.64 kcal
|
|
Cr(OH)2+ + 4 H+ + PO4-3 = CrH2PO4+2 + 2 H2O
|
|
log_k 31.9068
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + SO4-2 + 2 H+ = CrSO4+ + 2 H2O
|
|
log_k 10.9654
|
|
delta_h -12.62 kcal
|
|
Cr(OH)2+ + SO4-2 + H+ = CrOHSO4 + H2O
|
|
log_k 8.2754
|
|
delta_h 0 kcal
|
|
2 Cr(OH)2+ + 2 SO4-2 + 2 H+ = Cr2(OH)2(SO4)2 + 2 H2O
|
|
log_k 14.5278
|
|
delta_h 0 kcal
|
|
# Not sure about these two species
|
|
# One was "Cr2OH2SO4)S" other was "Cr2OH2SO42"
|
|
# Equation was the same
|
|
#2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O
|
|
# log_k 17.9288
|
|
# delta_h 0 kcal
|
|
2 Cr(OH)2+ + SO4-2 + 2 H+ = Cr2(OH)2SO4+2 + 2 H2O
|
|
log_k 16.155
|
|
delta_h 0 kcal
|
|
CrO4-2 + H+ = HCrO4-
|
|
log_k 6.5089
|
|
delta_h 0.9 kcal
|
|
CrO4-2 + 2 H+ = H2CrO4
|
|
log_k 5.6513
|
|
delta_h 0 kcal
|
|
2 CrO4-2 + 2 H+ = Cr2O7-2 + H2O
|
|
log_k 14.5571
|
|
delta_h -2.995 kcal
|
|
CrO4-2 + Cl- + 2 H+ = CrO3Cl- + H2O
|
|
log_k 7.3086
|
|
delta_h 0 kcal
|
|
CrO4-2 + 4 H+ + PO4-3 = CrO3H2PO4- + H2O
|
|
log_k 29.3634
|
|
delta_h 0 kcal
|
|
CrO4-2 + 3 H+ + PO4-3 = CrO3HPO4-2 + H2O
|
|
log_k 26.6806
|
|
delta_h 0 kcal
|
|
CrO4-2 + SO4-2 + 2 H+ = CrO3SO4-2 + H2O
|
|
log_k 8.9937
|
|
delta_h 0 kcal
|
|
CrO4-2 + Na+ = NaCrO4-
|
|
log_k 0.6963
|
|
delta_h 0 kcal
|
|
CrO4-2 + K+ = KCrO4-
|
|
log_k 0.799
|
|
delta_h 0 kcal
|
|
Ba+2 + Fe+3 + 6 Cyanide- = BaFe(Cyanide)6-
|
|
log_k 55.4356
|
|
delta_h -69.68 kcal
|
|
Ca+2 + H+ + Fe+2 + 6 Cyanide- + e- = CaHFe(Cyanide)6-2
|
|
log_k 52.7097
|
|
delta_h -82 kcal
|
|
K+ + Fe+2 + 6 Cyanide- = KFe(Cyanide)6-3
|
|
log_k 48.1204
|
|
delta_h -84 kcal
|
|
2 K+ + Fe+2 + 6 Cyanide- = K2Fe(Cyanide)6-2
|
|
log_k 48.978
|
|
delta_h -77.3 kcal
|
|
K+ + H+ + Fe+2 + 6 Cyanide- = KHFe(Cyanide)6-2
|
|
log_k 51.4702
|
|
delta_h -78.1 kcal
|
|
2 Li+ + Fe+2 + 6 Cyanide- = Li2Fe(Cyanide)6-2
|
|
log_k 48.5338
|
|
delta_h -83.498 kcal
|
|
Li+ + H+ + Fe+2 + 6 Cyanide- = LiHFe(Cyanide)6-2
|
|
log_k 51.2188
|
|
delta_h -80.999 kcal
|
|
NH4+ + Fe+2 + 6 Cyanide- = NH4Fe(Cyanide)6-3
|
|
log_k 48.0684
|
|
delta_h -84.5 kcal
|
|
NH4+ + H+ + Fe+2 + 6 Cyanide- = NH5Fe(Cyanide)6-2
|
|
log_k 51.4035
|
|
delta_h -83.9 kcal
|
|
Na+ + Fe+2 + 6 Cyanide- = NaFe(Cyanide)6-3
|
|
log_k 47.9885
|
|
delta_h -84.9 kcal
|
|
2 Na+ + Fe+2 + 6 Cyanide- = Na2Fe(Cyanide)6-2
|
|
log_k 48.7435
|
|
delta_h -85 kcal
|
|
Na+ + H+ + Fe+2 + 6 Cyanide- = NaHFe(Cyanide)6-2
|
|
log_k 51.4335
|
|
delta_h -85.6 kcal
|
|
2 NH4+ + Fe+2 + 6 Cyanide- = (NH4)2FeCyanide6-2
|
|
log_k 48.8666
|
|
delta_h -83 kcal
|
|
Cyanide- + Ag+ + H2O = Ag(Cyanide)OH- + H+
|
|
log_k -0.56
|
|
delta_h 0 kcal
|
|
2 Cyanide- + Ag+ = Ag(Cyanide)2-
|
|
log_k 20.3814
|
|
delta_h -32.675 kcal
|
|
6 Cyanide- + 2 K+ + 2 H+ + Fe+2 = K2H2Fe(Cyanide)6
|
|
log_k 52.3058
|
|
delta_h -85.86 kcal
|
|
6 Cyanide- + Ca+2 + Fe+3 = CaFe(Cyanide)6-
|
|
log_k 55.473
|
|
delta_h -69.5 kcal
|
|
6 Cyanide- + Ca+2 + Fe+2 = CaFe(Cyanide)6-2
|
|
log_k 49.6898
|
|
delta_h -83.1 kcal
|
|
6 Cyanide- + 2 Ca+2 + Fe+2 = Ca2Fe(Cyanide)6
|
|
log_k 50.9952
|
|
delta_h -83.7 kcal
|
|
Cyanide- + Cd+2 = CdCyanide+
|
|
log_k 5.32
|
|
delta_h 0 kcal
|
|
2 Cyanide- + Cd+2 = Cd(Cyanide)2
|
|
log_k 10.3703
|
|
delta_h -13 kcal
|
|
3 Cyanide- + Cd+2 = Cd(Cyanide)3-
|
|
log_k 14.8341
|
|
delta_h -21.6 kcal
|
|
4 Cyanide- + Cd+2 = Cd(Cyanide)4-2
|
|
log_k 18.2938
|
|
delta_h -23.56 kcal
|
|
4 Cyanide- + Cu+ = Cu(Cyanide)4-3
|
|
log_k 30.3456
|
|
delta_h -51.4 kcal
|
|
2 Cyanide- + Cu+ = Cu(Cyanide)2-
|
|
log_k 24.0272
|
|
delta_h -29.1 kcal
|
|
3 Cyanide- + Cu+ = Cu(Cyanide)3-2
|
|
log_k 28.6524
|
|
delta_h -40.2 kcal
|
|
6 Cyanide- + Fe+2 = Fe(Cyanide)6-4
|
|
log_k 45.6063
|
|
delta_h -85.8 kcal
|
|
6 Cyanide- + Fe+2 + H+ = HFe(Cyanide)6-3
|
|
log_k 49.9969
|
|
delta_h -84.16 kcal
|
|
6 Cyanide- + 2 H+ + Fe+2 = H2Fe(Cyanide)6-2
|
|
log_k 52.445
|
|
delta_h -83.1 kcal
|
|
6 Cyanide- + Fe+3 = Fe(Cyanide)6-3
|
|
log_k 52.6283
|
|
delta_h -70.1 kcal
|
|
Cyanide- + H+ = HCyanide
|
|
log_k 9.2356
|
|
delta_h -10.4 kcal
|
|
Cyanate- + H+ = HCyanate
|
|
log_k 3.445
|
|
delta_h -2 kcal
|
|
Cyanide- + Hg(OH)2 + 2 H+ = HgCyanide+ + 2 H2O
|
|
log_k 24.1738
|
|
delta_h -33.83 kcal
|
|
2 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)2 + 2 H2O
|
|
log_k 40.6513
|
|
delta_h -57.24 kcal
|
|
3 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3- + 2 H2O
|
|
log_k 44.4042
|
|
delta_h -64.83 kcal
|
|
4 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)4-2 + 2 H2O
|
|
log_k 47.4094
|
|
delta_h -69.93 kcal
|
|
2 Cyanide- + Cl- + Hg(OH)2 + 2 H+ = Hg(Cyanide)2Cl- + 2 H2O
|
|
log_k 40.3735
|
|
delta_h 0 kcal
|
|
3 Cyanide- + Cl- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3Cl-2 + 2 H2O
|
|
log_k 43.8332
|
|
delta_h 0 kcal
|
|
3 Cyanide- + Br- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3Br-2 + 2 H2O
|
|
log_k 44.9415
|
|
delta_h 0 kcal
|
|
Cyanide- + 2 I- = I2Cyanide- + 2 e-
|
|
log_k -11.848
|
|
delta_h 0 kcal
|
|
2 Cyanide- + I- = I(Cyanide)2- + 2 e-
|
|
log_k -11.458
|
|
delta_h 0 kcal
|
|
6 Cyanide- + 3 K+ + H+ + Fe+2 = K3HFe(Cyanide)6
|
|
log_k 50.2241
|
|
delta_h -85.99 kcal
|
|
6 Cyanide- + Li+ + Fe+2 = LiFe(Cyanide)6-3
|
|
log_k 47.6858
|
|
delta_h -80.149 kcal
|
|
6 Cyanide- + Mg+2 + Fe+3 = MgFe(Cyanide)6-
|
|
log_k 55.3916
|
|
delta_h -69.31 kcal
|
|
6 Cyanide- + Mg+2 + Fe+2 = MgFe(Cyanide)6-2
|
|
log_k 49.4251
|
|
delta_h 0 kcal
|
|
4 Cyanide- + Ni+2 = Ni(Cyanide)4-2
|
|
log_k 30.1257
|
|
delta_h -43.19 kcal
|
|
Sr+2 + Fe+3 + 6 Cyanide- = SrFe(Cyanide)6-
|
|
log_k 55.6181
|
|
delta_h -69.83 kcal
|
|
4 Cyanide- + Tl+ = Tl(Cyanide)4- + 2 e-
|
|
log_k -8.0189
|
|
delta_h 0 kcal
|
|
6 Cyanide- + Tl+ + Fe+2 = TlFe(Cyanide)6-3
|
|
log_k 48.7508
|
|
delta_h -84.88 kcal
|
|
4 Cyanide- + Zn+2 = Zn(Cyanide)4-2
|
|
log_k 16.715
|
|
delta_h -25.539 kcal
|
|
3 Cyanide- + Zn+2 = Zn(Cyanide)3-
|
|
log_k 16.048
|
|
delta_h -20.199 kcal
|
|
2 Cyanide- + Zn+2 = Zn(Cyanide)2
|
|
log_k 11.071
|
|
delta_h -10.999 kcal
|
|
3 Cyanide- + Ni+2 = Ni(Cyanide)3-
|
|
log_k 22.6346
|
|
delta_h 0 kcal
|
|
4 Cyanide- + Ni+2 + H+ = NiH(Cyanide)4-
|
|
log_k 36.7482
|
|
delta_h 0 kcal
|
|
4 Cyanide- + Ni+2 + 2 H+ = NiH2Cyanide4
|
|
log_k 41.4576
|
|
delta_h 0 kcal
|
|
4 Cyanide- + Ni+2 + 3 H+ = NiH3(Cyanide)4+
|
|
log_k 43.9498
|
|
delta_h 0 kcal
|
|
2 Cyanide- + Ni+2 = Ni(Cyanide)2
|
|
log_k 14.5864
|
|
delta_h 0 kcal
|
|
6 Cyanide- + 2 Fe+3 = Fe2(Cyanide)6
|
|
log_k 56.9822
|
|
delta_h 0 kcal
|
|
2 Cyanate- + Ag+ = Ag(Cyanate)2-
|
|
log_k 5.0034
|
|
delta_h 0 kcal
|
|
3 Cyanide- + Ag+ = Ag(Cyanide)3-2
|
|
log_k 21.4002
|
|
delta_h -33.495 kcal
|
|
6 Cyanide- + Fe+2 + Ba+2 = BaFe(Cyanide)6-2
|
|
log_k 49.4032
|
|
delta_h 0 kcal
|
|
Acetate- + H+ = HAcetate
|
|
log_k 4.76
|
|
delta_h 0 kcal
|
|
-gamma 0 0.06
|
|
Tartrate-2 + H+ = HTartrate-
|
|
log_k 4.16
|
|
delta_h 0 kcal
|
|
-gamma 0 0.01
|
|
Tartrate-2 + 2 H+ = H2Tartrate
|
|
log_k 6.67
|
|
delta_h 0 kcal
|
|
-gamma 0 0.01
|
|
Glycine- + H+ = HGlycine
|
|
log_k 9.78
|
|
delta_h 0 kcal
|
|
-gamma 0 0.07
|
|
Glycine- + 2 H+ = H2Glycine+
|
|
log_k 12.12
|
|
delta_h 0 kcal
|
|
-gamma 0 0.07
|
|
Salicylate-2 + H+ = HSalicylate-
|
|
log_k 13.4
|
|
delta_h 0 kcal
|
|
-gamma 0 0.01
|
|
Salicylate-2 + 2 H+ = H2Salicylate
|
|
log_k 16.4
|
|
delta_h 0 kcal
|
|
-gamma 0 0.01
|
|
Glutamate-2 + H+ = HGlutamate-
|
|
log_k 9.95
|
|
delta_h 0 kcal
|
|
-gamma 0 0.01
|
|
Glutamate-2 + 2 H+ = H2Glutamate
|
|
log_k 14.37
|
|
delta_h 0 kcal
|
|
-gamma 0 0.01
|
|
Phthalate-2 + H+ = HPhthalate-
|
|
log_k 5.4
|
|
delta_h 0 kcal
|
|
-gamma 0 0.01
|
|
Phthalate-2 + 2 H+ = H2Phthalate
|
|
log_k 8.35
|
|
delta_h 0 kcal
|
|
-gamma 0 0.01
|
|
Cd+2 + Acetate- = CdAcetate+
|
|
log_k 1.93
|
|
delta_h 0 kcal
|
|
-gamma 0 0.01
|
|
Cd+2 + Tartrate-2 = CdTartrate
|
|
log_k 3.9
|
|
delta_h 0 kcal
|
|
-gamma 0 0.02
|
|
Cd+2 + Glycine- = CdGlycine+
|
|
log_k 4.8
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Glycine- = CdGlycine2
|
|
log_k 8.4
|
|
delta_h 0 kcal
|
|
Cd+2 + Glutamate-2 = CdGlutamate
|
|
log_k 4.78
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Glutamate-2 = CdGlutamate2-2
|
|
log_k 2.78
|
|
delta_h 0 kcal
|
|
Cd+2 + Phthalate-2 = CdPhthalate
|
|
log_k 2.5
|
|
delta_h 0 kcal
|
|
Pb+2 + Tartrate-2 = PbTartrate
|
|
log_k 3.78
|
|
delta_h 0 kcal
|
|
Pb+2 + Glycine- = PbGlycine+
|
|
log_k 5.47
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 Glycine- = PbGlycine2
|
|
log_k 8.32
|
|
delta_h 0 kcal
|
|
Ba+2 + Acetate- = BaAcetate+
|
|
log_k 1.07
|
|
delta_h 0 kcal
|
|
Ba+2 + Tartrate-2 = BaTartrate
|
|
log_k 2.54
|
|
delta_h 0 kcal
|
|
Ba+2 + Glycine- = BaGlycine+
|
|
log_k 0.77
|
|
delta_h 0 kcal
|
|
Ba+2 + Salicylate-2 = BaSalicylate
|
|
log_k 0.21
|
|
delta_h 0 kcal
|
|
Ba+2 + Glutamate-2 = BaGlutamate
|
|
log_k 1.28
|
|
delta_h 0 kcal
|
|
Ba+2 + Phthalate-2 = BaPhthalate
|
|
log_k 2.33
|
|
delta_h 0 kcal
|
|
Ag+ + Acetate- = AgAcetate
|
|
log_k 0.73
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Acetate- = AgAcetate2-
|
|
log_k 0.64
|
|
delta_h 0 kcal
|
|
Ag+ + Glycine- = AgGlycine
|
|
log_k 3.51
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Glycine- = AgGlycine2-
|
|
log_k 3.38
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + Acetate- + 2 H+ = CrAcetate+2 + 2 H2O
|
|
log_k 14.25
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 2 Acetate- + 2 H+ = CrAcetate2+ + 2 H2O
|
|
log_k 16.68
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 3 Acetate- + 2 H+ = CrAcetate3 + 2 H2O
|
|
log_k 19.2
|
|
delta_h 0 kcal
|
|
# Could not interpret MINTEQ data
|
|
#Cr(OH)2+ + Glycine- = CrGlycine+2
|
|
# log_k 8.4
|
|
# delta_h 0 kcal
|
|
#Cr(OH)2+ + 2Glycine- = CrGlycine2
|
|
# log_k 6.4
|
|
# delta_h 0 kcal
|
|
#Cr(OH)2+ + 3Glycine- = CrGlycine3-
|
|
# log_k 5.7
|
|
# delta_h 0 kcal
|
|
Cr(OH)2+ + Phthalate-2 + 2 H+ = CrPhthalate+ + 2 H2O
|
|
log_k 15.14
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 2 Phthalate-2 + 2 H+ = CrPhthalate2- + 2 H2O
|
|
log_k 19.62
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 3 Phthalate-2 + 2 H+ = CrPhthalate3-3 + 2 H2O
|
|
log_k 22.1
|
|
delta_h 0 kcal
|
|
Tl+ + Tartrate-2 = TlTartrate-
|
|
log_k 1.39
|
|
delta_h 0 kcal
|
|
Hg2+2 + Glycine- = Hg2Glycine+
|
|
log_k 10.8
|
|
delta_h 0 kcal
|
|
Hg2+2 + 2 Glycine- = Hg2Glycine2
|
|
log_k 20
|
|
delta_h 0 kcal
|
|
Cd+2 + Butanoate- = CdButanoate+
|
|
log_k 1.25
|
|
delta_h 0 kcal
|
|
Cd+2 + Citrate-3 = CdCitrate-
|
|
log_k 5.3
|
|
delta_h 0 kcal
|
|
Cd+2 + Citrate-3 + 2 H+ = CdH2Citrate+
|
|
log_k 2.05
|
|
delta_h 0 kcal
|
|
Cd+2 + Citrate-3 + H+ = CdHCitrate
|
|
log_k 3.37
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Citrate-3 = CdCitrate2-4
|
|
log_k 5.34
|
|
delta_h 0 kcal
|
|
Cd+2 + Edta-4 + H+ = CdHEdta-
|
|
log_k 2.9
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Acetate- = CdAcetate2
|
|
log_k 3.15
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 Acetate- = CdAcetate3-
|
|
log_k 2.17
|
|
delta_h 0 kcal
|
|
Cd+2 + 4 Acetate- = CdAcetate4-2
|
|
log_k 2.04
|
|
delta_h 0 kcal
|
|
Cd+2 + Diethylamine = CdDiethylamine+2
|
|
log_k 2.62
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Diethylamine = CdDiethylamine2+2
|
|
log_k 4.86
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 Diethylamine = CdDiethylamine3+2
|
|
log_k 6.36
|
|
delta_h 0 kcal
|
|
Cd+2 + 4 Diethylamine = CdDiethylamine4+2
|
|
log_k 7.31
|
|
delta_h 0 kcal
|
|
Cd+2 + Propanoate- = CdPropanoate+
|
|
log_k 1.19
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Propanoate- = CdPropanoate2
|
|
log_k 1.86
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 Propanoate- = CdPropanoate3-
|
|
log_k 2.345
|
|
delta_h 0 kcal
|
|
Cd+2 + 4 Propanoate- = CdPropanoate4-2
|
|
log_k 1.98
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Butanoate- = CdButanoate2
|
|
log_k 1.98
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 Butanoate- = CdButanoate3-
|
|
log_k 2.34
|
|
delta_h 0 kcal
|
|
Cd+2 + 4 Butanoate- = CdButanoate4-2
|
|
log_k 1.98
|
|
delta_h 0 kcal
|
|
Cd+2 + Npropylamine = CdNpropylamine+2
|
|
log_k 2.62
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Npropylamine = CdNpropylamine2+2
|
|
log_k 4.64
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 Npropylamine = CdNpropylamine3+2
|
|
log_k 6.03
|
|
delta_h 0 kcal
|
|
Cd+2 + Isopropylamine = CdIsopropylamine+2
|
|
log_k 2.55
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Isopropylamine = CdIsopropylamine2+2
|
|
log_k 4.57
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 Isopropylamine = CdIsopropylamine3+2
|
|
log_k 6.07
|
|
delta_h 0 kcal
|
|
Cd+2 + 4 Isopropylamine = CdIsopropylamine4+2
|
|
log_k 6.9
|
|
delta_h 0 kcal
|
|
Benzoate- + H+ = HBenzoate
|
|
log_k 4.2
|
|
delta_h 0 kcal
|
|
Para_acetate- + 2 H+ = H2Para_acetate+
|
|
log_k 4.31
|
|
delta_h 0 kcal
|
|
Isophthalate-2 + H+ = HIsophthalate-
|
|
log_k 3.5
|
|
delta_h 0 kcal
|
|
Isophthalate-2 + 2 H+ = H2Isophthalate
|
|
log_k 8
|
|
delta_h 0 kcal
|
|
Propanoate- + Fe+3 = FePropanoate+2
|
|
log_k 3.4
|
|
delta_h 0 kcal
|
|
Isobutyrate- + Fe+3 = FeIsobutyrate+2
|
|
log_k 3.6
|
|
delta_h 0 kcal
|
|
Butanoate- + Fe+3 = FeButanoate+2
|
|
log_k 5.56
|
|
delta_h 0 kcal
|
|
Isovalerate- + Fe+3 = FeIsovalerate+2
|
|
log_k 5.58
|
|
delta_h 0 kcal
|
|
Valerate- + Fe+3 = FeValerate+2
|
|
log_k 5.58
|
|
delta_h 0 kcal
|
|
Benzoate- + Cu+2 = CuBenzoate+
|
|
log_k 2.1
|
|
delta_h 0 kcal
|
|
Para_acetate- + Cu+2 = CuPara_acetate+
|
|
log_k 1.97
|
|
delta_h 0 kcal
|
|
Isobutyrate- + Ba+2 = BaIsobutyrate+
|
|
log_k 0.64
|
|
delta_h 0 kcal
|
|
Isovalerate- + Ba+2 = BaIsovalerate+
|
|
log_k 0.68
|
|
delta_h 0 kcal
|
|
Valerate- + Ba+2 = BaValerate+
|
|
log_k 0.66
|
|
delta_h 0 kcal
|
|
Isophthalate-2 + Ba+2 = BaIsophthalate
|
|
log_k 1.55
|
|
delta_h 0 kcal
|
|
Isobutyrate- + Cd+2 = CdIsobutyrate+
|
|
log_k 1.17
|
|
delta_h 0 kcal
|
|
Valerate- + Cd+2 = CdValerate+
|
|
log_k 1.19
|
|
delta_h 0 kcal
|
|
Benzoate- + Cd+2 = CdBenzoate+
|
|
log_k 1.9
|
|
delta_h 0 kcal
|
|
2 Benzoate- + Cd+2 = CdBenzoate2
|
|
log_k 1.65
|
|
delta_h 0 kcal
|
|
Para_acetate- + Zn+2 = ZnPara_acetate+
|
|
log_k 1.67
|
|
delta_h 0 kcal
|
|
Para_acetate- + Cd+2 = CdPara_acetate+
|
|
log_k 1.15
|
|
delta_h 0 kcal
|
|
2 Para_acetate- + Cd+2 = CdPara_acetate2
|
|
log_k 1.92
|
|
delta_h 0 kcal
|
|
Isophthalate-2 + Cd+2 = CdIsophthalate
|
|
log_k 1.33
|
|
delta_h 0 kcal
|
|
2 Isophthalate-2 + Cd+2 = CdIsophthalate2-2
|
|
log_k 2.17
|
|
delta_h 0 kcal
|
|
2 Isophthalate-2 + Cd+2 + H+ = CdIsophthalate2H-
|
|
log_k 5.32
|
|
delta_h 0 kcal
|
|
2 H+ + Isobutyrate- + Cr(OH)2+ = CrIsobutyrate+2 + 2 H2O
|
|
log_k 12.73
|
|
delta_h 0 kcal
|
|
2 H+ + Butanoate- + Cr(OH)2+ = CrButanoate+2 + 2 H2O
|
|
log_k 12.74
|
|
delta_h 0 kcal
|
|
2 H+ + Isovalerate- + Cr(OH)2+ = CrIsovalerate+2 + 2 H2O
|
|
log_k 12.76
|
|
delta_h 0 kcal
|
|
2 H+ + Valerate- + Cr(OH)2+ = CrValerate+2 + 2 H2O
|
|
log_k 12.75
|
|
delta_h 0 kcal
|
|
Isobutyrate- + Pb+2 = PbIsobutyrate+
|
|
log_k 2.67
|
|
delta_h 0 kcal
|
|
Isovalerate- + Pb+2 = PbIsovalerate+
|
|
log_k 2.05
|
|
delta_h 0 kcal
|
|
Valerate- + Pb+2 = PbValerate+
|
|
log_k 2.06
|
|
delta_h 0 kcal
|
|
Benzoate- + Pb+2 = PbBenzoate+
|
|
log_k 2.5
|
|
delta_h 0 kcal
|
|
Benzoate- + Mg+2 = MgBenzoate+
|
|
log_k 0.1
|
|
delta_h 0 kcal
|
|
Benzoate- + Ca+2 = CaBenzoate+
|
|
log_k 0.2
|
|
delta_h 0 kcal
|
|
Benzoate- + Zn+2 = ZnBenzoate+
|
|
log_k 1.4
|
|
delta_h 0 kcal
|
|
Isophthalate-2 + Pb+2 = PbIsophthalate
|
|
log_k 2.17
|
|
delta_h 0 kcal
|
|
2 Isophthalate-2 + Pb+2 = PbIsophthalate2-2
|
|
log_k 3.36
|
|
delta_h 0 kcal
|
|
Isophthalate-2 + Pb+2 + H+ = PbIsophthalateH+
|
|
log_k 6.28
|
|
delta_h 0 kcal
|
|
2 H+ + Isobutyrate- + Hg(OH)2 = HgIsobutyrate+ + 2 H2O
|
|
log_k 10.687
|
|
delta_h 0 kcal
|
|
2 H+ + Butanoate- + Hg(OH)2 = HgButanoate+ + 2 H2O
|
|
log_k 10.097
|
|
delta_h 0 kcal
|
|
2 H+ + Isovalerate- + Hg(OH)2 = HgIsovalerate+ + 2 H2O
|
|
log_k 10.717
|
|
delta_h 0 kcal
|
|
2 H+ + Valerate- + Hg(OH)2 = HgValerate+ + 2 H2O
|
|
log_k 10.727
|
|
delta_h 0 kcal
|
|
2 H+ + Phthalate-2 + Hg(OH)2 = HgPhthalate + 2 H2O
|
|
log_k 10.997
|
|
delta_h 0 kcal
|
|
Isobutyrate- + Ni+2 = NiIsobutyrate+
|
|
log_k 1.23
|
|
delta_h 0 kcal
|
|
Isovalerate- + Ni+2 = NiIsovalerate+
|
|
log_k 1.27
|
|
delta_h 0 kcal
|
|
Valerate- + Ni+2 = NiValerate+
|
|
log_k 1.26
|
|
delta_h 0 kcal
|
|
Benzoate- + Ni+2 = NiBenzoate+
|
|
log_k 1.4
|
|
delta_h 0 kcal
|
|
Para_acetate- + Ni+2 = NiPara_acetate+
|
|
log_k 0.65
|
|
delta_h 0 kcal
|
|
2 Para_acetate- + Ni+2 = NiPara_acetate2
|
|
log_k 0.99
|
|
delta_h 0 kcal
|
|
Phthalate-2 + Ni+2 + H+ = NiPhthalateH+
|
|
log_k 6.1
|
|
delta_h 0 kcal
|
|
Cr+2 + Edta-4 + H+ = CrHEdta-
|
|
log_k 6.1
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + Propanoate- + 2 H+ = CrPropanoate+2 + 2 H2O
|
|
log_k 14.32
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 2 Propanoate- + 2 H+ = CrPropanoate2+ + 2 H2O
|
|
log_k 16.66
|
|
delta_h 0 kcal
|
|
Cr(OH)2+ + 3 Propanoate- + 2 H+ = CrPropanoate3 + 2 H2O
|
|
log_k 19.32
|
|
delta_h 0 kcal
|
|
Cr+2 + Acetate- = CrAcetate+
|
|
log_k 1.8
|
|
delta_h 0 kcal
|
|
Cr+2 + 2 Acetate- = CrAcetate2
|
|
log_k 2.92
|
|
delta_h 0 kcal
|
|
Cu+2 + Edta-4 = CuEdta-2
|
|
log_k 18.785
|
|
delta_h 0 kcal
|
|
Cu+2 + Edta-4 + H+ = CuHEdta-
|
|
log_k 11.195
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Acetate- = CuAcetate2
|
|
log_k 3.63
|
|
delta_h 0 kcal
|
|
Cu+2 + 3 Acetate- = CuAcetate3-
|
|
log_k 3.1
|
|
delta_h 0 kcal
|
|
Cu+2 + 4 Acetate- = CuAcetate4-2
|
|
log_k 2.9
|
|
delta_h 0 kcal
|
|
Cu+2 + Propanoate- = CuPropanoate+
|
|
log_k 2.22
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Propanoate- = CuPropanoate2
|
|
log_k 2.62
|
|
delta_h 0 kcal
|
|
Cu+2 + 3 Propanoate- = CuPropanoate3-
|
|
log_k 2.3
|
|
delta_h 0 kcal
|
|
Cu+2 + 4 Propanoate- = CuPropanoate4-2
|
|
log_k 2.7
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Methylamine = CuMethylamine2+2
|
|
log_k 7.51
|
|
delta_h 0 kcal
|
|
Cu+2 + Dimethylamine = CuDimethylamine+2
|
|
log_k 3.21
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Dimethylamine = CuDimethylamine2+2
|
|
log_k 5.66
|
|
delta_h 0 kcal
|
|
Cu+2 + 3 Dimethylamine = CuDimethylamine3+2
|
|
log_k 7.26
|
|
delta_h 0 kcal
|
|
Cu+2 + Butanoate- = CuButanoate+
|
|
log_k 2.14
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Butanoate- = CuButanoate2
|
|
log_k 2.6
|
|
delta_h 0 kcal
|
|
Cu+2 + 3 Butanoate- = CuButanoate3-
|
|
log_k 2.3
|
|
delta_h 0 kcal
|
|
Cu+2 + 4 Butanoate- = CuButanoate4-2
|
|
log_k 2.95
|
|
delta_h 0 kcal
|
|
Cu+2 + Isobutyrate- = CuIsobutyrate+
|
|
log_k 2.17
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Isobutyrate- = CuIsobutyrate2
|
|
log_k 2.7
|
|
delta_h 0 kcal
|
|
Pb+2 + Citrate-3 = PbCitrate-
|
|
log_k 4.34
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 Citrate-3 = PbCitrate2-4
|
|
log_k 6.08
|
|
delta_h 0 kcal
|
|
Pb+2 + 3 Citrate-3 = PbCitrate3-7
|
|
log_k 6.97
|
|
delta_h 0 kcal
|
|
Pb+2 + Nta-3 = PbNta-
|
|
log_k 11.6233
|
|
delta_h 0 kcal
|
|
Pb+2 + Nta-3 + H+ = PbHNta
|
|
log_k 3.795
|
|
delta_h 0 kcal
|
|
Pb+2 + Edta-4 + H+ = PbHEdta-
|
|
log_k 9.68
|
|
delta_h 0 kcal
|
|
Pb+2 + Edta-4 + 2 H+ = PbH2Edta
|
|
log_k 6.22
|
|
delta_h 0 kcal
|
|
Pb+2 + Acetate- = PbAcetate+
|
|
log_k 2.87
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 Acetate- = PbAcetate2
|
|
log_k 4.08
|
|
delta_h 0 kcal
|
|
Pb+2 + 3 Acetate- = PbAcetate3-
|
|
log_k 3.59
|
|
delta_h 0 kcal
|
|
Pb+2 + Propanoate- = PbPropanoate+
|
|
log_k 2.64
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 Propanoate- = PbPropanoate2
|
|
log_k 4.15
|
|
delta_h 0 kcal
|
|
Pb+2 + 3 Propanoate- = PbPropanoate3-
|
|
log_k 2.99
|
|
delta_h 0 kcal
|
|
Pb+2 + 4 Propanoate- = PbPropanoate4-2
|
|
log_k 4.18
|
|
delta_h 0 kcal
|
|
Pb+2 + Butanoate- = PbButanoate+
|
|
log_k 2.125
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 Butanoate- = PbButanoate2
|
|
log_k 3.735
|
|
delta_h 0 kcal
|
|
Pb+2 + 3 Butanoate- = PbButanoate3-
|
|
log_k 4.125
|
|
delta_h 0 kcal
|
|
Pb+2 + 4 Butanoate- = PbButanoate4-2
|
|
log_k 4.43
|
|
delta_h 0 kcal
|
|
Ni+2 + Citrate-3 = NiCitrate-
|
|
log_k 6.62
|
|
delta_h 0 kcal
|
|
Ni+2 + Citrate-3 + H+ = NiCitrateH
|
|
log_k 4.09
|
|
delta_h 0 kcal
|
|
Ni+2 + Citrate-3 + 2 H+ = NiCitrateH2+
|
|
log_k 2.13
|
|
delta_h 0 kcal
|
|
Ni+2 + Edta-4 = NiEdta-2
|
|
log_k 20.33
|
|
delta_h 0 kcal
|
|
Ni+2 + Edta-4 + H+ = NiHEdta-
|
|
log_k 11.56
|
|
delta_h 0 kcal
|
|
Ni+2 + Propanoate- = NiPropanoate+
|
|
log_k 0.73
|
|
delta_h 0 kcal
|
|
Ni+2 + 2 Propanoate- = NiPropanoate2
|
|
log_k 0.8
|
|
delta_h 0 kcal
|
|
Ni+2 + 3 Propanoate- = NiPropanoate3-
|
|
log_k 0.97
|
|
delta_h 0 kcal
|
|
Ni+2 + Butanoate- = NiButanoate+
|
|
log_k 0.77
|
|
delta_h 0 kcal
|
|
Ni+2 + 2 Butanoate- = NiButanoate2
|
|
log_k 0.85
|
|
delta_h 0 kcal
|
|
Ni+2 + 3 Butanoate- = NiButanoate3-
|
|
log_k 1.34
|
|
delta_h 0 kcal
|
|
Ni+2 + Npropylamine = NiNpropylamine+2
|
|
log_k 2.81
|
|
delta_h 0 kcal
|
|
Ni+2 + 2 Npropylamine = NiNpropylamine2+2
|
|
log_k 5.02
|
|
delta_h 0 kcal
|
|
Ni+2 + 3 Npropylamine = NiNpropylamine3+2
|
|
log_k 6.79
|
|
delta_h 0 kcal
|
|
Ni+2 + 4 Npropylamine = NiNpropylamine4+2
|
|
log_k 8.31
|
|
delta_h 0 kcal
|
|
Ni+2 + Isopropylamine = NiIsopropylamine+2
|
|
log_k 2.71
|
|
delta_h 0 kcal
|
|
Ni+2 + 2 Isopropylamine = NiIsopropylamine2+2
|
|
log_k 4.86
|
|
delta_h 0 kcal
|
|
Ni+2 + 3 Isopropylamine = NiIsopropylamine3+2
|
|
log_k 6.57
|
|
delta_h 0 kcal
|
|
Ni+2 + 4 Isopropylamine = NiIsopropylamine4+2
|
|
log_k 7.83
|
|
delta_h 0 kcal
|
|
Ni+2 + 5 Isopropylamine = NiIsopropylamine5+2
|
|
log_k 8.43
|
|
delta_h 0 kcal
|
|
Ag+ + Diethylamine = AgDiethylamine+
|
|
log_k 3.965
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Diethylamine = AgDiethylamine2+
|
|
log_k 7.02
|
|
delta_h 0 kcal
|
|
Ag+ + Methylamine = AgMethylamine+
|
|
log_k 3.18
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Methylamine = AgMethylamine2+
|
|
log_k 7.14
|
|
delta_h 0 kcal
|
|
Ag+ + Hexylamine = AgHexylamine+
|
|
log_k 3.66
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Hexylamine = AgHexylamine2+
|
|
log_k 7.35
|
|
delta_h 0 kcal
|
|
Ag+ + Isopropylamine = AgIsopropylamine+
|
|
log_k 3.19
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Isopropylamine = AgIsopropylamine2+
|
|
log_k 6.85
|
|
delta_h 0 kcal
|
|
Ag+ + Nbutylamine = AgNbutylamine+
|
|
log_k 3.55
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Nbutylamine = AgNbutylamine2+
|
|
log_k 7.77
|
|
delta_h 0 kcal
|
|
Ag+ + Glutamate-2 = AgGlutamate-
|
|
log_k 3.79
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Glutamate-2 = AgGlutamate2-3
|
|
log_k 6.55
|
|
delta_h 0 kcal
|
|
Ag+ + Nta-3 = AgNta-2
|
|
log_k 5.36
|
|
delta_h 0 kcal
|
|
Ag+ + Edta-4 = AgEdta-3
|
|
log_k 7.355
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Edta-4 = AgEdta2-7
|
|
log_k 11.355
|
|
delta_h 0 kcal
|
|
Ag+ + Edta-4 + H+ = AgHEdta-2
|
|
log_k 3.36
|
|
delta_h 0 kcal
|
|
Ag+ + Two_methylpyridine = AgTwo_methylpyridine+
|
|
log_k 2.32
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Two_methylpyridine = AgTwo_methylpyridine2+
|
|
log_k 4.68
|
|
delta_h 0 kcal
|
|
Ag+ + Three_methylpyridine = AgThree_methylpyridine+
|
|
log_k 2.2
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Three_methylpyridine = AgThree_methylpyridine2+
|
|
log_k 4.46
|
|
delta_h 0 kcal
|
|
Ag+ + Four_methylpyridine = AgFour_methylpyridine+
|
|
log_k 2.21
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Four_methylpyridine = AgFour_methylpyridine2+
|
|
log_k 4.67
|
|
delta_h 0 kcal
|
|
Ag+ + Npropylamine = AgNpropylamine+
|
|
log_k 3.47
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Npropylamine = AgNpropylamine2+
|
|
log_k 7.51
|
|
delta_h 0 kcal
|
|
Zn+2 + Glutamate-2 = ZnGlutamate
|
|
log_k 3.79
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Glutamate-2 = ZnGlutamate2-2
|
|
log_k 8.25
|
|
delta_h 0 kcal
|
|
Zn+2 + 3 Glutamate-2 = ZnGlutamate3-4
|
|
log_k 9.8
|
|
delta_h 0 kcal
|
|
Zn+2 + Three_methylpyridine = ZnThree_methylpyridine+2
|
|
log_k 1
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Three_methylpyridine = ZnThree_methylpyridine2+2
|
|
log_k 2.1
|
|
delta_h 0 kcal
|
|
Zn+2 + 3 Three_methylpyridine = ZnThree_methylpyridine3+2
|
|
log_k 2.6
|
|
delta_h 0 kcal
|
|
Zn+2 + 4 Three_methylpyridine = ZnThree_methylpyridine4+2
|
|
log_k 3.7
|
|
delta_h 0 kcal
|
|
Zn+2 + Glycine- = ZnGlycine+
|
|
log_k 5.38
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Glycine- = ZnGlycine2
|
|
log_k 9.81
|
|
delta_h 0 kcal
|
|
Zn+2 + 3 Glycine- = ZnGlycine3-
|
|
log_k 12.3
|
|
delta_h 0 kcal
|
|
Zn+2 + Citrate-3 = ZnCitrate-
|
|
log_k 6.1
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Citrate-3 = ZnCitrate2-4
|
|
log_k 6.7
|
|
delta_h 0 kcal
|
|
Zn+2 + Citrate-3 + H+ = ZnCitrateH
|
|
log_k 3.78
|
|
delta_h 0 kcal
|
|
Zn+2 + Citrate-3 + 2 H+ = ZnCitrateH2+
|
|
log_k 1.68
|
|
delta_h 0 kcal
|
|
Zn+2 + Phthalate-2 = ZnPhthalate
|
|
log_k 2.91
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Phthalate-2 = ZnPhthalate2-2
|
|
log_k 4.2
|
|
delta_h 0 kcal
|
|
Pb+2 + Glutamate-2 = PbGlutamate
|
|
log_k 4.7
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 Glutamate-2 = PbGlutamate2-2
|
|
log_k 7.55
|
|
delta_h 0 kcal
|
|
Pb+2 + Edta-4 = PbEdta-2
|
|
log_k 17.88
|
|
delta_h 0 kcal
|
|
Pb+2 + Phthalate-2 = PbPhthalate
|
|
log_k 2.78
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 Phthalate-2 = PbPhthalate2-2
|
|
log_k 4.01
|
|
delta_h 0 kcal
|
|
Pb+2 + Phthalate-2 + H+ = PbPhthalateH+
|
|
log_k 6.56
|
|
delta_h 0 kcal
|
|
Pb+2 + 4 Acetate- = PbAcetate4-2
|
|
log_k 3.4
|
|
delta_h 0 kcal
|
|
Cu+2 + Nta-3 = CuNta-
|
|
log_k 13.1
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Nta-3 = CuNta2-4
|
|
log_k 17.5
|
|
delta_h 0 kcal
|
|
Cu+2 + Methylamine = CuMethylamine+2
|
|
log_k 4.11
|
|
delta_h 0 kcal
|
|
Cu+2 + 3 Methylamine = CuMethylamine3+2
|
|
log_k 10.21
|
|
delta_h 0 kcal
|
|
Cu+2 + 4 Methylamine = CuMethylamine4+2
|
|
log_k 12.08
|
|
delta_h 0 kcal
|
|
Cu+2 + Three_methylpyridine = CuThree_methylpyridine+2
|
|
log_k 2.74
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Three_methylpyridine = CuThree_methylpyridine2+2
|
|
log_k 4.8
|
|
delta_h 0 kcal
|
|
Cu+2 + 3 Three_methylpyridine = CuThree_methylpyridine3+2
|
|
log_k 6.3
|
|
delta_h 0 kcal
|
|
Cu+2 + 4 Three_methylpyridine = CuThree_methylpyridine4+2
|
|
log_k 7.2
|
|
delta_h 0 kcal
|
|
Cu+2 + Four_methylpyridine = CuFour_methylpyridine+2
|
|
log_k 2.88
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Four_methylpyridine = CuFour_methylpyridine2+2
|
|
log_k 5.16
|
|
delta_h 0 kcal
|
|
Cu+2 + 3 Four_methylpyridine = CuFour_methylpyridine3+2
|
|
log_k 6.77
|
|
delta_h 0 kcal
|
|
Cu+2 + 4 Four_methylpyridine = CuFour_methylpyridine4+2
|
|
log_k 8.08
|
|
delta_h 0 kcal
|
|
Cu+2 + 5 Four_methylpyridine = CuFour_methylpyridine5+2
|
|
log_k 8.3
|
|
delta_h 0 kcal
|
|
# Duplicate entry
|
|
#Cu+2 + Glutamate-2 = CuGlutamate
|
|
# log_k 8.33
|
|
# delta_h 0 kcal
|
|
Cu+2 + Citrate-3 = CuCitrate-
|
|
log_k 7.26
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Citrate-3 = CuCitrate2-4
|
|
log_k 8.72
|
|
delta_h 0 kcal
|
|
Cu+2 + Citrate-3 + H+ = CuHCitrate
|
|
log_k 4.27
|
|
delta_h 0 kcal
|
|
Cu+2 + Citrate-3 + 2 H+ = CuH2Citrate+
|
|
log_k 2.2
|
|
delta_h 0 kcal
|
|
Cu+2 + Isovalerate- = CuIsovalerate+
|
|
log_k 2.08
|
|
delta_h 0 kcal
|
|
Cu+2 + Phthalate-2 = CuPhthalate
|
|
log_k 4.04
|
|
delta_h 0 kcal
|
|
Cu+2 + Phthalate-2 + H+ = CuPhthalateH+
|
|
log_k 6.74
|
|
delta_h 0 kcal
|
|
-gamma 4 0
|
|
Cu+2 + Valerate- = CuValerate+
|
|
log_k 2.12
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Valerate- = CuValerate2
|
|
log_k 3
|
|
delta_h 0 kcal
|
|
Ba+2 + Edta-4 = BaEdta-2
|
|
log_k 8
|
|
delta_h 0 kcal
|
|
Ba+2 + Citrate-3 = BaCitrate-
|
|
log_k 4.06
|
|
delta_h 0 kcal
|
|
Ba+2 + Citrate-3 + H+ = BaCitrateH
|
|
log_k 2.7
|
|
delta_h 0 kcal
|
|
Ba+2 + Citrate-3 + 2 H+ = BaCitrateH2+
|
|
log_k 1.27
|
|
delta_h 0 kcal
|
|
Ba+2 + Propanoate- = BaPropanoate+
|
|
log_k 0.34
|
|
delta_h 0 kcal
|
|
Ba+2 + Butanoate- = BaButanoate+
|
|
log_k 0.94
|
|
delta_h 0 kcal
|
|
Cr+2 + Edta-4 = CrEdta-2
|
|
log_k 13.61
|
|
delta_h 0 kcal
|
|
Ni+2 + Two_methylpyridine = NiTwo_methylpyridine+2
|
|
log_k 0.4
|
|
delta_h 0 kcal
|
|
Ni+2 + Three_methylpyridine = NiThree_methylpyridine+2
|
|
log_k 2.02
|
|
delta_h 0 kcal
|
|
Ni+2 + 2 Three_methylpyridine = NiThree_methylpyridine2+2
|
|
log_k 3.3
|
|
delta_h 0 kcal
|
|
Ni+2 + 3 Three_methylpyridine = NiThree_methylpyridine3+2
|
|
log_k 4.1
|
|
delta_h 0 kcal
|
|
Ni+2 + 4 Three_methylpyridine = NiThree_methylpyridine4+2
|
|
log_k 4.6
|
|
delta_h 0 kcal
|
|
Ni+2 + Four_methylpyridine = NiFour_methylpyridine+2
|
|
log_k 2.11
|
|
delta_h 0 kcal
|
|
Ni+2 + 2 Four_methylpyridine = NiFour_methylpyridine2+2
|
|
log_k 3.59
|
|
delta_h 0 kcal
|
|
Ni+2 + 3 Four_methylpyridine = NiFour_methylpyridine3+2
|
|
log_k 4.34
|
|
delta_h 0 kcal
|
|
Ni+2 + 4 Four_methylpyridine = NiFour_methylpyridine4+2
|
|
log_k 4.7
|
|
delta_h 0 kcal
|
|
-gamma 0 0.04
|
|
Ni+2 + Diethylamine = NiDiethylamine+2
|
|
log_k 2.78
|
|
delta_h 0 kcal
|
|
Ni+2 + 2 Diethylamine = NiDiethylamine2+2
|
|
log_k 4.97
|
|
delta_h 0 kcal
|
|
Ni+2 + 3 Diethylamine = NiDiethylamine3+2
|
|
log_k 6.72
|
|
delta_h 0 kcal
|
|
Ni+2 + 4 Diethylamine = NiDiethylamine4+2
|
|
log_k 7.93
|
|
delta_h 0 kcal
|
|
Ni+2 + 5 Diethylamine = NiDiethylamine5+2
|
|
log_k 8.87
|
|
delta_h 0 kcal
|
|
Ni+2 + 3 Glycine- = NiGlycine3-
|
|
log_k 14.2
|
|
delta_h 0 kcal
|
|
Cd+2 + Three_methylpyridine = CdThree_methylpyridine+2
|
|
log_k 1.62
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Three_methylpyridine = CdThree_methylpyridine2+2
|
|
log_k 2.8
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 Three_methylpyridine = CdThree_methylpyridine3+2
|
|
log_k 3.6
|
|
delta_h 0 kcal
|
|
Cd+2 + 4 Three_methylpyridine = CdThree_methylpyridine4+2
|
|
log_k 4
|
|
delta_h 0 kcal
|
|
Cd+2 + Four_methylpyridine = CdFour_methylpyridine+2
|
|
log_k 1.51
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Four_methylpyridine = CdFour_methylpyridine2+2
|
|
log_k 2.5
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 Four_methylpyridine = CdFour_methylpyridine3+2
|
|
log_k 2.9
|
|
delta_h 0 kcal
|
|
Cd+2 + 4 Four_methylpyridine = CdFour_methylpyridine4+2
|
|
log_k 4
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 Glycine- = CdGlycine3-
|
|
log_k 10.7
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Phthalate-2 = CdPhthalate2-2
|
|
log_k 2.88
|
|
delta_h 0 kcal
|
|
Cd+2 + Phthalate-2 + H+ = CdPhthalateH+
|
|
log_k 5.88
|
|
delta_h 0 kcal
|
|
Cd+2 + Isovalerate- = CdIsovalerate+
|
|
log_k 1.34
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Isovalerate- = CdIsovalerate2
|
|
log_k 2.3
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 Isovalerate- = CdIsovalerate3-
|
|
log_k 2.5
|
|
delta_h 0 kcal
|
|
Cd+2 + 4 Isovalerate- = CdIsovalerate4-2
|
|
log_k 2
|
|
delta_h 0 kcal
|
|
0.5 Hg2+2 + Formate- = HgFormate
|
|
log_k 2.94
|
|
delta_h 0 kcal
|
|
0.5 Hg2+2 + 2 Formate- = HgFormate2-
|
|
log_k 5.45
|
|
delta_h 0 kcal
|
|
0.5 Hg2+2 + Acetate- = HgAcetate
|
|
log_k 7.14
|
|
delta_h 0 kcal
|
|
0.5 Hg2+2 + 2 Acetate- = HgAcetate2-
|
|
log_k 13.26
|
|
delta_h 0 kcal
|
|
0.5 Hg2+2 + Propanoate- = HgPropanoate
|
|
log_k 3.72
|
|
delta_h 0 kcal
|
|
0.5 Hg2+2 + 2 Propanoate- = HgPropanoate2-
|
|
log_k 6.99
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + Propanoate- + 2 H+ = HgPropanoate+ + 2 H2O
|
|
log_k 9.417
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 Propanoate- + 2 H+ = HgPropanoate2 + 2 H2O
|
|
log_k 13.107
|
|
delta_h 0 kcal
|
|
Tl+ + Citrate-3 = TlCitrate-2
|
|
log_k 1.61
|
|
delta_h 0 kcal
|
|
Tl+ + Nta-3 = TlNta-2
|
|
log_k 4.71
|
|
delta_h 0 kcal
|
|
Tl+ + Edta-4 = TlEdta-3
|
|
log_k 6.41
|
|
delta_h 0 kcal
|
|
Tl+ + Acetate- = TlAcetate
|
|
log_k -0.11
|
|
delta_h 0 kcal
|
|
Zn+2 + Edta-4 = ZnEdta-2
|
|
log_k 16.44
|
|
delta_h 0 kcal
|
|
Zn+2 + Edta-4 + H+ = ZnHEdta-
|
|
log_k 9
|
|
delta_h 0 kcal
|
|
Zn+2 + Acetate- = ZnAcetate+
|
|
log_k 1.57
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Acetate- = ZnAcetate2
|
|
log_k 1.9
|
|
delta_h 0 kcal
|
|
Zn+2 + 3 Acetate- = ZnAcetate3-
|
|
log_k 1.57
|
|
delta_h 0 kcal
|
|
Zn+2 + 4 Acetate- = ZnAcetate4-2
|
|
log_k 1.36
|
|
delta_h 0 kcal
|
|
Zn+2 + Diethylamine = ZnDiethylamine+2
|
|
log_k 2.51
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Diethylamine = ZnDiethylamine2+2
|
|
log_k 4.96
|
|
delta_h 20 kcal
|
|
Zn+2 + 3 Diethylamine = ZnDiethylamine3+2
|
|
log_k 7.49
|
|
delta_h 0 kcal
|
|
Zn+2 + 4 Diethylamine = ZnDiethylamine4+2
|
|
log_k 9.83
|
|
delta_h 0 kcal
|
|
Zn+2 + Propanoate- = ZnPropanoate+
|
|
log_k 0.72
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Propanoate- = ZnPropanoate2
|
|
log_k 1.23
|
|
delta_h 0 kcal
|
|
Zn+2 + 3 Propanoate- = ZnPropanoate3-
|
|
log_k 1.82
|
|
delta_h 0 kcal
|
|
Zn+2 + 4 Propanoate- = ZnPropanoate4-2
|
|
log_k 1.36
|
|
delta_h 0 kcal
|
|
Zn+2 + Butanoate- = ZnButanoate+
|
|
log_k 0.983
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Butanoate- = ZnButanoate2
|
|
log_k 1.65
|
|
delta_h 0 kcal
|
|
Zn+2 + 3 Butanoate- = ZnButanoate3-
|
|
log_k 1.69
|
|
delta_h 0 kcal
|
|
Zn+2 + 4 Butanoate- = ZnButanoate4-2
|
|
log_k 2.05
|
|
delta_h 0 kcal
|
|
Zn+2 + Npropylamine = ZnNpropylamine+2
|
|
log_k 2.42
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Npropylamine = ZnNpropylamine2+2
|
|
log_k 4.85
|
|
delta_h 0 kcal
|
|
Zn+2 + 3 Npropylamine = ZnNpropylamine3+2
|
|
log_k 7.38
|
|
delta_h 0 kcal
|
|
Zn+2 + 4 Npropylamine = ZnNpropylamine4+2
|
|
log_k 9.49
|
|
delta_h 0 kcal
|
|
Zn+2 + Isopropylamine = ZnIsopropylamine+2
|
|
log_k 2.37
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Isopropylamine = ZnIsopropylamine2+2
|
|
log_k 4.67
|
|
delta_h 0 kcal
|
|
Zn+2 + 3 Isopropylamine = ZnIsopropylamine3+2
|
|
log_k 7.14
|
|
delta_h 0 kcal
|
|
Zn+2 + 4 Isopropylamine = ZnIsopropylamine4+2
|
|
log_k 9.44
|
|
delta_h 0 kcal
|
|
H+ + Citrate-3 = CitrateH-2
|
|
log_k 6.33
|
|
delta_h 0 kcal
|
|
2 H+ + Citrate-3 = CitrateH2-
|
|
log_k 11.05
|
|
delta_h 0 kcal
|
|
3 H+ + Citrate-3 = CitrateH3
|
|
log_k 14.18
|
|
delta_h 0 kcal
|
|
Ca+2 + Citrate-3 = CaCitrate-
|
|
log_k 4.73
|
|
delta_h 0 kcal
|
|
Ca+2 + Citrate-3 + H+ = CaCitrateH
|
|
log_k 3.02
|
|
delta_h 0 kcal
|
|
Ca+2 + Citrate-3 + 2 H+ = CaCitrateH2+
|
|
log_k 1.29
|
|
delta_h 0 kcal
|
|
Mn+2 + Citrate-3 = MnCitrate-
|
|
log_k 5.28
|
|
delta_h 0 kcal
|
|
Mn+2 + Citrate-3 + H+ = MnCitrateH
|
|
log_k 3.02
|
|
delta_h 0 kcal
|
|
Fe+2 + Citrate-3 = FeCitrate-
|
|
log_k 5.7
|
|
delta_h 0 kcal
|
|
Fe+2 + Citrate-3 + H+ = FeCitrateH
|
|
log_k 3.5
|
|
delta_h 0 kcal
|
|
Fe+3 + Citrate-3 = FeCitrate
|
|
log_k 12.55
|
|
delta_h 0 kcal
|
|
Fe+3 + Citrate-3 + H+ = FeCitrateH+
|
|
log_k 19.8
|
|
delta_h 0 kcal
|
|
H+ + Ethylenediamine = HEthylenediamine+
|
|
log_k 9.96
|
|
delta_h 0 kcal
|
|
2 H+ + Ethylenediamine = H2Ethylenediamine+2
|
|
log_k 16.85
|
|
delta_h 0 kcal
|
|
Cu+2 + Ethylenediamine = CuEthylenediamine+2
|
|
log_k 10.49
|
|
delta_h 0 kcal
|
|
Cu+2 + 2 Ethylenediamine = CuEthylenediamine2+2
|
|
log_k 19.62
|
|
delta_h 0 kcal
|
|
Cd+2 + Ethylenediamine = CdEthylenediamine+2
|
|
log_k 5.61
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Ethylenediamine = CdEthylenediamine2+2
|
|
log_k 10.34
|
|
delta_h 0 kcal
|
|
Cd+2 + 3 Ethylenediamine = CdEthylenediamine3+2
|
|
log_k 12.26
|
|
delta_h 0 kcal
|
|
Ag+ + Ethylenediamine = AgEthylenediamine+
|
|
log_k 4.7
|
|
delta_h 0 kcal
|
|
Ag+ + 2 Ethylenediamine = AgEthylenediamine2+
|
|
log_k 7.7
|
|
delta_h 0 kcal
|
|
Ag+ + Ethylenediamine + H+ = AgEthylenediamineH+2
|
|
log_k 7.31
|
|
delta_h 0 kcal
|
|
2 Ag+ + Ethylenediamine = Ag2Ethylenediamine+2
|
|
log_k 1.43
|
|
delta_h 0 kcal
|
|
2 Ag+ + 2 Ethylenediamine = Ag2Ethylenediamine2+2
|
|
log_k 12.73
|
|
delta_h 0 kcal
|
|
Ni+2 + Ethylenediamine = NiEthylenediamine+2
|
|
log_k 7.24
|
|
delta_h 0 kcal
|
|
Ni+2 + 2 Ethylenediamine = NiEthylenediamine2+2
|
|
log_k 13.36
|
|
delta_h 0 kcal
|
|
Ni+2 + 3 Ethylenediamine = NiEthylenediamine3+2
|
|
log_k 17.54
|
|
delta_h 0 kcal
|
|
Pb+2 + Ethylenediamine = PbEthylenediamine+2
|
|
log_k 7
|
|
delta_h 0 kcal
|
|
Pb+2 + 2 Ethylenediamine = PbEthylenediamine2+2
|
|
log_k 8.45
|
|
delta_h 0 kcal
|
|
Zn+2 + Ethylenediamine = ZnEthylenediamine+2
|
|
log_k 5.65
|
|
delta_h 0 kcal
|
|
Zn+2 + 2 Ethylenediamine = ZnEthylenediamine2+2
|
|
log_k 10.62
|
|
delta_h 0 kcal
|
|
Zn+2 + 3 Ethylenediamine = ZnEthylenediamine3+2
|
|
log_k 13.83
|
|
delta_h 0 kcal
|
|
Mn+2 + Ethylenediamine = MnEthylenediamine+2
|
|
log_k 2.67
|
|
delta_h 0 kcal
|
|
Mn+2 + 2 Ethylenediamine = MnEthylenediamine2+2
|
|
log_k 4.2
|
|
delta_h 0 kcal
|
|
Fe+2 + Ethylenediamine = FeEthylenediamine+2
|
|
log_k 4.36
|
|
delta_h 0 kcal
|
|
Fe+2 + 2 Ethylenediamine = FeEthylenediamine2+2
|
|
log_k 7.65
|
|
delta_h 0 kcal
|
|
Fe+2 + 3 Ethylenediamine = FeEthylenediamine3+2
|
|
log_k 9.68
|
|
delta_h 0 kcal
|
|
H+ + Nta-3 = NtaH-2
|
|
log_k 10.334
|
|
delta_h 0 kcal
|
|
2 H+ + Nta-3 = NtaH2-
|
|
log_k 13.27
|
|
delta_h 0 kcal
|
|
3 H+ + Nta-3 = NtaH3
|
|
log_k 14.12
|
|
delta_h 0 kcal
|
|
H+ + Edta-4 = EdtaH-3
|
|
log_k 9.96
|
|
delta_h 0 kcal
|
|
2 H+ + Edta-4 = EdtaH2-2
|
|
log_k 16.21
|
|
delta_h 0 kcal
|
|
3 H+ + Edta-4 = EdtaH3-
|
|
log_k 18.86
|
|
delta_h 0 kcal
|
|
4 H+ + Edta-4 = EdtaH4
|
|
log_k 20.93
|
|
delta_h 0 kcal
|
|
H+ + Propanoate- = PropanoateH
|
|
log_k 4.874
|
|
delta_h 0 kcal
|
|
H+ + Methylamine = MethylamineH+
|
|
log_k 10.72
|
|
delta_h 0 kcal
|
|
H+ + Hexylamine = HexylamineH+
|
|
log_k 10.63
|
|
delta_h 0 kcal
|
|
H+ + Butanoate- = ButanoateH
|
|
log_k 4.73
|
|
delta_h 0 kcal
|
|
4 H+ + Nta-3 = NtaH4+
|
|
log_k 16.224
|
|
delta_h 0 kcal
|
|
5 H+ + Edta-4 = EdtaH5+
|
|
log_k 23.464
|
|
delta_h 0 kcal
|
|
H+ + Diethylamine = DiethylamineH+
|
|
log_k 10.774
|
|
delta_h 0 kcal
|
|
H+ + Trimethylamine = TrimethylamineH+
|
|
log_k 9.8
|
|
delta_h 0 kcal
|
|
H+ + Two_methylpyridine = Two_methylpyridineH+
|
|
log_k 5.95
|
|
delta_h 0 kcal
|
|
H+ + Three_methylpyridine = Three_methylpyridineH+
|
|
log_k 5.7
|
|
delta_h 0 kcal
|
|
H+ + Four_methylpyridine = Four_methylpyridineH+
|
|
log_k 6
|
|
delta_h 0 kcal
|
|
H+ + Npropylamine = NpropylamineH+
|
|
log_k 10.8
|
|
delta_h 0 kcal
|
|
3 H+ + Glutamate-2 = GlutamateH3+
|
|
log_k 16.6
|
|
delta_h 0 kcal
|
|
H+ + Formate- = FormateH
|
|
log_k 3.745
|
|
delta_h 0 kcal
|
|
H+ + Isovalerate- = IsovalerateH
|
|
log_k 4.781
|
|
delta_h 0 kcal
|
|
H+ + Isobutyrate- = IsobutyrateH
|
|
log_k 4.849
|
|
delta_h 0 kcal
|
|
H+ + Valerate- = ValerateH
|
|
log_k 4.843
|
|
delta_h 0 kcal
|
|
Cd+2 + Edta-4 = CdEdta-2
|
|
log_k 16.275
|
|
delta_h 0 kcal
|
|
Cd+2 + Nta-3 = CdNta-
|
|
log_k 9.4
|
|
delta_h 0 kcal
|
|
Cd+2 + 2 Nta-3 = CdNta2-4
|
|
log_k 14.3
|
|
delta_h 0 kcal
|
|
Mg+2 + Ethylenediamine = MgEthylenediamine+2
|
|
log_k 0.37
|
|
delta_h 0 kcal
|
|
Ca+2 + Ethylenediamine = CaEthylenediamine+2
|
|
log_k 0.1
|
|
delta_h 0 kcal
|
|
Mg+2 + Citrate-3 = MgCitrate-
|
|
log_k 3.37
|
|
delta_h 0 kcal
|
|
Mg+2 + Citrate-3 + H+ = MgCitrateH
|
|
log_k 8.17
|
|
delta_h 0 kcal
|
|
Mg+2 + Citrate-3 + 2 H+ = MgCitrateH2+
|
|
log_k 11.59
|
|
delta_h 0 kcal
|
|
Na+ + Acetate- = NaAcetate
|
|
log_k -0.18
|
|
delta_h 0 kcal
|
|
Na+ + Phthalate-2 = NaPhthalate-
|
|
log_k 0.7
|
|
delta_h 0 kcal
|
|
Mg+2 + Acetate- = MgAcetate+
|
|
log_k 1.27
|
|
delta_h 0 kcal
|
|
Mg+2 + Propanoate- = MgPropanoate+
|
|
log_k 0.54
|
|
delta_h 0 kcal
|
|
Mg+2 + Butanoate- = MgButanoate+
|
|
log_k 0.53
|
|
delta_h 0 kcal
|
|
Ca+2 + Acetate- = CaAcetate+
|
|
log_k 1.18
|
|
delta_h 0 kcal
|
|
Ca+2 + Isophthalate-2 = CaIsophthalate
|
|
log_k 2
|
|
delta_h 0 kcal
|
|
Ca+2 + Propanoate- = CaPropanoate+
|
|
log_k 0.5
|
|
delta_h 0 kcal
|
|
Ca+2 + Butanoate- = CaButanoate+
|
|
log_k 0.51
|
|
delta_h 0 kcal
|
|
Ca+2 + Phthalate-2 = CaPhthalate
|
|
log_k 2.42
|
|
delta_h 0 kcal
|
|
Mn+2 + Acetate- = MnAcetate+
|
|
log_k 1.4
|
|
delta_h 0 kcal
|
|
Fe+2 + Acetate- = FeAcetate+
|
|
log_k 1.4
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + Acetate- + 2 H+ = HgAcetate+ + 2 H2O
|
|
log_k 9.417
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 2 Acetate- + 2 H+ = HgAcetate2 + 2 H2O
|
|
log_k 13.11
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 3 Acetate- + 2 H+ = HgAcetate3- + 2 H2O
|
|
log_k 19.38
|
|
delta_h 0 kcal
|
|
Hg(OH)2 + 4 Acetate- + 2 H+ = HgAcetate4-2 + 2 H2O
|
|
log_k 23.16
|
|
delta_h 0 kcal
|
|
Fe+3 + Acetate- = FeAcetate+2
|
|
log_k 3.21
|
|
delta_h 0 kcal
|
|
Fe+3 + 2 Acetate- = FeAcetate2+
|
|
log_k 6.5
|
|
delta_h 0 kcal
|
|
Fe+3 + 3 Acetate- = FeAcetate3
|
|
log_k 8.3
|
|
delta_h 0 kcal
|
|
Ca+2 + Edta-4 = CaEdta-2
|
|
log_k 12.4
|
|
delta_h 0 kcal
|
|
Ca+2 + Edta-4 + H+ = CaHEdta-
|
|
log_k 16
|
|
delta_h 0 kcal
|
|
Mg+2 + Edta-4 = MgEdta-2
|
|
log_k 10.6
|
|
delta_h 0 kcal
|
|
Mg+2 + Edta-4 + H+ = MgHEdta-
|
|
log_k 15.1
|
|
delta_h 0 kcal
|
|
Fe+3 + Edta-4 = FeEdta-
|
|
log_k 27.7
|
|
delta_h 0 kcal
|
|
Fe+2 + Edta-4 = FeEdta-2
|
|
log_k 16.1
|
|
delta_h 0 kcal
|
|
Fe+3 + Edta-4 + H+ = FeHEdta
|
|
log_k 29.2
|
|
delta_h 0 kcal
|
|
Fe+2 + Edta-4 + H+ = FeHEdta-
|
|
log_k 19.3
|
|
delta_h 0 kcal
|
|
Fe+3 + Edta-4 + H2O = FeOHEdta-2 + H+
|
|
log_k 19.8
|
|
delta_h 0 kcal
|
|
Fe+3 + Edta-4 + 2 H2O = Fe(OH)2Edta-3 + 2 H+
|
|
log_k 9.7
|
|
delta_h 0 kcal
|
|
Fe+2 + Edta-4 + H2O = FeOHEdta-3 + H+
|
|
log_k 6.4
|
|
delta_h 0 kcal
|
|
Fe+2 + Edta-4 + 2 H2O = Fe(OH)2Edta-4 + 2 H+
|
|
log_k -4.3
|
|
delta_h 0 kcal
|
|
Al+3 + Edta-4 = AlEdta-
|
|
log_k 18.9
|
|
delta_h 0 kcal
|
|
Al+3 + Edta-4 + H+ = AlHEdta
|
|
log_k 21.6
|
|
delta_h 0 kcal
|
|
K+ + Edta-4 = KEdta-3
|
|
log_k 1.7
|
|
delta_h 0 kcal
|
|
Na+ + Edta-4 = NaEdta-3
|
|
log_k 2.5
|
|
delta_h 0 kcal
|
|
PHASES
|
|
Uraninite
|
|
UO2 + 4 H+ = U+4 + 2 H2O
|
|
log_k -4.7
|
|
delta_h -18.63 kcal
|
|
UO2(am)
|
|
UO2 + 4 H+ = U+4 + 2 H2O
|
|
log_k 0.934
|
|
delta_h -26.23 kcal
|
|
U4O9(C)
|
|
U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O
|
|
log_k -3.384
|
|
delta_h -101.235 kcal
|
|
U3O8(C)
|
|
U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O
|
|
log_k 21.107
|
|
delta_h -116.02 kcal
|
|
USiO4(C)
|
|
USiO4 + 4 H+ = U+4 + H4SiO4
|
|
log_k -7.62
|
|
delta_h -14.548 kcal
|
|
UF4(C)
|
|
UF4 = U+4 + 4 F-
|
|
log_k -18.606
|
|
delta_h -18.9 kcal
|
|
UF4:2.5H2O
|
|
UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O
|
|
log_k -27.57
|
|
delta_h -0.588 kcal
|
|
U(HPO4)2
|
|
# Minteq equation:
|
|
# U(HPO4)2 = U+4 + 2PO4-3 + 2H+ + 4H2O
|
|
U(HPO4)2 = U+4 + 2 PO4-3 + 2 H+
|
|
log_k -51.584
|
|
delta_h 3.84 kcal
|
|
Ningyoite
|
|
CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O
|
|
log_k -53.906
|
|
delta_h -2.27 kcal
|
|
UO3(C)
|
|
UO3 + 2 H+ = UO2+2 + H2O
|
|
log_k 7.719
|
|
delta_h -19.315 kcal
|
|
Gummite
|
|
UO3 + 2 H+ = UO2+2 + H2O
|
|
log_k 10.403
|
|
delta_h -23.015 kcal
|
|
B_UO2(OH)2
|
|
UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O
|
|
log_k 5.544
|
|
delta_h -13.73 kcal
|
|
Schoepite
|
|
UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O
|
|
log_k 5.404
|
|
delta_h -12.045 kcal
|
|
Rutherfordine
|
|
UO2CO3 = UO2+2 + CO3-2
|
|
log_k -14.439
|
|
delta_h -1.44 kcal
|
|
-analytical 4.54 -0.03318 -2716
|
|
(UO2)3(PO4)2
|
|
(UO2)3(PO4)2 = 3 UO2+2 + 2 PO4-3
|
|
log_k -49.037
|
|
delta_h 94.9 kcal
|
|
H-Autunite
|
|
H2(UO2)2(PO4)2 = 2 H+ + 2 UO2+2 + 2 PO4-3
|
|
log_k -47.931
|
|
delta_h -3.6 kcal
|
|
Na-Autunite
|
|
Na2(UO2)2(PO4)2 = 2 Na+ + 2 UO2+2 + 2 PO4-3
|
|
log_k -47.409
|
|
delta_h -0.46 kcal
|
|
K-Autunite
|
|
K2(UO2)2(PO4)2 = 2 K+ + 2 UO2+2 + 2 PO4-3
|
|
log_k -48.244
|
|
delta_h 5.86 kcal
|
|
Uramphite
|
|
(NH4)2(UO2)2(PO4)2 = 2 UO2+2 + 2 NH4+ + 2 PO4-3
|
|
log_k -51.749
|
|
delta_h 9.7 kcal
|
|
Saleeite
|
|
Mg(UO2)2(PO4)2 = 2 UO2+2 + Mg+2 + 2 PO4-3
|
|
log_k -43.646
|
|
delta_h -20.18 kcal
|
|
Autunite
|
|
Ca(UO2)2(PO4)2 = 2 UO2+2 + Ca+2 + 2 PO4-3
|
|
log_k -43.927
|
|
delta_h -14.34 kcal
|
|
Sr-Autunite
|
|
Sr(UO2)2(PO4)2 = 2 UO2+2 + Sr+2 + 2 PO4-3
|
|
log_k -44.457
|
|
delta_h -13.05 kcal
|
|
Uranocircite
|
|
Ba(UO2)2(PO4)2 = 2 UO2+2 + Ba+2 + 2 PO4-3
|
|
log_k -44.631
|
|
delta_h -10.1 kcal
|
|
Bassetite
|
|
Fe(UO2)2(PO4)2 = 2 UO2+2 + Fe+2 + 2 PO4-3
|
|
log_k -44.485
|
|
delta_h -19.9 kcal
|
|
Torbernite
|
|
Cu(UO2)2(PO4)2 = 2 UO2+2 + Cu+2 + 2 PO4-3
|
|
log_k -45.279
|
|
delta_h -15.9 kcal
|
|
Przhevalskite
|
|
Pb(UO2)2(PO4)2 = 2 UO2+2 + Pb+2 + 2 PO4-3
|
|
log_k -44.365
|
|
delta_h -11 kcal
|
|
Uranophane
|
|
Ca(UO2)2(SiO3OH)2 + 6 H+ = 2 UO2+2 + Ca+2 + 2 H4SiO4
|
|
log_k 17.49
|
|
delta_h -0 kcal
|
|
UO2(NO3)2
|
|
UO2(NO3)2 = UO2+2 + 2 NO3-
|
|
log_k 12.369
|
|
delta_h -20.14 kcal
|
|
UO2(NO3)2:2H2O
|
|
UO2(NO3)2:2H2O = UO2+2 + 2 NO3- + 2 H2O
|
|
log_k 4.851
|
|
delta_h -6.06 kcal
|
|
UO2(NO3)2:3H2O
|
|
UO2(NO3)2:3H2O = UO2+2 + 2 NO3- + 3 H2O
|
|
log_k 3.642
|
|
delta_h -2.405 kcal
|
|
UO2(NO3)2:6H2O
|
|
UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O
|
|
log_k 2.3
|
|
delta_h 4.77 kcal
|
|
Al(OH)3(a)
|
|
Al(OH)3 + 3 H+ = Al+3 + 3 H2O
|
|
log_k 10.38
|
|
delta_h -27.045 kcal
|
|
AlOHSO4
|
|
AlOHSO4 + H+ = Al+3 + SO4-2 + H2O
|
|
log_k -3.23
|
|
delta_h -0 kcal
|
|
Al4(OH)10SO4
|
|
Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O
|
|
log_k 22.7
|
|
delta_h -0 kcal
|
|
AlumK
|
|
KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O
|
|
log_k -5.17
|
|
delta_h 7.22 kcal
|
|
Alunite
|
|
KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O
|
|
log_k -1.346
|
|
delta_h 3.918 kcal
|
|
Anhydrite
|
|
CaSO4 = Ca+2 + SO4-2
|
|
log_k -4.637
|
|
delta_h -3.769 kcal
|
|
Aragonite
|
|
CaCO3 = Ca+2 + CO3-2
|
|
log_k -8.36
|
|
delta_h -2.615 kcal
|
|
# Minteq a_e has more constants than phreeqc, can not use
|
|
# -analytical_expression 10.21 -0.0217 0.0 0.0 5.170E-005
|
|
# This a_e is from wateq4f
|
|
-analytical -171.9773 -0.077993 2903.293 71.595 0
|
|
Artinite
|
|
MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O
|
|
log_k 9.6
|
|
delta_h -28.742 kcal
|
|
BaF2
|
|
BaF2 = Ba+2 + 2 F-
|
|
log_k -5.76
|
|
delta_h 1 kcal
|
|
Barite
|
|
BaSO4 = Ba+2 + SO4-2
|
|
log_k -9.976
|
|
delta_h 6.28 kcal
|
|
Boehmite
|
|
AlOOH + 3 H+ = Al+3 + 2 H2O
|
|
log_k 8.578
|
|
delta_h -28.13 kcal
|
|
Brucite
|
|
Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O
|
|
log_k 16.792
|
|
delta_h -25.84 kcal
|
|
Calcite
|
|
CaCO3 = Ca+2 + CO3-2
|
|
log_k -8.475
|
|
delta_h -2.585 kcal
|
|
-analytical_expression 13.543 -0.0401 -3000
|
|
Celestite
|
|
SrSO4 = Sr+2 + SO4-2
|
|
log_k -6.465
|
|
delta_h -0.47 kcal
|
|
Chalcedony
|
|
SiO2 + 2 H2O = H4SiO4
|
|
log_k -3.523
|
|
delta_h 4.615 kcal
|
|
Chrysotile
|
|
Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O
|
|
log_k 32.188
|
|
delta_h -52.485 kcal
|
|
Clinoenstatite
|
|
MgSiO3 + H2O + 2 H+ = Mg+2 + H4SiO4
|
|
log_k 11.338
|
|
delta_h -20.015 kcal
|
|
Cristobalite
|
|
SiO2 + 2 H2O = H4SiO4
|
|
log_k -3.587
|
|
delta_h 5.5 kcal
|
|
Diaspore
|
|
AlOOH + 3 H+ = Al+3 + 2 H2O
|
|
log_k 6.873
|
|
delta_h -24.63 kcal
|
|
Diopside
|
|
CaMgSi2O6 + 2 H2O + 4 H+ = Ca+2 + Mg+2 + 2 H4SiO4
|
|
log_k 19.886
|
|
delta_h -32.28 kcal
|
|
Dolomite
|
|
CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2
|
|
log_k -17
|
|
delta_h -8.29 kcal
|
|
Epsomite
|
|
MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O
|
|
log_k -2.14
|
|
delta_h 2.82 kcal
|
|
Sepiolite(c)
|
|
Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4
|
|
log_k 15.913
|
|
delta_h -27.268 kcal
|
|
Ferrihydrite
|
|
Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O
|
|
log_k 4.891
|
|
delta_h -0 kcal
|
|
Fe3(OH)8
|
|
Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O
|
|
log_k 20.222
|
|
delta_h -0 kcal
|
|
Fe(OH)2.7Cl0.3
|
|
Fe(OH)2.7Cl0.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl-
|
|
log_k -3.04
|
|
delta_h -0 kcal
|
|
FeS(ppt)
|
|
FeS + H+ = Fe+2 + HS-
|
|
log_k -3.915
|
|
delta_h -0 kcal
|
|
Fe2(SO4)3
|
|
Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2
|
|
log_k 3.58
|
|
delta_h -59.12 kcal
|
|
Hydroxyapatite
|
|
Ca5(PO4)3OH + H+ = 5 Ca+2 + 3 PO4-3 + H2O
|
|
log_k -44.199
|
|
delta_h -0 kcal
|
|
FCO3Apatite
|
|
# FCO3APATITE = 9.496Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F-
|
|
Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F-
|
|
log_k -114.4
|
|
delta_h 39.39 kcal
|
|
Fluorite
|
|
CaF2 = Ca+2 + 2 F-
|
|
log_k -10.96
|
|
delta_h 4.71 kcal
|
|
# Minteq a_e has more constants than phreeqc, can not use
|
|
# -analytical_expression -109.25 -0.0024 3120.98 37.624 4.900E-007 2088.47 298.4
|
|
# This a_e is from wateq4f
|
|
-analytical 66.348 0 -4298.2 -25.271 0
|
|
|
|
Forsterite
|
|
Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4
|
|
log_k 28.298
|
|
delta_h -48.51 kcal
|
|
Gibbsite(C)
|
|
Al(OH)3 + 3 H+ = Al+3 + 3 H2O
|
|
log_k 8.77
|
|
delta_h -22.8 kcal
|
|
Al2O3
|
|
Al2O3 + 6 H+ = 2 Al+3 + 3 H2O
|
|
log_k 22.98
|
|
delta_h -0 kcal
|
|
Goethite
|
|
FeOOH + 3 H+ = Fe+3 + 2 H2O
|
|
log_k 0.5
|
|
delta_h -14.48 kcal
|
|
Greenalite
|
|
Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O
|
|
log_k 20.81
|
|
delta_h -0 kcal
|
|
Greigite
|
|
Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS-
|
|
log_k -45.035
|
|
delta_h -0 kcal
|
|
Gypsum
|
|
CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O
|
|
# # Log K gives too small a solubility < 10 mmol/L
|
|
# # D. Parkhurst 7/13/09, Replacing log K with minteq version 4 log K
|
|
# log_k -4.848
|
|
# delta_h 0.261 kcal
|
|
log_k -4.61
|
|
delta_h 1 kJ
|
|
|
|
Halite
|
|
NaCl = Na+ + Cl-
|
|
log_k 1.582
|
|
delta_h 0.918 kcal
|
|
Hematite
|
|
Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
|
|
log_k -4.008
|
|
delta_h -30.845 kcal
|
|
Huntite
|
|
CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2
|
|
log_k -29.968
|
|
delta_h -25.76 kcal
|
|
Hydromagnesite
|
|
Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O
|
|
log_k -8.766
|
|
delta_h -52.21 kcal
|
|
Jarosite-Na
|
|
NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
|
|
log_k -11.2
|
|
delta_h -36.18 kcal
|
|
Jarosite-K
|
|
KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O
|
|
log_k -14.8
|
|
delta_h -31.28 kcal
|
|
Jarosite-H
|
|
(H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O
|
|
log_k -12.1
|
|
delta_h -55.15 kcal
|
|
Mackinawite
|
|
FeS + H+ = Fe+2 + HS-
|
|
log_k -4.648
|
|
delta_h -0 kcal
|
|
Magadiite
|
|
NaSi7O13(OH)3:3H2O + H+ + 9 H2O = Na+ + 7 H4SiO4
|
|
log_k -14.3
|
|
delta_h -0 kcal
|
|
Maghemite
|
|
Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O
|
|
log_k 6.386
|
|
delta_h -0 kcal
|
|
Magnesite
|
|
MgCO3 = Mg+2 + CO3-2
|
|
log_k -8.029
|
|
delta_h -6.169 kcal
|
|
Magnetite
|
|
Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O
|
|
log_k 3.737
|
|
delta_h -50.46 kcal
|
|
Melanterite
|
|
FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O
|
|
log_k -2.47
|
|
delta_h 2.86 kcal
|
|
Mirabilite
|
|
Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O
|
|
log_k -1.114
|
|
delta_h 18.987 kcal
|
|
Natron
|
|
Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O
|
|
log_k -1.311
|
|
delta_h 15.745 kcal
|
|
Nesquehonite
|
|
MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O
|
|
log_k -5.621
|
|
delta_h -5.789 kcal
|
|
Phlogopite
|
|
KMg3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Mg+2 + Al+3 + 3 H4SiO4
|
|
log_k 66.3
|
|
delta_h -86.36 kcal
|
|
Pyrite
|
|
FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS-
|
|
log_k -18.479
|
|
delta_h 11.3 kcal
|
|
Quartz
|
|
SiO2 + 2 H2O = H4SiO4
|
|
log_k -4.006
|
|
delta_h 6.22 kcal
|
|
Sepiolite(a)
|
|
Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4
|
|
log_k 18.78
|
|
delta_h -0 kcal
|
|
Siderite
|
|
FeCO3 = Fe+2 + CO3-2
|
|
log_k -10.55
|
|
delta_h -5.328 kcal
|
|
SiO2(a)
|
|
SiO2 + 2 H2O = H4SiO4
|
|
log_k -3.018
|
|
delta_h 4.44 kcal
|
|
SiO2(am)
|
|
SiO2 + 2 H2O = H4SiO4
|
|
log_k -2.71
|
|
delta_h 3.91 kcal
|
|
SrF2
|
|
SrF2 = Sr+2 + 2 F-
|
|
log_k -8.54
|
|
delta_h 1.25 kcal
|
|
Strengite
|
|
FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O
|
|
log_k -26.4
|
|
delta_h -2.03 kcal
|
|
|
|
Strontianite
|
|
SrCO3 = Sr+2 + CO3-2
|
|
log_k -9.25
|
|
delta_h -0.69 kcal
|
|
Talc
|
|
Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4
|
|
log_k 23.055
|
|
delta_h -35.005 kcal
|
|
Thenardite
|
|
Na2SO4 = 2 Na+ + SO4-2
|
|
log_k -0.179
|
|
delta_h -0.572 kcal
|
|
Thermonatrite
|
|
Na2CO3:H2O = 2 Na+ + CO3-2 + H2O
|
|
log_k 0.125
|
|
delta_h -2.802 kcal
|
|
Tremolite
|
|
Ca2Mg5Si8O22(OH)2 + 8 H2O + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4
|
|
log_k 56.546
|
|
delta_h -96.615 kcal
|
|
Vivianite
|
|
Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O
|
|
log_k -36
|
|
delta_h -0 kcal
|
|
Witherite
|
|
BaCO3 = Ba+2 + CO3-2
|
|
log_k -8.585
|
|
delta_h 0.36 kcal
|
|
Pyrolusite
|
|
MnO2 + 4 H+ + e- = Mn+3 + 2 H2O
|
|
log_k 15.861
|
|
delta_h -29.18 kcal
|
|
Birnessite
|
|
MnO2 + 4 H+ + e- = Mn+3 + 2 H2O
|
|
log_k 18.091
|
|
delta_h -0 kcal
|
|
Nsutite
|
|
MnO2 + 4 H+ + e- = Mn+3 + 2 H2O
|
|
log_k 17.504
|
|
delta_h -0 kcal
|
|
Bixbyite
|
|
Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O
|
|
log_k -0.611
|
|
delta_h -15.245 kcal
|
|
Hausmannite
|
|
Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O
|
|
log_k 61.54
|
|
delta_h -80.14 kcal
|
|
Pyrocroite
|
|
Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O
|
|
log_k 15.088
|
|
delta_h -22.59 kcal
|
|
Manganite
|
|
MnOOH + 3 H+ = Mn+3 + 2 H2O
|
|
log_k -0.238
|
|
delta_h -0 kcal
|
|
Rhodochrosite
|
|
MnCO3 = Mn+2 + CO3-2
|
|
log_k -10.41
|
|
delta_h -2.079 kcal
|
|
MnCl2:4H2O
|
|
MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O
|
|
log_k 2.71
|
|
delta_h 17.38 kcal
|
|
MnS(Green)
|
|
MnS + H+ = Mn+2 + HS-
|
|
log_k 3.8
|
|
delta_h -5.79 kcal
|
|
MnSO4
|
|
MnSO4 = Mn+2 + SO4-2
|
|
log_k 2.669
|
|
delta_h -15.48 kcal
|
|
Mn2(SO4)3
|
|
Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2
|
|
log_k -5.711
|
|
delta_h -39.06 kcal
|
|
Mn3(PO4)2
|
|
Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3
|
|
log_k -23.827
|
|
delta_h 2.12 kcal
|
|
CuMetal
|
|
Cu = Cu+ + e-
|
|
log_k -8.76
|
|
delta_h 17.13 kcal
|
|
Nantokite
|
|
CuCl = Cu+ + Cl-
|
|
log_k -6.76
|
|
delta_h 9.98 kcal
|
|
CuF
|
|
CuF = Cu+ + F-
|
|
log_k 7.08
|
|
delta_h -12.37 kcal
|
|
Cuprite
|
|
Cu2O + 2 H+ = 2 Cu+ + H2O
|
|
log_k -1.55
|
|
delta_h 6.245 kcal
|
|
Chalcocite
|
|
Cu2S + H+ = 2 Cu+ + HS-
|
|
log_k -34.619
|
|
delta_h 49.35 kcal
|
|
Djurleite
|
|
Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS-
|
|
log_k -33.92
|
|
delta_h 47.881 kcal
|
|
Anilite
|
|
Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS-
|
|
log_k -31.878
|
|
delta_h 43.535 kcal
|
|
BlaubleiII
|
|
Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS-
|
|
log_k -27.279
|
|
delta_h -0 kcal
|
|
BlaubleiI
|
|
Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS-
|
|
log_k -24.162
|
|
delta_h -0 kcal
|
|
Covellite
|
|
CuS + H+ = Cu+2 + HS-
|
|
log_k -23.038
|
|
delta_h 24.01 kcal
|
|
Cu2SO4
|
|
Cu2SO4 = 2 Cu+ + SO4-2
|
|
log_k -1.95
|
|
delta_h -4.56 kcal
|
|
CuprousFerrite
|
|
CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O
|
|
log_k -8.92
|
|
delta_h -3.8 kcal
|
|
Melanothallite
|
|
CuCl2 = Cu+2 + 2 Cl-
|
|
log_k 3.73
|
|
delta_h -12.32 kcal
|
|
CuCO3
|
|
CuCO3 = Cu+2 + CO3-2
|
|
log_k -9.63
|
|
delta_h -0 kcal
|
|
CuF2
|
|
CuF2 = Cu+2 + 2 F-
|
|
log_k -0.62
|
|
delta_h -13.32 kcal
|
|
CuF2:2H2O
|
|
CuF2:2H2O = Cu+2 + 2 F- + 2 H2O
|
|
log_k -4.55
|
|
delta_h -3.65 kcal
|
|
Cu(OH)2
|
|
Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O
|
|
log_k 8.64
|
|
delta_h -15.25 kcal
|
|
Atacamite
|
|
Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl-
|
|
log_k 7.34
|
|
delta_h -18.69 kcal
|
|
Cu2(OH)3NO3
|
|
Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3-
|
|
log_k 9.24
|
|
delta_h -17.35 kcal
|
|
Antlerite
|
|
Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2
|
|
log_k 8.29
|
|
delta_h -0 kcal
|
|
Brochantite
|
|
Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2
|
|
log_k 15.34
|
|
delta_h -0 kcal
|
|
Langite
|
|
Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2
|
|
log_k 16.79
|
|
delta_h -39.61 kcal
|
|
Tenorite
|
|
CuO + 2 H+ = Cu+2 + H2O
|
|
log_k 7.62
|
|
delta_h -15.24 kcal
|
|
CuOCuSO4
|
|
CuO:CuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2
|
|
log_k 11.53
|
|
delta_h -35.575 kcal
|
|
Cu3(PO4)2
|
|
Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3
|
|
log_k -36.85
|
|
delta_h -0 kcal
|
|
Cu3(PO4)2:3H2O
|
|
Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O
|
|
log_k -35.12
|
|
delta_h -0 kcal
|
|
CuSO4
|
|
CuSO4 = Cu+2 + SO4-2
|
|
log_k 3.01
|
|
delta_h -18.14 kcal
|
|
Chalcanthite
|
|
CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O
|
|
log_k -2.64
|
|
delta_h 1.44 kcal
|
|
Dioptase
|
|
CuSiO3:H2O + 2 H+ = Cu+2 + H4SiO4
|
|
log_k 6.5
|
|
delta_h -8.96 kcal
|
|
CupricFerrite
|
|
CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O
|
|
log_k 5.88
|
|
delta_h -38.69 kcal
|
|
Chalcopyrite
|
|
CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS-
|
|
log_k -35.27
|
|
delta_h 35.48 kcal
|
|
CuBr
|
|
CuBr = Cu+ + Br-
|
|
log_k -8.21
|
|
delta_h 13.08 kcal
|
|
CuI
|
|
CuI = Cu+ + I-
|
|
log_k -11.89
|
|
delta_h 20.14 kcal
|
|
ZnMetal
|
|
Zn = Zn+2 + 2 e-
|
|
log_k 25.757
|
|
delta_h -36.78 kcal
|
|
ZnCl2
|
|
ZnCl2 = Zn+2 + 2 Cl-
|
|
log_k 7.03
|
|
delta_h -17.48 kcal
|
|
Smithsonite
|
|
ZnCO3 = Zn+2 + CO3-2
|
|
log_k -10
|
|
delta_h -4.36 kcal
|
|
ZnCO3:H2O
|
|
ZnCO3:H2O = Zn+2 + CO3-2 + H2O
|
|
log_k -10.26
|
|
delta_h -0 kcal
|
|
ZnF2
|
|
ZnF2 = Zn+2 + 2 F-
|
|
log_k -1.52
|
|
delta_h -13.08 kcal
|
|
Zn(OH)2(A)
|
|
Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
|
|
log_k 12.45
|
|
delta_h -0 kcal
|
|
Zn(OH)2(C)
|
|
Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
|
|
log_k 12.2
|
|
delta_h -0 kcal
|
|
Zn(OH)2(B)
|
|
Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
|
|
log_k 11.75
|
|
delta_h -0 kcal
|
|
Zn(OH)2(G)
|
|
Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
|
|
log_k 11.71
|
|
delta_h -0 kcal
|
|
Zn(OH)2(E)
|
|
Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O
|
|
log_k 11.5
|
|
delta_h -0 kcal
|
|
Zn2(OH)3Cl
|
|
Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl-
|
|
log_k 15.2
|
|
delta_h -0 kcal
|
|
Zn5(OH)8Cl2
|
|
Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl-
|
|
log_k 38.5
|
|
delta_h -0 kcal
|
|
Zn2(OH)2SO4
|
|
Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2
|
|
log_k 7.5
|
|
delta_h -0 kcal
|
|
Zn4(OH)6SO4
|
|
Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2
|
|
log_k 28.4
|
|
delta_h -0 kcal
|
|
Zn(NO3)2:6H2O
|
|
Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O
|
|
log_k 3.44
|
|
delta_h 5.51 kcal
|
|
ZnO(Active)
|
|
ZnO + 2 H+ = Zn+2 + H2O
|
|
log_k 11.31
|
|
delta_h -0 kcal
|
|
Zincite
|
|
ZnO + 2 H+ = Zn+2 + H2O
|
|
log_k 11.14
|
|
delta_h -21.86 kcal
|
|
Zn3O(SO4)2
|
|
Zn3O(SO4)2 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O
|
|
log_k 19.02
|
|
delta_h -62 kcal
|
|
Zn3(PO4)2:4H2O
|
|
Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O
|
|
log_k -32.04
|
|
delta_h -0 kcal
|
|
ZnS(A)
|
|
ZnS + H+ = Zn+2 + HS-
|
|
log_k -9.052
|
|
delta_h 3.67 kcal
|
|
Sphalerite
|
|
ZnS + H+ = Zn+2 + HS-
|
|
log_k -11.618
|
|
delta_h 8.25 kcal
|
|
Wurtzite
|
|
ZnS + H+ = Zn+2 + HS-
|
|
log_k -9.682
|
|
delta_h 5.06 kcal
|
|
ZnSiO3
|
|
ZnSiO3 + 2 H+ + H2O = Zn+2 + H4SiO4
|
|
log_k 2.93
|
|
delta_h -18.27 kcal
|
|
Willemite
|
|
Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4
|
|
log_k 15.33
|
|
delta_h -33.37 kcal
|
|
Zincosite
|
|
ZnSO4 = Zn+2 + SO4-2
|
|
log_k 3.01
|
|
delta_h -19.2 kcal
|
|
ZnSO4:H2O
|
|
ZnSO4:H2O = Zn+2 + SO4-2 + H2O
|
|
log_k -0.57
|
|
delta_h -10.64 kcal
|
|
Bianchite
|
|
ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O
|
|
log_k -1.765
|
|
delta_h -0.16 kcal
|
|
Goslarite
|
|
ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O
|
|
log_k -1.96
|
|
delta_h 3.3 kcal
|
|
ZnBr2:2H2O
|
|
ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O
|
|
log_k 5.21
|
|
delta_h -7.51 kcal
|
|
ZnI2
|
|
ZnI2 = Zn+2 + 2 I-
|
|
log_k 7.23
|
|
delta_h -13.44 kcal
|
|
CdMetal
|
|
Cd = Cd+2 + 2 e-
|
|
log_k 13.49
|
|
delta_h -18 kcal
|
|
Cd(Gamma)
|
|
Cd = Cd+2 + 2 e-
|
|
log_k 13.59
|
|
delta_h -18.14 kcal
|
|
Otavite
|
|
CdCO3 = Cd+2 + CO3-2
|
|
log_k -13.74
|
|
delta_h -0.58 kcal
|
|
CdCl2
|
|
CdCl2 = Cd+2 + 2 Cl-
|
|
log_k -0.68
|
|
delta_h -4.47 kcal
|
|
CdCl2:H2O
|
|
CdCl2:H2O = Cd+2 + 2 Cl- + H2O
|
|
log_k -1.71
|
|
delta_h -1.82 kcal
|
|
CdCl2:2.5H2O
|
|
CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O
|
|
log_k -1.94
|
|
delta_h 1.71 kcal
|
|
CdF2
|
|
CdF2 = Cd+2 + 2 F-
|
|
log_k -2.98
|
|
delta_h -9.72 kcal
|
|
Cd(OH)2(A)
|
|
Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
|
|
log_k 13.73
|
|
delta_h -20.77 kcal
|
|
Cd(OH)2(C)
|
|
Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O
|
|
log_k 13.65
|
|
delta_h -0 kcal
|
|
CdOHCl
|
|
CdOHCl + H+ = Cd+2 + H2O + Cl-
|
|
log_k 3.52
|
|
delta_h -7.407 kcal
|
|
Cd3(OH)4SO4
|
|
Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2
|
|
log_k 22.56
|
|
delta_h -0 kcal
|
|
Cd3(OH)2(SO4)2
|
|
Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2
|
|
log_k 6.71
|
|
delta_h -0 kcal
|
|
Cd4(OH)6SO4
|
|
Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2
|
|
log_k 28.4
|
|
delta_h -0 kcal
|
|
Monteponite
|
|
CdO + 2 H+ = Cd+2 + H2O
|
|
log_k 15.12
|
|
delta_h -24.76 kcal
|
|
Cd3(PO4)2
|
|
Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3
|
|
log_k -32.6
|
|
delta_h -0 kcal
|
|
CdSiO3
|
|
CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4
|
|
log_k 9.06
|
|
delta_h -16.63 kcal
|
|
CdSO4
|
|
CdSO4 = Cd+2 + SO4-2
|
|
log_k -0.1
|
|
delta_h -14.74 kcal
|
|
CdSO4:H2O
|
|
CdSO4:H2O = Cd+2 + SO4-2 + H2O
|
|
log_k -1.657
|
|
delta_h -7.52 kcal
|
|
CdSO4:2.67H2O
|
|
CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O
|
|
log_k -1.873
|
|
delta_h -4.3 kcal
|
|
Greenockite
|
|
CdS + H+ = Cd+2 + HS-
|
|
log_k -15.93
|
|
delta_h 16.36 kcal
|
|
CdBr2:4H2O
|
|
CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O
|
|
log_k -2.42
|
|
delta_h 7.23 kcal
|
|
CdI2
|
|
CdI2 = Cd+2 + 2 I-
|
|
log_k -3.61
|
|
delta_h 4.08 kcal
|
|
PbMetal
|
|
Pb = Pb+2 + 2 e-
|
|
log_k 4.27
|
|
delta_h 0.4 kcal
|
|
Cotunnite
|
|
PbCl2 = Pb+2 + 2 Cl-
|
|
log_k -4.77
|
|
delta_h 5.6 kcal
|
|
Matlockite
|
|
PbClF = Pb+2 + Cl- + F-
|
|
log_k -9.43
|
|
delta_h 7.95 kcal
|
|
Phosgenite
|
|
PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2
|
|
log_k -19.81
|
|
delta_h -0 kcal
|
|
Cerussite
|
|
PbCO3 = Pb+2 + CO3-2
|
|
log_k -13.13
|
|
delta_h 4.86 kcal
|
|
PbF2
|
|
PbF2 = Pb+2 + 2 F-
|
|
log_k -7.44
|
|
delta_h -0.7 kcal
|
|
Massicot
|
|
PbO + 2 H+ = Pb+2 + H2O
|
|
log_k 12.91
|
|
delta_h -16.78 kcal
|
|
Litharge
|
|
PbO + 2 H+ = Pb+2 + H2O
|
|
log_k 12.72
|
|
delta_h -16.38 kcal
|
|
PbO:0.3H2O
|
|
PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O
|
|
log_k 12.98
|
|
delta_h -0 kcal
|
|
Pb2OCO3
|
|
Pb2OCO3 + 2 H+ = 2 Pb+2 + H2O + CO3-2
|
|
log_k -0.5
|
|
delta_h -11.46 kcal
|
|
Larnakite
|
|
PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O
|
|
log_k -0.28
|
|
delta_h -6.44 kcal
|
|
Pb3O2SO4
|
|
Pb3O2SO4 + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O
|
|
log_k 10.4
|
|
delta_h -20.75 kcal
|
|
Pb4O3SO4
|
|
Pb4O3SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O
|
|
log_k 22.1
|
|
delta_h -35.07 kcal
|
|
ClPyromorphite
|
|
Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl-
|
|
log_k -84.43
|
|
delta_h -0 kcal
|
|
Hxypyromorphite
|
|
Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O
|
|
log_k -62.79
|
|
delta_h -0 kcal
|
|
Pb3O2CO3
|
|
Pb3O2CO3 + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O
|
|
log_k 11.02
|
|
delta_h -26.43 kcal
|
|
Plumbogummite
|
|
PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O
|
|
log_k -32.79
|
|
delta_h -0 kcal
|
|
Hinsdalite
|
|
PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O
|
|
log_k -2.5
|
|
delta_h -0 kcal
|
|
Tsumebite
|
|
Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O
|
|
log_k -9.79
|
|
delta_h -0 kcal
|
|
PbSiO3
|
|
PbSiO3 + H2O + 2 H+ = Pb+2 + H4SiO4
|
|
log_k 7.32
|
|
delta_h -9.26 kcal
|
|
Pb2SiO4
|
|
Pb2SiO4 + 4 H+ = 2 Pb+2 + H4SiO4
|
|
log_k 19.76
|
|
delta_h -26 kcal
|
|
Anglesite
|
|
PbSO4 = Pb+2 + SO4-2
|
|
log_k -7.79
|
|
delta_h 2.15 kcal
|
|
Galena
|
|
PbS + H+ = Pb+2 + HS-
|
|
log_k -15.132
|
|
delta_h 19.4 kcal
|
|
Plattnerite
|
|
PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O
|
|
log_k 49.3
|
|
delta_h -70.73 kcal
|
|
Pb2O3
|
|
Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O
|
|
log_k 61.04
|
|
delta_h -0 kcal
|
|
Minium
|
|
Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O
|
|
log_k 73.69
|
|
delta_h -102.76 kcal
|
|
Pb(OH)2(C)
|
|
Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O
|
|
log_k 8.15
|
|
delta_h -13.99 kcal
|
|
Laurionite
|
|
PbOHCl + H+ = Pb+2 + Cl- + H2O
|
|
log_k 0.623
|
|
delta_h -0 kcal
|
|
Pb2(OH)3Cl
|
|
Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl-
|
|
log_k 8.793
|
|
delta_h -0 kcal
|
|
Hydcerussite
|
|
Pb(OH)2:2PbCO3 + 2 H+ = 3 Pb+2 + 2 CO3-2 + 2 H2O
|
|
log_k -17.46
|
|
delta_h -0 kcal
|
|
Pb2O(OH)2
|
|
Pb2O(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O
|
|
log_k 26.2
|
|
delta_h -0 kcal
|
|
PbBr2
|
|
PbBr2 = Pb+2 + 2 Br-
|
|
log_k -5.18
|
|
delta_h 8.1 kcal
|
|
PbBrF
|
|
PbBrF = Pb+2 + Br- + F-
|
|
log_k -8.49
|
|
delta_h -0 kcal
|
|
PbI2
|
|
PbI2 = Pb+2 + 2 I-
|
|
log_k -8.07
|
|
delta_h 15.16 kcal
|
|
Pb4(OH)6SO4
|
|
Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O
|
|
log_k 21.1
|
|
delta_h -0 kcal
|
|
NiCO3
|
|
NiCO3 = Ni+2 + CO3-2
|
|
log_k -6.84
|
|
delta_h -9.94 kcal
|
|
Ni(OH)2
|
|
Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O
|
|
log_k 10.8
|
|
delta_h 30.45 kcal
|
|
Ni4(OH)6SO4
|
|
Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O
|
|
log_k 32
|
|
delta_h -0 kcal
|
|
Bunsenite
|
|
NiO + 2 H+ = Ni+2 + H2O
|
|
log_k 12.45
|
|
delta_h -23.92 kcal
|
|
Ni3(PO4)2
|
|
Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3
|
|
log_k -31.3
|
|
delta_h -0 kcal
|
|
Millerite
|
|
NiS + H+ = Ni+2 + HS-
|
|
log_k -8.042
|
|
delta_h 2.5 kcal
|
|
Retgersite
|
|
NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O
|
|
log_k -2.04
|
|
delta_h 1.1 kcal
|
|
Morenosite
|
|
NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O
|
|
log_k -2.36
|
|
delta_h 2.94 kcal
|
|
Ni2SiO4
|
|
Ni2SiO4 + 4 H+ = 2 Ni+2 + H4SiO4
|
|
log_k 14.54
|
|
delta_h -33.36 kcal
|
|
AgMetal
|
|
Ag = Ag+ + e-
|
|
log_k -13.51
|
|
delta_h 25.234 kcal
|
|
Bromyrite
|
|
AgBr = Ag+ + Br-
|
|
log_k -12.27
|
|
delta_h 20.17 kcal
|
|
Cerargyrite
|
|
AgCl = Ag+ + Cl-
|
|
log_k -9.75
|
|
delta_h 15.652 kcal
|
|
Ag2CO3
|
|
Ag2CO3 = 2 Ag+ + CO3-2
|
|
log_k -11.07
|
|
delta_h 9.53 kcal
|
|
AgF:4H2O
|
|
AgF:4H2O = Ag+ + F- + 4 H2O
|
|
log_k 0.55
|
|
delta_h 4.27 kcal
|
|
Iodyrite
|
|
AgI = Ag+ + I-
|
|
log_k -16.07
|
|
delta_h 26.82 kcal
|
|
Ag2O
|
|
Ag2O + 2 H+ = 2 Ag+ + H2O
|
|
log_k 12.58
|
|
delta_h -10.43 kcal
|
|
Ag3PO4
|
|
Ag3PO4 = 3 Ag+ + PO4-3
|
|
log_k -17.55
|
|
delta_h -0 kcal
|
|
Acanthite
|
|
Ag2S + H+ = 2 Ag+ + HS-
|
|
log_k -36.05
|
|
delta_h 53.3 kcal
|
|
Ag2SO4
|
|
Ag2SO4 = 2 Ag+ + SO4-2
|
|
log_k -4.92
|
|
delta_h 4.25 kcal
|
|
Analcime
|
|
NaAlSi2O6:H2O + H2O + 4 H+ = Na+ + Al+3 + 2 H4SiO4
|
|
log_k 6.719
|
|
delta_h -22.84 kcal
|
|
Halloysite
|
|
Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
|
|
log_k 8.994
|
|
delta_h -39.73 kcal
|
|
Kaolinite
|
|
Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O
|
|
log_k 5.726
|
|
delta_h -35.28 kcal
|
|
Leonhardite
|
|
Ca2Al4Si8O24:7H2O + H2O + 16 H+ = 2 Ca+2 + 8 H4SiO4 + 4 Al+3
|
|
log_k 16.49
|
|
delta_h -85.36 kcal
|
|
Albite(low)
|
|
NaAlSi3O8 + 4 H+ + 4 H2O = Na+ + Al+3 + 3 H4SiO4
|
|
log_k 2.592
|
|
delta_h -17.4 kcal
|
|
Albite
|
|
NaAlSi3O8 + 4 H+ + 4 H2O = Na+ + Al+3 + 3 H4SiO4
|
|
log_k 3.506
|
|
delta_h -20 kcal
|
|
Muscovite
|
|
KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4
|
|
log_k 12.99
|
|
delta_h -59.34 kcal
|
|
Annite
|
|
KFe3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Fe+2 + Al+3 + 3 H4SiO4
|
|
log_k 23.29
|
|
delta_h -65.72 kcal
|
|
Anorthite
|
|
CaAl2Si2O8 + 8 H+ = Ca+2 + 2 Al+3 + 2 H4SiO4
|
|
log_k 25.43
|
|
delta_h -70.66 kcal
|
|
Pyrophyllite
|
|
Al2Si4O10(OH)2 + 4 H2O + 6 H+ = 2 Al+3 + 4 H4SiO4
|
|
log_k -1.598
|
|
delta_h -0 kcal
|
|
Laumontite
|
|
CaAl2Si4O12:4H2O + 8 H+ = Ca+2 + 2 Al+3 + 4 H4SiO4
|
|
log_k 14.46
|
|
delta_h -50.45 kcal
|
|
Wairakite
|
|
CaAl2Si4O12:2H2O + 8 H+ + 2 H2O = Ca+2 + 2 Al+3 + 4 H4SiO4
|
|
log_k 18.87
|
|
delta_h -63.15 kcal
|
|
Malachite
|
|
Cu2(OH)2CO3 + 2 H+ = 2 Cu+2 + 2 H2O + CO3-2
|
|
log_k -5.18
|
|
delta_h -15.61 kcal
|
|
Azurite
|
|
Cu3(OH)2(CO3)2 + 2 H+ = 3 Cu+2 + 2 H2O + 2 CO3-2
|
|
log_k -16.92
|
|
delta_h -23.77 kcal
|
|
Arsenolite
|
|
As4O6 + 6 H2O = 4 H3AsO3
|
|
log_k -2.801
|
|
delta_h 14.33 kcal
|
|
Claudetite
|
|
As4O6 + 6 H2O = 4 H3AsO3
|
|
log_k -3.065
|
|
delta_h 13.29 kcal
|
|
AsI3
|
|
AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+
|
|
log_k 4.155
|
|
delta_h 1.875 kcal
|
|
Oripment
|
|
As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+
|
|
log_k -60.971
|
|
delta_h 82.89 kcal
|
|
Realgar
|
|
AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e-
|
|
log_k -19.747
|
|
delta_h 30.545 kcal
|
|
As2O5
|
|
As2O5 + 3 H2O = 2 H3AsO4
|
|
log_k 6.699
|
|
delta_h -5.405 kcal
|
|
Sb
|
|
Sb + 3 H2O = Sb(OH)3 + 3 H+ + 3 e-
|
|
log_k -11.7058
|
|
delta_h 20.045 kcal
|
|
Stibnite
|
|
Sb2S3 + 6 H2O = 2 Sb(OH)3 + 3 HS- + 3 H+
|
|
log_k -60.156
|
|
delta_h 69.29 kcal
|
|
Sb2Se3
|
|
Sb2Se3 + 6 H2O = 2 Sb(OH)3 + 3 HSe- + 3 H+
|
|
log_k -67.7571
|
|
delta_h 81.99 kcal
|
|
NiSb
|
|
NiSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Ni+2
|
|
log_k -18.5225
|
|
delta_h 22.945 kcal
|
|
ZnSb
|
|
ZnSb + 3 H2O = Sb(OH)3 + 5 e- + Zn+2 + 3 H+
|
|
log_k 11.0138
|
|
delta_h -13.116 kcal
|
|
AlSb
|
|
AlSb + 3 H2O = Sb(OH)3 + 6 e- + Al+3 + 3 H+
|
|
log_k 65.6241
|
|
delta_h -0 kcal
|
|
CdSb
|
|
CdSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Cd+2
|
|
log_k -0.3943
|
|
delta_h 5.345 kcal
|
|
Mg2Sb3
|
|
Mg2Sb3 + 9 H2O = 2 Mg+2 + 3 Sb(OH)3 + 9 H+ + 13 e-
|
|
log_k 74.6838
|
|
delta_h -0 kcal
|
|
Ag3Sb
|
|
Ag3Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 Ag+ + 3 H+
|
|
log_k -56.1818
|
|
delta_h -0 kcal
|
|
Na3Sb
|
|
Na3Sb + 3 H2O = 3 Na+ + Sb(OH)3 + 3 H+ + 6 e-
|
|
log_k 94.4084
|
|
delta_h -103.245 kcal
|
|
NaSb
|
|
NaSb + 3 H2O = Na+ + Sb(OH)3 + 3 H+ + 4 e-
|
|
log_k 23.177
|
|
delta_h -22.385 kcal
|
|
Mn2Sb
|
|
Mn2Sb + 3 H2O = 2 Mn+2 + Sb(OH)3 + 7 e- + 3 H+
|
|
log_k 61.0796
|
|
delta_h -0 kcal
|
|
Ca3Sb2
|
|
Ca3Sb2 + 6 H2O = 3 Ca+2 + 2 Sb(OH)3 + 6 H+ + 12 e-
|
|
log_k 142.974
|
|
delta_h -175.13 kcal
|
|
USb2
|
|
USb2 + 8 H2O = UO2+2 + 2 Sb(OH)3 + 12 e- + 10 H+
|
|
log_k 29.5246
|
|
delta_h -24.68 kcal
|
|
Cu2Sb
|
|
Cu2Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 H+ + Cu+ + Cu+2
|
|
log_k -34.8827
|
|
delta_h 55.745 kcal
|
|
MnSb
|
|
MnSb + 3 H2O = Mn+3 + Sb(OH)3 + 6 e- + 3 H+
|
|
log_k -2.9099
|
|
delta_h 5.045 kcal
|
|
Cu3Sb
|
|
Cu3Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 H+ + 3 Cu+
|
|
log_k -42.5937
|
|
delta_h 73.645 kcal
|
|
U3Sb4
|
|
U3Sb4 + 12 H2O = 3 U+4 + 4 Sb(OH)3 + 24 e- + 12 H+
|
|
log_k 152.329
|
|
delta_h -235.72 kcal
|
|
Sb2O4
|
|
Sb2O4 + 2 H2O + 2 H+ + 2 e- = 2 Sb(OH)3
|
|
log_k 3.4597
|
|
delta_h -16.27 kcal
|
|
Sb4O6II
|
|
Sb4O6 + 6 H2O = 4 Sb(OH)3
|
|
log_k -19.6586
|
|
delta_h 14.6 kcal
|
|
Sb4O6I
|
|
Sb4O6 + 6 H2O = 4 Sb(OH)3
|
|
log_k -17.0346
|
|
delta_h 8.99 kcal
|
|
Sb(OH)3(s)
|
|
Sb(OH)3 = Sb(OH)3
|
|
log_k -7.1099
|
|
delta_h 7.2 kcal
|
|
Cu(SbO3)2
|
|
Cu(SbO3)2 + 6 H+ + 4 e- = 2 Sb(OH)3 + Cu+2
|
|
log_k 45.2105
|
|
delta_h -0 kcal
|
|
Sb2O3
|
|
Sb2O3 + 3 H2O = 2 Sb(OH)3
|
|
log_k -12.3654
|
|
delta_h 7.325 kcal
|
|
Sb2O3
|
|
Sb2O3 + 3 H2O = 2 Sb(OH)3
|
|
log_k -8.4806
|
|
delta_h 4.545 kcal
|
|
Sb2O5
|
|
Sb2O5 + 7 H2O = 2 Sb(OH)6- + 2 H+
|
|
log_k -12.4827
|
|
delta_h -0 kcal
|
|
SbO2
|
|
SbO2 + 4 H2O = Sb(OH)6- + e- + 2 H+
|
|
log_k -27.8241
|
|
delta_h -0 kcal
|
|
SbBr3
|
|
SbBr3 + 3 H2O = Sb(OH)3 + 3 Br- + 3 H+
|
|
log_k 1.0562
|
|
delta_h -5.072 kcal
|
|
SbCl3
|
|
SbCl3 + 3 H2O = Sb(OH)3 + 3 Cl- + 3 H+
|
|
log_k 0.5915
|
|
delta_h -8.414 kcal
|
|
SbF3
|
|
SbF3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 F-
|
|
log_k -10.2251
|
|
delta_h -1.608 kcal
|
|
SbI3
|
|
SbI3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 I-
|
|
log_k -0.538
|
|
delta_h 3.248 kcal
|
|
Zn(BO2)2
|
|
Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3
|
|
log_k 8.29
|
|
delta_h -0 kcal
|
|
Cd(BO2)2
|
|
Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3
|
|
log_k 9.84
|
|
delta_h -0 kcal
|
|
Pb(BO2)2
|
|
Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3
|
|
log_k 7.61
|
|
delta_h -5.8 kcal
|
|
MnHPO4(C)
|
|
MnHPO4 = Mn+2 + PO4-3 + H+
|
|
log_k -25.4
|
|
delta_h -0 kcal
|
|
PbHPO4
|
|
PbHPO4 = Pb+2 + PO4-3 + H+
|
|
log_k -23.9
|
|
delta_h -0 kcal
|
|
Pb3(PO4)2
|
|
Pb3(PO4)2 = 3 Pb+2 + 2 PO4-3
|
|
log_k -44.5
|
|
delta_h -0 kcal
|
|
Sulfur
|
|
S + H+ + 2 e- = HS-
|
|
log_k -2.11
|
|
delta_h -4.2 kcal
|
|
AlAsO4:2H2O
|
|
AlAsO4:2H2O + 3 H+ = Al+3 + H3AsO4 + 2 H2O
|
|
log_k 4.8
|
|
delta_h -0 kcal
|
|
Ca3(AsO4)2:6H2O
|
|
Ca3(AsO4)2:6H2O + 6 H+ = 3 Ca+2 + 2 H3AsO4 + 6 H2O
|
|
log_k 22.3
|
|
delta_h -0 kcal
|
|
Cu3(AsO4)2:6H2O
|
|
Cu3(AsO4)2:6H2O + 6 H+ = 3 Cu+2 + 2 H3AsO4 + 6 H2O
|
|
log_k 6.1
|
|
delta_h -0 kcal
|
|
FeAsO4:2H2O
|
|
FeAsO4:2H2O + 3 H+ = Fe+3 + H3AsO4 + 2 H2O
|
|
log_k 0.4
|
|
delta_h -0 kcal
|
|
Mn3(AsO4)2:8H2O
|
|
Mn3(AsO4)2:8H2O + 6 H+ = 3 Mn+2 + 2 H3AsO4 + 8 H2O
|
|
log_k 12.5
|
|
delta_h -0 kcal
|
|
Ni3(AsO4)2:8H2O
|
|
Ni3(AsO4)2:8H2O + 6 H+ = 3 Ni+2 + 2 H3AsO4 + 8 H2O
|
|
log_k 15.7
|
|
delta_h -0 kcal
|
|
Pb3(AsO4)2
|
|
Pb3(AsO4)2 + 6 H+ = 3 Pb+2 + 2 H3AsO4
|
|
log_k 5.8
|
|
delta_h -0 kcal
|
|
Zn3(AsO4)2:2.5H2O
|
|
Zn3(AsO4)2:2.5H2O + 6 H+ = 3 Zn+2 + 2 H3AsO4 + 2.5 H2O
|
|
log_k 13.65
|
|
delta_h -0 kcal
|
|
Ba3(AsO4)2
|
|
Ba3(AsO4)2 + 6 H+ = 3 Ba+2 + 2 H3AsO4
|
|
log_k -8.91
|
|
delta_h 2.64 kcal
|
|
VMetal
|
|
V = V+3 + 3 e-
|
|
log_k 42.35
|
|
delta_h -62.9 kcal
|
|
VO
|
|
VO + 2 H+ = V+3 + H2O + e-
|
|
log_k 13.08
|
|
delta_h -28.02 kcal
|
|
VCl2
|
|
VCl2 = V+3 + 2 Cl- + e-
|
|
log_k 17.97
|
|
delta_h -35.8 kcal
|
|
V2O3
|
|
VO1.5 + 3 H+ = V+3 + 1.5 H2O
|
|
log_k 4.9
|
|
delta_h -19.72 kcal
|
|
V(OH)3
|
|
V(OH)3 + 3 H+ = V+3 + 3 H2O
|
|
log_k 7.65
|
|
delta_h -0 kcal
|
|
VCl3
|
|
VCl3 = V+3 + 3 Cl-
|
|
log_k 21.73
|
|
delta_h -43.96 kcal
|
|
VOCl
|
|
VOCl + 2 H+ = V+3 + Cl- + H2O
|
|
log_k 9.41
|
|
delta_h -26.17 kcal
|
|
V2O4
|
|
VO2 + 2 H+ = VO+2 + H2O
|
|
log_k 4.27
|
|
delta_h -14.07 kcal
|
|
VO(OH)2
|
|
VO(OH)2 + 2 H+ = VO+2 + 2 H2O
|
|
log_k 5.85
|
|
delta_h -0 kcal
|
|
VF4
|
|
VF4 + H2O = VO+2 + 4 F- + 2 H+
|
|
log_k 14.93
|
|
delta_h -47.59 kcal
|
|
VOSO4(C)
|
|
VOSO4 = VO+2 + SO4-2
|
|
log_k 3.57
|
|
delta_h -20.72 kcal
|
|
# equation does not balance
|
|
#(VO)3(PO4)2
|
|
# (VO)3(PO4)2 = VO+2 + 0.667PO4-3
|
|
# log_k -8.37
|
|
# delta_h -0 kcal
|
|
VOCl2
|
|
VOCl2 = VO+2 + 2 Cl-
|
|
log_k 12.79
|
|
delta_h -28.2 kcal
|
|
V2O5
|
|
VO2.5 + H+ = VO2+ + 0.5 H2O
|
|
log_k -0.72
|
|
delta_h -4.16 kcal
|
|
Tyuyamunite
|
|
Ca0.5UO2VO4 + 4 H+ = 0.5 Ca+2 + UO2+2 + VO2+ + 2 H2O
|
|
log_k 2.04
|
|
delta_h -18.3 kcal
|
|
Ca_Vanadate
|
|
Ca0.5VO3 + 2 H+ = 0.5 Ca+2 + VO2+ + H2O
|
|
log_k 2.83
|
|
delta_h -10.13 kcal
|
|
Ca3(VO4)2
|
|
Ca1.5VO4 + 4 H+ = 1.5 Ca+2 + VO2+ + 2 H2O
|
|
log_k 19.48
|
|
delta_h -35.07 kcal
|
|
Ca2V2O7
|
|
CaVO3.5 + 3 H+ = Ca+2 + VO2+ + 1.5 H2O
|
|
log_k 8.75
|
|
delta_h -19.06 kcal
|
|
Fe_Vanadate
|
|
Fe0.5VO3 + 2 H+ = 0.5 Fe+2 + VO2+ + H2O
|
|
log_k -1.86
|
|
delta_h -7.37 kcal
|
|
Mg_Vanadate
|
|
Mg0.5VO3 + 2 H+ = 0.5 Mg+2 + VO2+ + H2O
|
|
log_k 5.64
|
|
delta_h -16.33 kcal
|
|
Mg2V2O7
|
|
MgVO3.5 + 3 H+ = Mg+2 + VO2+ + 1.5 H2O
|
|
log_k 13.18
|
|
delta_h -30.5 kcal
|
|
Mn_Vanadate
|
|
Mn0.5VO3 + 2 H+ = 0.5 Mn+2 + VO2+ + H2O
|
|
log_k 2.45
|
|
delta_h -11.05 kcal
|
|
NH4VO3
|
|
NH4VO3 + 2 H+ = NH4+ + VO2+ + H2O
|
|
log_k 2.69
|
|
delta_h -3.77 kcal
|
|
Na_Vanadate
|
|
NaVO3 + 2 H+ = Na+ + VO2+ + H2O
|
|
log_k 3.71
|
|
delta_h -7.01 kcal
|
|
Na3VO4
|
|
Na3VO4 + 4 H+ = 3 Na+ + VO2+ + 2 H2O
|
|
log_k 36.94
|
|
delta_h -44.42 kcal
|
|
Na4V2O7
|
|
Na2VO3.5 + 3 H+ = 2 Na+ + VO2+ + 1.5 H2O
|
|
log_k 18.7
|
|
delta_h -24.03 kcal
|
|
Pb3(VO4)2
|
|
Pb1.5VO4 + 4 H+ = 1.5 Pb+2 + VO2+ + 2 H2O
|
|
log_k 3.07
|
|
delta_h -8.68 kcal
|
|
Pb2V2O7
|
|
PbVO3.5 + 3 H+ = Pb+2 + VO2+ + 1.5 H2O
|
|
log_k -0.95
|
|
delta_h -3.22 kcal
|
|
Carnotite
|
|
KUO2VO4 + 4 H+ = K+ + UO2+2 + VO2+ + 2 H2O
|
|
log_k 0.23
|
|
delta_h -8.7 kcal
|
|
Ag_Vanadate
|
|
AgVO3 + 2 H+ = Ag+ + VO2+ + H2O
|
|
log_k 0.77
|
|
delta_h -0 kcal
|
|
Ag2HVO4
|
|
Ag2HVO4 + 3 H+ = 2 Ag+ + VO2+ + 2 H2O
|
|
log_k 1.48
|
|
delta_h -0 kcal
|
|
Ag3H2VO5
|
|
Ag3H2VO5 + 4 H+ = 3 Ag+ + VO2+ + 3 H2O
|
|
log_k 5.18
|
|
delta_h -0 kcal
|
|
VO2Cl
|
|
VO2Cl = VO2+ + Cl-
|
|
log_k 2.81
|
|
delta_h -9.65 kcal
|
|
V3O5
|
|
V3O5 + 4 H+ = 3 VO+2 + 2 H2O + 2 e-
|
|
log_k 1.87
|
|
delta_h -23.53 kcal
|
|
V4O7
|
|
V4O7 + 6 H+ = 4 VO+2 + 3 H2O + 2 e-
|
|
log_k 7.14
|
|
delta_h -39.15 kcal
|
|
V6O13
|
|
V6O13 + 2 H+ = 6 VO2+ + H2O + 4 e-
|
|
log_k -60.86
|
|
delta_h 64.89 kcal
|
|
Lime
|
|
CaO + 2 H+ = Ca+2 + H2O
|
|
log_k 32.797
|
|
delta_h -46.265 kcal
|
|
Portlandite
|
|
Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O
|
|
log_k 22.675
|
|
delta_h -30.69 kcal
|
|
|
|
# not balanced
|
|
#Wustite
|
|
# WUSTITE + 2H+ = 0.947Fe+2 + H2O
|
|
# log_k 11.687
|
|
# delta_h -24.846 kcal
|
|
Periclase
|
|
MgO + 2 H+ = Mg+2 + H2O
|
|
log_k 21.51
|
|
delta_h -36.135 kcal
|
|
Hercynite
|
|
FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O
|
|
log_k 27.162
|
|
delta_h -78.36 kcal
|
|
Spinel
|
|
MgAl2O4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O
|
|
log_k 36.333
|
|
delta_h -89.089 kcal
|
|
Mg-Ferrite
|
|
MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O
|
|
log_k 16.765
|
|
delta_h -66.639 kcal
|
|
Cryolite
|
|
Na3AlF6 = Al+3 + 3 Na+ + 6 F-
|
|
log_k -31.49
|
|
delta_h 10.904 kcal
|
|
Wollastonite
|
|
CaSiO3 + H2O + 2 H+ = H4SiO4 + Ca+2
|
|
log_k 12.996
|
|
delta_h -19.498 kcal
|
|
P-Wollstanite
|
|
CaSiO3 + H2O + 2 H+ = H4SiO4 + Ca+2
|
|
log_k 13.846
|
|
delta_h -21.068 kcal
|
|
Ca-Olivine
|
|
Ca2SiO4 + 4 H+ = H4SiO4 + 2 Ca+2
|
|
log_k 37.649
|
|
delta_h -54.695 kcal
|
|
Larnite
|
|
Ca2SiO4 + 4 H+ = H4SiO4 + 2 Ca+2
|
|
log_k 39.141
|
|
delta_h -57.238 kcal
|
|
Ca3SiO5
|
|
Ca3SiO5 + 6 H+ = H4SiO4 + 3 Ca+2 + H2O
|
|
log_k 73.867
|
|
delta_h -106.335 kcal
|
|
Monticellite
|
|
CaMgSiO4 + 4 H+ = H4SiO4 + Ca+2 + Mg+2
|
|
log_k 30.272
|
|
delta_h -49.421 kcal
|
|
Akerminite
|
|
Ca2MgSi2O7 + H2O + 6 H+ = 2 H4SiO4 + 2 Ca+2 + Mg+2
|
|
log_k 47.472
|
|
delta_h -76.445 kcal
|
|
Merwinite
|
|
Ca3MgSi2O8 + 8 H+ = 2 H4SiO4 + Mg+2 + 3 Ca+2
|
|
log_k 68.543
|
|
delta_h -107.111 kcal
|
|
Kalsilite
|
|
KAlSiO4 + 4 H+ = H4SiO4 + Al+3 + K+
|
|
log_k 12.838
|
|
delta_h -28.919 kcal
|
|
Leucite
|
|
KAlSi2O6 + 2 H2O + 4 H+ = 2 H4SiO4 + Al+3 + K+
|
|
log_k 6.423
|
|
delta_h -22.085 kcal
|
|
Microcline
|
|
KAlSi3O8 + 4 H2O + 4 H+ = 3 H4SiO4 + Al+3 + K+
|
|
log_k 0.616
|
|
delta_h -12.309 kcal
|
|
Sanidine(H)
|
|
KAlSi3O8 + 4 H2O + 4 H+ = 3 H4SiO4 + Al+3 + K+
|
|
log_k 1.062
|
|
delta_h -14.252 kcal
|
|
Nepheline
|
|
NaAlSiO4 + 4 H+ = H4SiO4 + Al+3 + Na+
|
|
log_k 14.218
|
|
delta_h -33.204 kcal
|
|
Gehlenite
|
|
Ca2Al2SiO7 + 10 H+ = 2 Al+3 + H4SiO4 + 2 Ca+2 + 3 H2O
|
|
log_k 56.822
|
|
delta_h -116.125 kcal
|
|
Lepidocrocite
|
|
FeOOH + 3 H+ = Fe+3 + 2 H2O
|
|
log_k 1.371
|
|
delta_h -0 kcal
|
|
Na-Nontronite
|
|
Fe2Al.33Si3.67O10(OH)2Na0.33 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.33 Na+ + 3.67 H4SiO4
|
|
log_k -14.504
|
|
delta_h -0 kcal
|
|
K-Nontronite
|
|
Fe2Al.33Si3.67O10(OH)2K0.33 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.33 K+ + 3.67 H4SiO4
|
|
log_k -15.549
|
|
delta_h -0 kcal
|
|
Ca-Nontronite
|
|
Fe2Al.33Si3.67O10(OH)2Ca0.165 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.165 Ca+2 + 3.67 H4SiO4
|
|
log_k -20.889
|
|
delta_h -0 kcal
|
|
Mg-Nontronite
|
|
Fe2Al.33Si3.67O10(OH)2Mg0.165 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.165 Mg+2 + 3.67 H4SiO4
|
|
log_k -20.589
|
|
delta_h -0 kcal
|
|
Montmorillonite
|
|
Mg0.485Fe.22Al1.71Si3.81O10(OH)2 + 6.76 H+ + 3.24 H2O = 3.81 H4SiO4 + 0.485 Mg+2 + 0.22 Fe+3 + 1.71 Al+3
|
|
log_k 2.67
|
|
delta_h -0 kcal
|
|
TlMetal
|
|
Tl = Tl+ + e-
|
|
log_k 5.6733
|
|
delta_h 1.28 kcal
|
|
Tl2O
|
|
Tl2O + 2 H+ = 2 Tl+ + H2O
|
|
log_k 27.0984
|
|
delta_h -23.055 kcal
|
|
TlOH
|
|
TlOH + H+ = Tl+ + H2O
|
|
log_k 12.9225
|
|
delta_h -9.935 kcal
|
|
TlCl
|
|
TlCl = Tl+ + Cl-
|
|
log_k -3.7243
|
|
delta_h 10.137 kcal
|
|
TlBr
|
|
TlBr = Tl+ + Br-
|
|
log_k -5.419
|
|
delta_h 13.641 kcal
|
|
TlI
|
|
TlI = Tl+ + I-
|
|
log_k -7.1964
|
|
delta_h 17.281 kcal
|
|
Tl2S
|
|
Tl2S + H+ = 2 Tl+ + HS-
|
|
log_k -7.1832
|
|
delta_h 21.56 kcal
|
|
Tl2SO4
|
|
Tl2SO4 = 2 Tl+ + SO4-2
|
|
log_k -3.6942
|
|
delta_h 7.94 kcal
|
|
Tl2Se
|
|
Tl2Se + H+ = 2 Tl+ + HSe-
|
|
log_k -6.6848
|
|
delta_h 20.36 kcal
|
|
Tl2SeO4
|
|
Tl2SeO4 = 2 Tl+ + SeO4-2
|
|
log_k -4.0168
|
|
delta_h 9.76 kcal
|
|
TlNO3
|
|
TlNO3 = Tl+ + NO3-
|
|
log_k -1.5319
|
|
delta_h 10.02 kcal
|
|
Tl2CO3
|
|
Tl2CO3 = 2 Tl+ + CO3-2
|
|
log_k -3.8482
|
|
delta_h 8.02 kcal
|
|
Tl(OH)3
|
|
Tl(OH)3 = Tl(OH)3
|
|
log_k -6.4503
|
|
delta_h -0 kcal
|
|
Avicennite
|
|
Tl2O3 + 3 H2O = 2 Tl(OH)3
|
|
log_k -16.3236
|
|
delta_h -0 kcal
|
|
Se(hex)
|
|
Se + H+ + 2 e- = HSe-
|
|
log_k -7.6963
|
|
delta_h 3.8 kcal
|
|
Se(A)
|
|
Se + H+ + 2 e- = HSe-
|
|
log_k -7.1099
|
|
delta_h 2.6 kcal
|
|
Ferroselite
|
|
FeSe2 + 2 H+ + 2 e- = 2 HSe- + Fe+2
|
|
log_k -18.5959
|
|
delta_h 11.3 kcal
|
|
Clausthalite
|
|
PbSe + H+ = HSe- + Pb+2
|
|
log_k -21.2162
|
|
delta_h 28 kcal
|
|
Ag2Se
|
|
Ag2Se + H+ = HSe- + 2 Ag+
|
|
log_k -43.6448
|
|
delta_h 64.95 kcal
|
|
CdSe
|
|
CdSe + H+ = HSe- + Cd+2
|
|
log_k -18.0739
|
|
delta_h 18.16 kcal
|
|
CuSe
|
|
CuSe + H+ = HSe- + Cu+2
|
|
log_k -26.5121
|
|
delta_h 28.95 kcal
|
|
Cu2Se(alpha)
|
|
Cu2Se + H+ = HSe- + 2 Cu+
|
|
log_k -36.0922
|
|
delta_h 51.21 kcal
|
|
CuSe2
|
|
CuSe2 + 2 H+ + 2 e- = 2 HSe- + Cu+2
|
|
log_k -33.3655
|
|
delta_h 33.6 kcal
|
|
Cu3Se2
|
|
Cu3Se2 + 2 H+ = 2 HSe- + 2 Cu+ + Cu+2
|
|
log_k -63.4911
|
|
delta_h 81.34 kcal
|
|
FeSe
|
|
FeSe + H+ = HSe- + Fe+2
|
|
log_k -7.1466
|
|
delta_h 0.5 kcal
|
|
MnSe
|
|
MnSe + H+ = HSe- + Mn+2
|
|
log_k 5.3508
|
|
delta_h -13.46 kcal
|
|
ZnSe
|
|
ZnSe + H+ = HSe- + Zn+2
|
|
log_k -11.3642
|
|
delta_h 6.439 kcal
|
|
|
|
# cobalt not defined
|
|
#CoSe
|
|
# CoSe + H+ = HSe- + Co+2
|
|
# log_k -16.2723
|
|
# delta_h -0 kcal
|
|
|
|
NiSe
|
|
NiSe + H+ = HSe- + Ni+2
|
|
log_k -17.7382
|
|
delta_h -0 kcal
|
|
SeO2
|
|
SeO2 + H2O = HSeO3- + H+
|
|
log_k 0.1246
|
|
delta_h 0.335 kcal
|
|
BaSeO3
|
|
BaSeO3 + H+ = HSeO3- + Ba+2
|
|
log_k 4.1634
|
|
delta_h -6.28 kcal
|
|
CaSeO3:2H2O
|
|
CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2 H2O
|
|
log_k 2.8139
|
|
delta_h -4.65 kcal
|
|
CuSeO3:2H2O
|
|
CuSeO3:2H2O + H+ = HSeO3- + Cu+2 + 2 H2O
|
|
log_k 0.4838
|
|
delta_h -8.81 kcal
|
|
Fe2(SeO3)3:2H2O
|
|
Fe2(SeO3)3:2H2O + 3 H+ = 3 HSeO3- + 2 Fe+3 + 2 H2O
|
|
log_k -20.6262
|
|
delta_h -0 kcal
|
|
Fe2(OH)4SeO3
|
|
Fe2(OH)4SeO3 + 5 H+ = HSeO3- + 2 Fe+3 + 4 H2O
|
|
log_k 1.5539
|
|
delta_h -0 kcal
|
|
MgSeO3:6H2O
|
|
MgSeO3:6H2O + H+ = HSeO3- + Mg+2 + 6 H2O
|
|
log_k 4.0314
|
|
delta_h 1.25 kcal
|
|
MnSeO3:2H2O
|
|
MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2 H2O
|
|
log_k 0.9822
|
|
delta_h 2.03 kcal
|
|
NiSeO3:2H2O
|
|
NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2 H2O
|
|
log_k 2.8147
|
|
delta_h -7.41 kcal
|
|
SrSeO3
|
|
SrSeO3 + H+ = HSeO3- + Sr+2
|
|
log_k 0.1034
|
|
delta_h -0 kcal
|
|
MnSeO3
|
|
MnSeO3 + H+ = HSeO3- + Mn+2
|
|
log_k 1.21
|
|
delta_h -0 kcal
|
|
|
|
# cobalt not defined
|
|
#CoSeO3
|
|
# CoSeO3 + H+ = HSeO3- + Co+2
|
|
# log_k 0.1906
|
|
# delta_h -0 kcal
|
|
Ag2SeO3
|
|
Ag2SeO3 + H+ = HSeO3- + 2 Ag+
|
|
log_k -7.07
|
|
delta_h 9.47 kcal
|
|
SeO3
|
|
SeO3 + H2O = SeO4-2 + 2 H+
|
|
log_k 21.044
|
|
delta_h -34.985 kcal
|
|
Ag2SeO4
|
|
Ag2SeO4 = SeO4-2 + 2 Ag+
|
|
log_k -8.9014
|
|
delta_h 10.45 kcal
|
|
BaSeO4
|
|
BaSeO4 = SeO4-2 + Ba+2
|
|
log_k -5.1895
|
|
delta_h 2 kcal
|
|
CaSeO4:2H2O
|
|
CaSeO4:2H2O = SeO4-2 + Ca+2 + 2 H2O
|
|
log_k -2.9473
|
|
delta_h 0.88 kcal
|
|
PbSeO4
|
|
PbSeO4 = SeO4-2 + Pb+2
|
|
log_k -6.8387
|
|
delta_h 3.8 kcal
|
|
SrSeO4
|
|
SrSeO4 = SeO4-2 + Sr+2
|
|
log_k -6.8747
|
|
delta_h 2.69 kcal
|
|
HgMetal
|
|
Hg = 0.5 Hg2+2 + e-
|
|
log_k -13.4552
|
|
delta_h 19.935 kcal
|
|
Hg2Br2
|
|
Hg2Br2 = Hg2+2 + 2 Br-
|
|
log_k -22.2091
|
|
delta_h 31.252 kcal
|
|
Hg2CO3
|
|
Hg2CO3 = Hg2+2 + CO3-2
|
|
log_k -13.9586
|
|
delta_h -0 kcal
|
|
Calomel
|
|
Hg2Cl2 = Hg2+2 + 2 Cl-
|
|
log_k -17.8427
|
|
delta_h 23.444 kcal
|
|
Hg2F2
|
|
Hg2F2 = Hg2+2 + 2 F-
|
|
log_k -3.0811
|
|
delta_h -4.432 kcal
|
|
Hg2I2
|
|
Hg2I2 = Hg2+2 + 2 I-
|
|
log_k -28.2782
|
|
delta_h -0 kcal
|
|
Hg2(OH)2
|
|
Hg2(OH)2 + 2 H+ = Hg2+2 + 2 H2O
|
|
log_k 5.2603
|
|
delta_h -0 kcal
|
|
Hg2HPO4
|
|
Hg2HPO4 = Hg2+2 + H+ + PO4-3
|
|
log_k -25.9795
|
|
delta_h -0 kcal
|
|
Hg2S
|
|
Hg2S + H+ = Hg2+2 + HS-
|
|
log_k -11.6765
|
|
delta_h 16.67 kcal
|
|
Hg2SO4
|
|
Hg2SO4 = Hg2+2 + SO4-2
|
|
log_k -6.1593
|
|
delta_h 0.23 kcal
|
|
Hg2SeO3
|
|
Hg2SeO3 + H+ = Hg2+2 + HSeO3-
|
|
log_k -4.657
|
|
delta_h -0 kcal
|
|
HgBr2
|
|
HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+
|
|
log_k -25.373
|
|
delta_h 34.452 kcal
|
|
HgCO3
|
|
HgCO3 + 2 H2O = Hg(OH)2 + CO3-2 + 2 H+
|
|
log_k -28.6817
|
|
delta_h 22.13 kcal
|
|
HgCl2
|
|
HgCl2 + 2 H2O = Hg(OH)2 + 2 Cl- + 2 H+
|
|
log_k -21.7858
|
|
delta_h 27.264 kcal
|
|
Coccinite
|
|
HgI2 + 2 H2O = Hg(OH)2 + 2 I- + 2 H+
|
|
log_k -34.6599
|
|
delta_h 49.732 kcal
|
|
Montroydite
|
|
HgO + H2O = Hg(OH)2
|
|
log_k -3.6503
|
|
delta_h 5.115 kcal
|
|
Hg(OH)2
|
|
Hg(OH)2 = Hg(OH)2
|
|
log_k -3.4963
|
|
delta_h -0 kcal
|
|
Cinnabar
|
|
HgS + 2 H2O = Hg(OH)2 + HS- + H+
|
|
log_k -45.1885
|
|
delta_h 60.43 kcal
|
|
Metacinnabar
|
|
HgS + 2 H2O = Hg(OH)2 + HS- + H+
|
|
log_k -44.822
|
|
delta_h 59.53 kcal
|
|
HgSO4
|
|
HgSO4 + 2 H2O = Hg(OH)2 + SO4-2 + 2 H+
|
|
log_k -9.4189
|
|
delta_h 3.51 kcal
|
|
HgSeO3
|
|
HgSeO3 + 2 H2O = Hg(OH)2 + HSeO3- + H+
|
|
log_k -12.6953
|
|
delta_h -0 kcal
|
|
HgI2:2NH3
|
|
HgI2:2NH3 + 2 H2O = Hg(OH)2 + 2 I- + 2 NH4+
|
|
log_k -16.1066
|
|
delta_h 32.632 kcal
|
|
HgI2:6NH3
|
|
HgI2:6NH3 + 2 H2O + 4 H+ = Hg(OH)2 + 2 I- + 6 NH4+
|
|
log_k 33.8566
|
|
delta_h -20.568 kcal
|
|
Cr(OH)2
|
|
Cr(OH)2 + 2 H+ = Cr+2 + 2 H2O
|
|
log_k 10.8189
|
|
delta_h -8.51 kcal
|
|
CrBr3
|
|
CrBr3 + 2 H2O = Cr(OH)2+ + 3 Br- + 2 H+
|
|
log_k 19.9086
|
|
delta_h -33.777 kcal
|
|
CrCl3
|
|
CrCl3 + 2 H2O = Cr(OH)2+ + 3 Cl- + 2 H+
|
|
log_k 13.5067
|
|
delta_h -27.509 kcal
|
|
CrF3
|
|
CrF3 + 2 H2O = Cr(OH)2+ + 3 F- + 2 H+
|
|
log_k -13.2597
|
|
delta_h -4.363 kcal
|
|
CrI3
|
|
CrI3 + 2 H2O = Cr(OH)2+ + 3 I- + 2 H+
|
|
log_k 20.4767
|
|
delta_h -32.127 kcal
|
|
FeCr2O4
|
|
FeCr2O4 + 4 H+ = 2 Cr(OH)2+ + Fe+2
|
|
log_k -0.9016
|
|
delta_h -24.86 kcal
|
|
MgCr2O4
|
|
MgCr2O4 + 4 H+ = 2 Cr(OH)2+ + Mg+2
|
|
log_k 12.0796
|
|
delta_h -39.86 kcal
|
|
CrMetal
|
|
Cr = Cr+2 + 2 e-
|
|
log_k 32.244
|
|
delta_h -34.3 kcal
|
|
Cr2O3
|
|
Cr2O3 + 2 H+ + H2O = 2 Cr(OH)2+
|
|
log_k -3.3937
|
|
delta_h -12.125 kcal
|
|
Cr(OH)3(A)
|
|
Cr(OH)3 + H+ = Cr(OH)2+ + H2O
|
|
log_k -0.75
|
|
delta_h -0 kcal
|
|
Cr(OH)3(C)
|
|
Cr(OH)3 + H+ = Cr(OH)2+ + H2O
|
|
log_k 1.7005
|
|
delta_h -7.115 kcal
|
|
CrCl2
|
|
CrCl2 = Cr+2 + 2 Cl-
|
|
log_k 15.8676
|
|
delta_h -19.666 kcal
|
|
Ag2CrO4
|
|
Ag2CrO4 = CrO4-2 + 2 Ag+
|
|
log_k -11.5548
|
|
delta_h 14.04 kcal
|
|
BaCrO4
|
|
BaCrO4 = CrO4-2 + Ba+2
|
|
log_k -9.6681
|
|
delta_h 6.39 kcal
|
|
|
|
# Cesium not defined
|
|
#Cs2CrO4
|
|
# Cs2CrO4 = CrO4-2 + 2Cs+
|
|
# log_k -0.5541
|
|
# delta_h 7.504 kcal
|
|
#Cs2Cr2O7
|
|
# Cs2Cr2O7 + H2O = 2CrO4-2 + 2Cs+ + 2H+
|
|
# log_k -17.7793
|
|
# delta_h 22.899 kcal
|
|
|
|
CuCrO4
|
|
CuCrO4 = CrO4-2 + Cu+2
|
|
log_k -5.4754
|
|
delta_h -0 kcal
|
|
K2CrO4
|
|
K2CrO4 = CrO4-2 + 2 K+
|
|
log_k 0.0073
|
|
delta_h 4.25 kcal
|
|
K2Cr2O7
|
|
K2Cr2O7 + H2O = 2 CrO4-2 + 2 K+ + 2 H+
|
|
log_k -15.6712
|
|
delta_h 18.125 kcal
|
|
Li2CrO4
|
|
Li2CrO4 = CrO4-2 + 2 Li+
|
|
log_k 4.8568
|
|
delta_h -10.822 kcal
|
|
MgCrO4
|
|
MgCrO4 = CrO4-2 + Mg+2
|
|
log_k 5.3801
|
|
delta_h -21.26 kcal
|
|
(NH4)2CrO4
|
|
(NH4)2CrO4 = CrO4-2 + 2 NH4+
|
|
log_k 0.4046
|
|
delta_h 2.19 kcal
|
|
Na2CrO4
|
|
Na2CrO4 = CrO4-2 + 2 Na+
|
|
log_k 3.2618
|
|
delta_h -4.61 kcal
|
|
Na2Cr2O7
|
|
Na2Cr2O7 + H2O = 2 CrO4-2 + 2 Na+ + 2 H+
|
|
log_k -9.8953
|
|
delta_h 5.305 kcal
|
|
PbCrO4
|
|
PbCrO4 = CrO4-2 + Pb+2
|
|
log_k -13.6848
|
|
delta_h 10.23 kcal
|
|
Rb2CrO4
|
|
Rb2CrO4 = CrO4-2 + 2 Rb+
|
|
log_k -0.0968
|
|
delta_h 5.892 kcal
|
|
SrCrO4
|
|
SrCrO4 = CrO4-2 + Sr+2
|
|
log_k -4.8443
|
|
delta_h -2.42 kcal
|
|
CrO3
|
|
CrO3 + H2O = CrO4-2 + 2 H+
|
|
log_k -3.2105
|
|
delta_h -1.245 kcal
|
|
CaCrO4
|
|
CaCrO4 = Ca+2 + CrO4-2
|
|
log_k -2.2657
|
|
delta_h -6.44 kcal
|
|
Hg2CrO4
|
|
Hg2CrO4 = Hg2+2 + CrO4-2
|
|
log_k -8.7031
|
|
delta_h -0 kcal
|
|
Tl2CrO4
|
|
Tl2CrO4 = 2 Tl+ + CrO4-2
|
|
log_k -12.0136
|
|
delta_h 25.31 kcal
|
|
Ag4FeCyanide6:H2O
|
|
Ag4FeCyanide6:H2O = 6 Cyanide- + 4 Ag+ + Fe+2 + H2O
|
|
log_k -89.6909
|
|
delta_h -0 kcal
|
|
AgCyanide
|
|
AgCyanide = Cyanide- + Ag+
|
|
log_k -16.218
|
|
delta_h 26.385 kcal
|
|
Cd2FeCyanide6:7H2O
|
|
Cd2FeCyanide6:7H2O = 6 Cyanide- + 2 Cd+2 + Fe+2 + 7 H2O
|
|
log_k -62.9824
|
|
delta_h -0 kcal
|
|
CrCyanide
|
|
CrCyanide = Cyanide- + Cr+2 + e-
|
|
log_k 23.888
|
|
delta_h -0 kcal
|
|
Cr2Cyanide
|
|
Cr2Cyanide = Cyanide- + 2 Cr+2 + 3 e-
|
|
log_k 56.645
|
|
delta_h -0 kcal
|
|
CuCyanide
|
|
CuCyanide = Cyanide- + Cu+
|
|
log_k -19.4974
|
|
delta_h 30.2 kcal
|
|
Cu2FeCyanide6
|
|
Cu2FeCyanide6 = 6 Cyanide- + 2 Cu+2 + Fe+2
|
|
log_k -61.4168
|
|
delta_h -0 kcal
|
|
CyanideI
|
|
CyanideI + 2 e- = Cyanide- + I-
|
|
log_k 11.3114
|
|
delta_h -17.309 kcal
|
|
K12Ni8(FeCyanide6)7
|
|
K12Ni8(FeCyanide6)7 = 42 Cyanide- + 12 K+ + 8 Ni+2 + 7 Fe+2
|
|
log_k -431.09
|
|
delta_h -0 kcal
|
|
KCyanide(I)
|
|
KCyanide = Cyanide- + K+
|
|
log_k 1.4403
|
|
delta_h 2.74 kcal
|
|
K2CdFeCyanide6
|
|
K2CdFeCyanide6 = 6 Cyanide- + 2 K+ + Cd+2 + Fe+2
|
|
log_k -63.0279
|
|
delta_h -0 kcal
|
|
K4Ni4(FeCyanide6)3
|
|
K4Ni4(FeCyanide6)3 = 18 Cyanide- + 4 K+ + 4 Ni+2 + 3 Fe+2
|
|
log_k -183.547
|
|
delta_h -0 kcal
|
|
K4FeCyanide6
|
|
K4FeCyanide6 = 6 Cyanide- + 4 K+ + Fe+2
|
|
log_k -48.8241
|
|
delta_h 95.62 kcal
|
|
K2Mn3(FeCyanide6)2
|
|
K2Mn3(FeCyanide6)2 = 12 Cyanide- + 2 K+ + 3 Mn+2 + 2 Fe+2
|
|
log_k -121.001
|
|
delta_h -0 kcal
|
|
K2Ni3(FeCyanide6)2
|
|
K2Ni3(FeCyanide6)2 = 12 Cyanide- + 2 K+ + 3 Ni+2 + 2 Fe+2
|
|
log_k -123.127
|
|
delta_h -0 kcal
|
|
K4FeCyanide6:3H2O
|
|
K4FeCyanide6:3H2O = 6 Cyanide- + 4 K+ + Fe+2 + 3 H2O
|
|
log_k -49.5424
|
|
delta_h 99.175 kcal
|
|
K12Cd8(FeCyanide6)7
|
|
K12Cd8(FeCyanide6)7 = 42 Cyanide- + 12 K+ + 8 Cd+2 + 7 Fe+2
|
|
log_k -441.985
|
|
delta_h -0 kcal
|
|
KZn1.5FeCyanide6
|
|
KZn1.5FeCyanide6 = 6 Cyanide- + K+ + 1.5 Zn+2 + Fe+2
|
|
log_k -66.8086
|
|
delta_h -0 kcal
|
|
K3FeCyanide6
|
|
K3FeCyanide6 = 6 Cyanide- + 3 K+ + Fe+3
|
|
log_k -54.644
|
|
delta_h 83.29 kcal
|
|
K8Mn6(FeCyanide6)5
|
|
K8Mn6(FeCyanide6)5 = 30 Cyanide- + 8 K+ + 6 Mn+2 + 5 Fe+2
|
|
log_k -293.685
|
|
delta_h -0 kcal
|
|
K2Cu2FeCyanide6
|
|
K2Cu2FeCyanide6 = 6 Cyanide- + 2 K+ + 2 Cu+ + Fe+2
|
|
log_k -72.5142
|
|
delta_h -0 kcal
|
|
Mn2FeCyanide6
|
|
Mn2FeCyanide6 = 6 Cyanide- + 2 Mn+2 + Fe+2
|
|
log_k -59.0272
|
|
delta_h -0 kcal
|
|
NaCyanide
|
|
NaCyanide = Cyanide- + Na+
|
|
log_k 2.2869
|
|
delta_h -0.52 kcal
|
|
Pb2FeCyanide6:3H2O
|
|
Pb2FeCyanide6:3H2O = 6 Cyanide- + 2 Pb+2 + Fe+2 + 3 H2O
|
|
log_k -63.6011
|
|
delta_h -0 kcal
|
|
Tl4FeCyanide6:2H2O
|
|
Tl4FeCyanide6:2H2O = 6 Cyanide- + 4 Tl+ + Fe+2 + 2 H2O
|
|
log_k -56.9162
|
|
delta_h -0 kcal
|
|
Zn2FeCyanide6:2H2O
|
|
Zn2FeCyanide6:2H2O = 6 Cyanide- + 2 Zn+2 + Fe+2 + 2 H2O
|
|
log_k -61.2321
|
|
delta_h -0 kcal
|
|
AgCyanate
|
|
AgCyanate = Cyanate- + Ag+
|
|
log_k -6.6159
|
|
delta_h 13.175 kcal
|
|
Ag4Fe(Cyanide)6
|
|
Ag4Fe(Cyanide)6 = 6 Cyanide- + 4 Ag+ + Fe+2
|
|
log_k -193.914
|
|
delta_h 260.91 kcal
|
|
Cd2Fe(Cyanide)6
|
|
Cd2Fe(Cyanide)6 = 6 Cyanide- + 2 Cd+2 + Fe+2
|
|
log_k -28.2243
|
|
delta_h -0 kcal
|
|
Hg(Cyanide)2
|
|
Hg(Cyanide)2 + 2 H2O = Hg(OH)2 + 2 Cyanide- + 2 H+
|
|
log_k -45.3791
|
|
delta_h 60.73 kcal
|
|
Pb2Fe(Cyanide)6
|
|
Pb2Fe(Cyanide)6 = 6 Cyanide- + 2 Pb+2 + Fe+2
|
|
log_k -27.5895
|
|
delta_h -0 kcal
|
|
Zn2Fe(Cyanide)6
|
|
Zn2Fe(Cyanide)6 = 6 Cyanide- + 2 Zn+2 + Fe+2
|
|
log_k -29.9263
|
|
delta_h -0 kcal
|
|
CH4(g)
|
|
CH4 + 3 H2O = CO3-2 + 8 e- + 10 H+
|
|
log_k -40.1
|
|
delta_h 61 kcal
|
|
CO2(g)
|
|
CO2 + H2O = CO3-2 + 2 H+
|
|
log_k -18.16
|
|
delta_h 0.53 kcal
|
|
O2(g)
|
|
O2 + 4 H+ + 4 e- = 2 H2O
|
|
log_k 83.12
|
|
delta_h -133.83 kcal
|
|
Hg(g)
|
|
Hg = 0.5 Hg2+2 + e-
|
|
log_k -7.8708
|
|
delta_h 5.265 kcal
|
|
Hg2(g)
|
|
Hg2 = Hg2+2 + 2 e-
|
|
log_k -14.963
|
|
delta_h 13.87 kcal
|
|
Hg(CH3)2(g)
|
|
Hg(CH3)2 + 8 H2O = Hg(OH)2 + 2 CO3-2 + 16 e- + 20 H+
|
|
log_k -73.724
|
|
delta_h 115.4 kcal
|
|
HgBr(g)
|
|
HgBr = 0.5 Hg2+2 + Br-
|
|
log_k 16.79
|
|
delta_h -34.004 kcal
|
|
HgCl(g)
|
|
HgCl = 0.5 Hg2+2 + Cl-
|
|
log_k 20.5
|
|
delta_h -40.098 kcal
|
|
HgF(g)
|
|
HgF = 0.5 Hg2+2 + F-
|
|
log_k 32.72
|
|
delta_h -60.916 kcal
|
|
HgI(g)
|
|
HgI = 0.5 Hg2+2 + I-
|
|
log_k 11.15
|
|
delta_h -25.264 kcal
|
|
HgBr2(g)
|
|
HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+
|
|
log_k -18.47
|
|
delta_h 14.35 kcal
|
|
HgF2(g)
|
|
HgF2 + 2 H2O = Hg(OH)2 + 2 F- + 2 H+
|
|
log_k 0.38
|
|
delta_h -0 kcal
|
|
HgI2(g)
|
|
HgI2 + 2 H2O = Hg(OH)2 + 2 I- + 2 H+
|
|
log_k -27.28
|
|
delta_h 28.63 kcal
|
|
SURFACE_MASTER_SPECIES
|
|
Hfo_s Hfo_sOH
|
|
Hfo_w Hfo_wOH
|
|
SURFACE_SPECIES
|
|
Hfo_wOH = Hfo_wOH
|
|
log_k 0
|
|
Hfo_sOH = Hfo_sOH
|
|
log_k 0
|
|
Hfo_wOH = Hfo_wO- + H+
|
|
log_k -8.93
|
|
Hfo_wOH + H+ = Hfo_wOH2+
|
|
log_k 7.29
|
|
Hfo_sOH = Hfo_sO- + H+
|
|
log_k -8.93
|
|
Hfo_sOH + H+ = Hfo_sOH2+
|
|
log_k 7.29
|
|
Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
|
|
log_k -1.99
|
|
Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
|
|
log_k 0.97
|
|
Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+
|
|
log_k -2.9
|
|
Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+
|
|
log_k 0.43
|
|
Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+
|
|
log_k 2.85
|
|
Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+
|
|
log_k 0.6
|
|
Hfo_sOH + Be+2 = Hfo_sOBe+ + H+
|
|
log_k 1.898
|
|
Hfo_wOH + Be+2 = Hfo_wOBe+ + H+
|
|
log_k -0.8626
|
|
Hfo_sOH + Ni+2 = Hfo_sONi+ + H+
|
|
log_k 0.15
|
|
Hfo_wOH + Ni+2 = Hfo_wONi+ + H+
|
|
log_k -2.5
|
|
Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+
|
|
log_k 4.71
|
|
Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+
|
|
log_k 0.3
|
|
Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+
|
|
log_k -5.85
|
|
Hfo_sOH + Ca+2 = Hfo_sOHCa+2
|
|
log_k 4.97
|
|
Hfo_sOH + Ba+2 = Hfo_sOHBa+2
|
|
log_k 5.46
|
|
Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+
|
|
log_k -7.2
|
|
Hfo_sOH + H+ + SO4-2 = Hfo_sSO4- + H2O
|
|
log_k 7.78
|
|
Hfo_wOH + H+ + SO4-2 = Hfo_wSO4- + H2O
|
|
log_k 7.78
|
|
Hfo_sOH + SO4-2 = Hfo_sOHSO4-2
|
|
log_k 0.79
|
|
Hfo_wOH + SO4-2 = Hfo_wOHSO4-2
|
|
log_k 0.79
|
|
Hfo_sOH + PO4-3 + 3 H+ = Hfo_sH2PO4 + H2O
|
|
log_k 31.29
|
|
Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O
|
|
log_k 31.29
|
|
Hfo_sOH + PO4-3 + 2 H+ = Hfo_sHPO4- + H2O
|
|
log_k 25.39
|
|
Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O
|
|
log_k 25.39
|
|
Hfo_sOH + PO4-3 + H+ = Hfo_sPO4-2 + H2O
|
|
log_k 17.72
|
|
Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O
|
|
log_k 17.72
|
|
Hfo_sOH + H3AsO3 = Hfo_sH2AsO3 + H2O
|
|
log_k 5.41
|
|
Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O
|
|
log_k 5.41
|
|
Hfo_sOH + H3AsO4 = Hfo_sH2AsO4 + H2O
|
|
log_k 8.67
|
|
Hfo_wOH + H3AsO4 = Hfo_wH2AsO4 + H2O
|
|
log_k 8.67
|
|
Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+
|
|
log_k 2.99
|
|
Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+
|
|
log_k 2.99
|
|
Hfo_sOH + H3AsO4 = Hfo_sAsO4-2 + H2O + 2 H+
|
|
log_k -4.7
|
|
Hfo_wOH + H3AsO4 = Hfo_wAsO4-2 + H2O + 2 H+
|
|
log_k -4.7
|
|
Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3 H+
|
|
log_k -10.15
|
|
Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3 H+
|
|
log_k -10.15
|
|
Hfo_sOH + H3BO3 = Hfo_sH2BO3 + H2O
|
|
log_k 0.62
|
|
Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O
|
|
log_k 0.62
|
|
END
|
|
|