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9e8d773e Merge pull request #74 from mwtoews/fix-typos dc8e003f Fix typos git-subtree-dir: database git-subtree-split: 9e8d773e18b9bbd8517b340061d6f509515fa019
12845 lines
668 KiB
Plaintext
12845 lines
668 KiB
Plaintext
#####PHREEQC database based on the thesis of M. CHERIF
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##### (Cherif 2017 )Modélisation dynamique de la (bio)disponibilité des radionucléides dans les sols : approche comparative modèles-expériences appliquée au transfert de césium dans la rhizosphère
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#####(Cherif 2017) A robust and parsimonious model for caesium sorption on clay minerals and natural clay materials.
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SURFACE_MASTER_SPECIES # master species (like for species in solution)
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Illitex IllitexOH+0.5
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Montx MontxOH+0.5
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Kaolinitex KaolinitexOH+0.5
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SURFACE_SPECIES # list of chemical reactions (like for species in solution)
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################# illite
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IllitexOH+0.5 = IllitexOH+0.5
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Log_k 0.0
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IllitexOH+0.5 = IllitexO-0.5 + H+
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Log_k -3.46
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IllitexOH+0.5 + Cs+ = IllitexOCs+0.5 + H+
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Log_k 5.2
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IllitexOH+0.5 + Na+ = IllitexONa+0.5 + H+
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Log_k -1.8
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IllitexOH+0.5 + K+ = IllitexOK+0.5 + H+
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Log_k 0.6
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IllitexOH+0.5 + Ca+2 = IllitexOCa+1.5 + H+
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Log_k -5
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IllitexOH+0.5 + NH4+ = IllitexONH4+0.5 + H+
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Log_k 1.5
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################### montmorillonite_SOH
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MontxOH+0.5 = MontxOH+0.5
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Log_k 0.0
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MontxOH+0.5 = MontxO-0.5 + H+
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Log_k -3.4
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MontxOH+0.5 + Cs+ = MontxOCs+0.5 + H+
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Log_k 4.3
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MontxOH+0.5 + Na+ = MontxONa+0.5 + H+
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Log_k -1.3
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MontxOH+0.5 + Ca+2 = MontxOCa+1.5 + H+
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Log_k -1.4
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MontxOH+0.5 + K+ = MontxOK+0.5 + H+
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Log_k 0.1
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#MontxOH+0.5 + NH4+ = MontxONH4+0.5 + H+
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#Log_k 0.1
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############## kaolinite_SOH
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KaolinitexOH+0.5 = KaolinitexOH+0.5
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Log_k 0.0
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KaolinitexOH+0.5 = KaolinitexO-0.5 + H+
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Log_k -4.36
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KaolinitexOH+0.5 + Cs+ = KaolinitexOCs+0.5 + H+
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Log_k 1.8
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KaolinitexOH+0.5 + Na+ = KaolinitexONa+0.5 + H+
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Log_k -4.15
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KaolinitexOH+0.5 + K+ = KaolinitexOK+0.5 + H+
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Log_k -1.6
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KaolinitexOH+0.5 + NH4+ = KaolinitexONH4+0.5 + H+
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Log_k -1.6
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KaolinitexOH+0.5 + Ca+2 = KaolinitexOCa+1.5 + H+
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Log_k -5.9
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EXCHANGE_MASTER_SPECIES
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Illi Illi- # Illite
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Mont Mont- #Montmorillionite
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Kao Kao- # Kaolinite
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#M_o M_o- #M.O
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EXCHANGE_SPECIES
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#### Illite
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Illi- = Illi-
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Log_k 0
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Ca+2 + 2Illi- = CaIlli2
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Log_k 0
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Cs+ + Illi- = CsIlli
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Log_k 2.6
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K+ + Illi- = KIlli
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Log_k 1.65
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Mg+2 + 2Illi- = MgIlli2
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Log_k 0
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Na+ + Illi- = NaIlli
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Log_k 0.15
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#### Montmorillionite
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Mont- = Mont-
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Log_k 0
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Ca+2 + 2Mont- = CaMont2
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Log_k 0
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Cs+ + Mont- = CsMont
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Log_k 0.85
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K+ + Mont- = KMont
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Log_k 0.05
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Mg+2 + 2Mont- = MgMont2
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Log_k -0.75
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Na+ + Mont- = NaMont
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Log_k -0.54
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#### Kaolinite
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Kao- = Kao-
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Log_k 0
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Ca+2 + 2Kao- = CaKao2
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Log_k 0
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Cs+ + Kao- = CsKao
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Log_k 2.245
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K+ + Kao- = KKao
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Log_k 0.145
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Na+ + Kao- = NaKao
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Log_k 0.145
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### M.O
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#M_o- = M_o-
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#Log_k 0
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#Ca+2 + 2M_o- = CaM_o2
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#Log_k -1
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#K+ + M_o- = KM_o
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#log_k 2
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#Na+ + M_o- = NaM_o
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#Log_k 1
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#Mg+2 + 2M_o- = MgM_o2
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#Log_k 0
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# PHREEQC database
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# Base de Donnee Thermoddem_MAJ2016_final6d
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# Version V1.10
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# BDD Date : 6/6/2017 6:13:45 PM
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# Converted on 6/6/2017 6:15:22 PM by ThermoBridge 1.0.3.1
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# Data from Thermoddem V1.10 Code version 1.07_2.06
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# Thermochemical Database
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# from the BRGM institute (french geological survey)
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# The database is regularly updated. Kindly send comments or
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# corrections to the Thermoddem team
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LLNL_AQUEOUS_MODEL_PARAMETERS
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-temperatures
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0.0000 25.0000 60.0000 100.0000
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150.0000 200.0000 250.0000 300.0000
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#debye huckel a (adh)
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-dh_a
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0.4901 0.5095 0.5450 0.5986
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0.6867 0.8046 0.9710 1.2414
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#debye huckel b (bdh)
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-dh_b
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0.3245 0.3284 0.3343 0.3420
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0.3528 0.3647 0.3782 0.3950
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#bdot (bdot)
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-bdot
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0.0374 0.0410 0.0438 0.0460
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0.0470 0.0470 0.0340 0.0000
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#cco2 (coefficients for the Drummond (1981) polynomial)
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-co2_coefs
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-1.0312 0.0012806
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255.9 0.4445
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-0.00161
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NAMED_EXPRESSIONS
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#
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# formation of O2 from H2O
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# 2H2O = O2 + 4H+ + 4e-
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#
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Log_K_O2
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log_k -85.989
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delta_H 559.524 kJ/mol
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#
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-analytic 1.663E+2 2.28432E-2 -3.9534E+4 -5.46895E+1 7.84351E+5
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SOLUTION_MASTER_SPECIES
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#element species alk gfw_formula element_gfw
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Alkalinity HCO3- 1 Ca0.5(CO3)0.5 50.05
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E e- 0 0 0
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Ag Ag+ 0 Ag 107.868
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Ag(1) Ag+ 0 Ag 107.868
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Ag(2) Ag+2 0 Ag 107.868
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Al Al+3 0 Al 26.982
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Ar Ar 0 Ar 39.948
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As H2AsO4- 0 As 74.922
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As(-3) AsH3 0 As 74.922
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As(3) H2AsO3- 1 As 74.922
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As(5) H2AsO4- 0 As 74.922
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Au Au+ -1 Au 196.967
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Au(1) Au+ -1 Au 196.967
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Au(3) Au+3 0 Au 196.967
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B B(OH)3 0 B 10.811
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Ba Ba+2 0 Ba 137.34
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Be Be+2 0 Be 9.012
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Bi Bi+3 -2 Bi 208.98
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Br Br- 0 Br 79.904
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Br(-1) Br- 0 Br 79.904
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Br(-0.3) Br3- 0 Br 79.904
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Br(1) BrO- 1 Br 79.904
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Br(5) BrO3- 0 Br 79.904
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Br(7) BrO4- 0 Br 79.904
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C HCO3- 1 C 12.011
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C(-4) CH4 0 C 12.011
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C(2) CO 0 C 12.011
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C(4) HCO3- 1 C 12.011
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Ca Ca+2 0 Ca 40.078
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Cd Cd+2 0 Cd 112.41
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Ce Ce+3 0 Ce 140.12
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Ce(2) Ce+2 0 Ce 140.12
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Ce(3) Ce+3 0 Ce 140.12
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Ce(4) Ce+4 0 Ce 140.12
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Cl Cl- 0 Cl 35.452
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Cl(-1) Cl- 0 Cl 35.452
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Cl(1) ClO- 1 Cl 35.452
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Cl(3) ClO2- 0 Cl 35.452
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Cl(4) ClO2 0 Cl 35.452
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Cl(5) ClO3- 0 Cl 35.452
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Cl(7) ClO4- 0 Cl 35.452
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Co Co+2 0 Co 58.933
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Co(2) Co+2 0 Co 58.933
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Cr CrO4-2 1 Cr 51.966
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Cr(2) Cr+2 0 Cr 51.966
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Cr(3) Cr+3 -1 Cr 51.966
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Cr(6) CrO4-2 1 Cr 51.966
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Cs Cs+ 0 Cs 132.905
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Cu Cu+2 0 Cu 63.546
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Cu(1) Cu+ 0 Cu 63.546
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Cu(2) Cu+2 0 Cu 63.546
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Dy Dy+3 0 Dy 162.5
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Dy(2) Dy+2 0 Dy 162.5
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Dy(3) Dy+3 0 Dy 162.5
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Dy(4) Dy+4 0 Dy 162.5
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Er Er+3 0 Er 167.26
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Er(2) Er+2 0 Er 167.26
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Er(3) Er+3 0 Er 167.26
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Er(4) Er+4 0 Er 167.26
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Eu Eu+3 0 Eu 151.964
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Eu(2) Eu+2 0 Eu 151.964
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Eu(3) Eu+3 0 Eu 151.964
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Eu(4) Eu+4 0 Eu 151.964
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F F- 0 F 18.998
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Fe Fe+2 0 Fe 55.847
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Fe(2) Fe+2 0 Fe 55.847
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Fe(3) Fe+3 -2 Fe 55.847
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Fr Fr+ 0 Fr 223.02
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Ga Ga+3 -4 Ga 69.723
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Gd Gd+3 0 Gd 157.25
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Gd(2) Gd+2 0 Gd 157.25
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Gd(3) Gd+3 0 Gd 157.25
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Gd(4) Gd+4 0 Gd 157.25
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Ge Ge(OH)4 0 Ge 72.61
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H H+ -1 H 1.008
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H(0) H2 0 H 1.008
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H(1) H+ -1 H 1.008
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He He 0 He 4.003
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Hf Hf+4 -3 Hf 178.49
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Hg Hg+2 -2 Hg 200.59
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Hg(0) Hg 0 Hg 200.59
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Hg(1) Hg2+2 0 Hg 200.59
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Hg(2) Hg+2 -2 Hg 200.59
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Ho Ho+3 0 Ho 164.93
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Ho(2) Ho+2 0 Ho 164.93
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Ho(3) Ho+3 0 Ho 164.93
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Ho(4) Ho+4 0 Ho 164.93
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I I- 0 I 126.904
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I(-1) I- 0 I 126.904
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I(-0.3) I3- 0 I 126.904
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I(1) IO- 0 I 126.904
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I(5) IO3- 0 I 126.904
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I(7) IO4- 0 I 126.904
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In In+3 -2 In 114.82
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K K+ 0 K 39.098
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Kr Kr 0 Kr 83.8
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La La+3 0 La 138.906
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La(2) La+2 0 La 138.906
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La(3) La+3 0 La 138.906
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Li Li+ 0 Li 6.941
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Lu Lu+3 0 Lu 174.967
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Lu(3) Lu+3 0 Lu 174.967
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Lu(4) Lu+4 0 Lu 174.967
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Mg Mg+2 0 Mg 24.305
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Mn Mn+2 0 Mn 54.938
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Mn(2) Mn+2 0 Mn 54.938
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Mn(3) Mn+3 0 Mn 54.938
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Mn(6) MnO4-2 0 Mn 54.938
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Mn(7) MnO4- 0 Mn 54.938
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Mo MoO4-2 0 Mo 95.94
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N NH3 1 N 14.007
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N(-5) CN- 1 N 14.007
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N(-3) NH3 1 N 14.007
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N(0) N2 0 N 14.007
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N(3) NO2- 0 N 14.007
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N(5) NO3- 0 N 14.007
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Na Na+ 0 Na 22.99
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Nb NbO3- 1 Nb 92.906
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Nd Nd+3 0 Nd 144.24
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Nd(2) Nd+2 0 Nd 144.24
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Nd(3) Nd+3 0 Nd 144.24
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Nd(4) Nd+4 0 Nd 144.24
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Ne Ne 0 Ne 20.18
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Ni Ni+2 0 Ni 58.693
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O H2O 0 O 15.999
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O(-2) H2O 0 O 15.999
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O(0) O2 0 O 15.999
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P H2PO4- 0 P 30.974
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P(-3) PH3 0 P 30.974
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P(2) H2PO2- 0 P 30.974
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P(3) H2PO3- 0 P 30.974
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P(5) H2PO4- 0 P 30.974
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Pb Pb+2 0 Pb 207.2
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Pd Pd+2 -2 Pd 106.42
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Pm Pm+3 0 Pm 144.913
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Pm(2) Pm+2 0 Pm 144.913
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Pm(3) Pm+3 0 Pm 144.913
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Pm(4) Pm+4 0 Pm 144.913
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Pr Pr+3 0 Pr 140.908
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Pr(2) Pr+2 0 Pr 140.908
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Pr(3) Pr+3 0 Pr 140.908
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Pr(4) Pr+4 0 Pr 140.908
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Pt Pt+2 -2 Pt 195.08
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Ra Ra+2 0 Ra 226.025
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Rb Rb+ 0 Rb 85.468
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Re ReO4- 0 Re 186.27
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Rh Rh+2 0 Rh 102.906
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Rh(2) Rh+2 0 Rh 102.906
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Rh(3) Rh+3 -2 Rh 102.906
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Rn Rn 0 Rn 222.018
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Ru RuO4-2 0 Ru 101.07
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Ru(2) Ru+2 0 Ru 101.07
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Ru(3) Ru+3 -2 Ru 101.07
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Ru(6) RuO4-2 0 Ru 101.07
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S SO4-2 0 S 32.066
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S(-2) HS- 1 S 32.066
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S(2) S2O3-2 0 S 32.066
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S(3) S2O4-2 0 S 32.066
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S(4) SO3-2 1 S 32.066
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S(5) S2O6-2 0 S 32.066
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S(6) SO4-2 0 S 32.066
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S(7) S2O8-2 0 S 32.066
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S(8) HSO5- 0 S 32.066
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Sb Sb(OH)3 0 Sb 121.76
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Sc Sc+3 0 Sc 44.956
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Se SeO3-2 1 Se 78.96
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Se(-2) HSe- 0 Se 78.96
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Se(4) SeO3-2 1 Se 78.96
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Se(6) SeO4-2 0 Se 78.96
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Si H4SiO4 0 Si 28.086
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Sm Sm+3 0 Sm 150.36
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Sm(2) Sm+2 0 Sm 150.36
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Sm(3) Sm+3 0 Sm 150.36
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Sm(4) Sm+4 0 Sm 150.36
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Sn Sn+2 -2 Sn 118.71
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Sr Sr+2 0 Sr 87.62
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Tb Tb+3 0 Tb 158.925
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Tb(2) Tb+2 0 Tb 158.925
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Tb(3) Tb+3 0 Tb 158.925
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Tb(4) Tb+4 0 Tb 158.925
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Tc TcO4- 0 Tc 97.907
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Th Th+4 0 Th 232.038
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Ti Ti(OH)4 0 Ti 47.87
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Tl Tl+ -1 Tl 204.383
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Tl(1) Tl+ -1 Tl 204.383
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Tl(3) Tl+3 -3 Tl 204.383
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Tm Tm+3 0 Tm 168.934
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Tm(2) Tm+2 0 Tm 168.934
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Tm(3) Tm+3 0 Tm 168.934
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Tm(4) Tm+4 0 Tm 168.934
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U UO2+2 0 U 238.029
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U(3) U+3 0 U 238.029
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U(4) U+4 -4 U 238.029
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U(5) UO2+ 0 U 238.029
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U(6) UO2+2 0 U 238.029
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V VO+2 0 V 50.942
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V(2) V+2 0 V 50.942
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V(3) V+3 -2 V 50.942
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V(4) VO+2 0 V 50.942
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V(5) VO2+ -2 V 50.942
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W WO4-2 0 W 183.84
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Xe Xe 0 Xe 131.29
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Y Y+3 0 Y 88.906
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Yb Yb+3 0 Yb 173.04
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Yb(2) Yb+2 0 Yb 173.04
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Yb(3) Yb+3 0 Yb 173.04
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Yb(4) Yb+4 0 Yb 173.04
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Zn Zn+2 0 Zn 65.39
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Zr ZrO+2 -1 Zr 91.224
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SOLUTION_SPECIES
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1.000H2O = H2O
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-llnl_gamma 3.4
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log_k 0.000
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#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; V°: Default value;
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1.000H+ = H+
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-llnl_gamma 9.0
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log_k 0.000
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1.000e- = e-
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-llnl_gamma 3.6
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log_k 0.000
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#References = S°: 89cox/wag; V°: Default value;
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1.000Al+3 = Al+3
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-llnl_gamma 9.0
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log_k 0.000
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#References = LogK/DGf: 06bla/pia; DHf/DHr: 89cox/wag; S°: Internal calculation; Cp: 95pok/hel; V°: 95pok/hel;
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1.000Ar = Ar
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-llnl_gamma 3.4
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log_k 0.000
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#References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
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1.000B(OH)3 = B(OH)3
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-llnl_gamma 3.4
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log_k 0.000
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#References = LogK/DGf: 95pok/sch; DHf/DHr: Internal calculation; S°: 95pok/sch; Cp: 95pok/sch; V°: 95pok/sch;
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1.000Ba+2 = Ba+2
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-llnl_gamma 5.0
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|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Be+2 = Be+2
|
|
-llnl_gamma 8.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Bi+3 = Bi+3
|
|
-llnl_gamma 8.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ca+2 = Ca+2
|
|
-llnl_gamma 6.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cd+2 = Cd+2
|
|
-llnl_gamma 5.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cs+ = Cs+
|
|
-llnl_gamma 2.5
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000F- = F-
|
|
-llnl_gamma 3.5
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Fr+ = Fr+
|
|
-llnl_gamma 4.1
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ga+3 = Ga+3
|
|
-llnl_gamma 4.5
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97ben/dia; DHf/DHr: Internal calculation; S°: 97ben/dia; Cp: 97ben/dia; V°: 97ben/dia;
|
|
|
|
1.000Ge(OH)4 = Ge(OH)4
|
|
-llnl_gamma 3.4
|
|
log_k 0.000
|
|
#References = LogK/DGf: 05pok/rou; DHf/DHr: Internal calculation; S°: 05pok/rou; Cp: 05pok/rou; V°: 05pok/rou;
|
|
|
|
1.000H4SiO4 = H4SiO4
|
|
-llnl_gamma 3.4
|
|
log_k 0.000
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 06bla/pia; V°: Default value;
|
|
|
|
1.000He = He
|
|
-llnl_gamma 3.4
|
|
log_k 0.000
|
|
#References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
|
|
|
|
1.000Hf+4 = Hf+4
|
|
-llnl_gamma 11.6
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000In+3 = In+3
|
|
-llnl_gamma 9.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000K+ = K+
|
|
-llnl_gamma 3.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Kr = Kr
|
|
-llnl_gamma 3.4
|
|
log_k 0.000
|
|
#References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
|
|
|
|
1.000Li+ = Li+
|
|
-llnl_gamma 6.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Mg+2 = Mg+2
|
|
-llnl_gamma 6.5
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000MoO4-2 = MoO4-2
|
|
-llnl_gamma 4.5
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Na+ = Na+
|
|
-llnl_gamma 4.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000NbO3- = NbO3-
|
|
-llnl_gamma 3.6
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ne = Ne
|
|
-llnl_gamma 3.4
|
|
log_k 0.000
|
|
#References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
|
|
|
|
1.000Ni+2 = Ni+2
|
|
-llnl_gamma 6.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 10pal/gam; S°: 10pal/gam; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Pb+2 = Pb+2
|
|
-llnl_gamma 4.5
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Pd+2 = Pd+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.000
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Pt+2 = Pt+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.000
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Ra+2 = Ra+2
|
|
-llnl_gamma 5.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Rb+ = Rb+
|
|
-llnl_gamma 2.5
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000ReO4- = ReO4-
|
|
-llnl_gamma 3.6
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Rn = Rn
|
|
-llnl_gamma 3.4
|
|
log_k 0.000
|
|
#References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
|
|
|
|
1.000Sb(OH)3 = Sb(OH)3
|
|
-llnl_gamma 3.4
|
|
log_k 0.000
|
|
#References = LogK/DGf: 03zot/shi; DHf/DHr: Internal calculation; S°: 03zot/shi; Cp: 03zot/shi; V°: 03zot/shi;
|
|
|
|
1.000Sc+3 = Sc+3
|
|
-llnl_gamma 9.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Sn+2 = Sn+2
|
|
-llnl_gamma 6.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Sr+2 = Sr+2
|
|
-llnl_gamma 5.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000TcO4- = TcO4-
|
|
-llnl_gamma 3.6
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Th+4 = Th+4
|
|
-llnl_gamma 11.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ti(OH)4 = Ti(OH)4
|
|
-llnl_gamma 3.4
|
|
log_k 0.000
|
|
#References = LogK/DGf: 01ste; DHf/DHr: Internal calculation; S°: 01ste; Cp: 01ste; V°: 01ste;
|
|
|
|
1.000WO4-2 = WO4-2
|
|
-llnl_gamma 5.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Xe = Xe
|
|
-llnl_gamma 3.4
|
|
log_k 0.000
|
|
#References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
|
|
|
|
1.000Y+3 = Y+3
|
|
-llnl_gamma 9.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Zn+2 = Zn+2
|
|
-llnl_gamma 6.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000ZrO+2 = ZrO+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ag+ = Ag+
|
|
-llnl_gamma 2.5
|
|
log_k 0.000
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Au+ = Au+
|
|
-llnl_gamma 4.1
|
|
log_k 0.000
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Br- = Br-
|
|
-llnl_gamma 3.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ce+3 = Ce+3
|
|
-llnl_gamma 9.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cl- = Cl-
|
|
-llnl_gamma 3.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Co+2 = Co+2
|
|
-llnl_gamma 6.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98ply/zha; S°: 98ply/zha; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000CrO4-2 = CrO4-2
|
|
-llnl_gamma 4.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cu+2 = Cu+2
|
|
-llnl_gamma 6.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 89cox/wag; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Dy+3 = Dy+3
|
|
-llnl_gamma 8.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Er+3 = Er+3
|
|
-llnl_gamma 8.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Eu+3 = Eu+3
|
|
-llnl_gamma 8.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Fe+2 = Fe+2
|
|
-llnl_gamma 6.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 95par/kho; DHf/DHr: 95par/kho; S°: Internal calculation; Cp: 88sho/hel,85hel,89bsho/hel,97asho/sas; V°: 88sho/hel,85hel,89bsho/hel,97asho/sas;
|
|
|
|
1.000Gd+3 = Gd+3
|
|
-llnl_gamma 4.5
|
|
log_k 0.000
|
|
#References = LogK/DGf: 00deb/cas; DHf/DHr: Internal calculation; S°: 00deb/cas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H2AsO4- = H2AsO4-
|
|
-llnl_gamma 3.6
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H2PO4- = H2PO4-
|
|
-llnl_gamma 4.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000HCO3- = HCO3-
|
|
-llnl_gamma 4.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Hg+2 = Hg+2
|
|
-llnl_gamma 5.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 88sho/hel; V°: 88sho/hel;
|
|
|
|
1.000Ho+3 = Ho+3
|
|
-llnl_gamma 8.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000I- = I-
|
|
-llnl_gamma 3.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000La+3 = La+3
|
|
-llnl_gamma 9.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Lu+3 = Lu+3
|
|
-llnl_gamma 8.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Mn+2 = Mn+2
|
|
-llnl_gamma 6.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Nd+3 = Nd+3
|
|
-llnl_gamma 9.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000NH3 = NH3
|
|
-llnl_gamma 3.4
|
|
log_k 0.000
|
|
#References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
|
|
|
|
1.000Pm+3 = Pm+3
|
|
-llnl_gamma 8.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Pr+3 = Pr+3
|
|
-llnl_gamma 9.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Rh+2 = Rh+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.000
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000RuO4-2 = RuO4-2
|
|
-llnl_gamma 4.7
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000SeO3-2 = SeO3-2
|
|
-llnl_gamma 4.7
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Sm+3 = Sm+3
|
|
-llnl_gamma 9.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000SO4-2 = SO4-2
|
|
-llnl_gamma 4.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Tb+3 = Tb+3
|
|
-llnl_gamma 8.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Tl+ = Tl+
|
|
-llnl_gamma 2.5
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Tm+3 = Tm+3
|
|
-llnl_gamma 8.2
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000UO2+2 = UO2+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000VO+2 = VO+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.000
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Yb+3 = Yb+3
|
|
-llnl_gamma 9.0
|
|
log_k 0.000
|
|
#References = LogK/DGf: 00deb/cas; DHf/DHr: Internal calculation; S°: 00deb/cas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
|
|
0.250O2 + 1.000Ag+ + 1.000H+ = Ag+2 + 0.500H2O
|
|
-llnl_gamma 5.7
|
|
log_k -12.128
|
|
delta_h 23.455 #kJ/mol #88sho/hel
|
|
-analytic -1.9545242E+2 -3.567574E-2 8.4215763E+3 6.9552741E+1 -5.67903E+5
|
|
#References = LogK/DGf: 88sho/hel; DHf/DHr: Internal calculation; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel;
|
|
|
|
1.000H2AsO4- + 1.000H+ = AsH3 + 2.000O2
|
|
-llnl_gamma 3.4
|
|
log_k -155.192
|
|
delta_h 953.551 #kJ/mol #Internal calculation
|
|
-analytic 1.0159238E+3 1.6805983E-1 -1.0965093E+5 -3.6367194E+2 4.1273705E+6
|
|
#References = LogK/DGf: 92wol; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho;
|
|
|
|
0.500O2 + 1.000Au+ + 2.000H+ = Au+3 + 1.000H2O
|
|
-llnl_gamma 8.2
|
|
log_k -4.358
|
|
delta_h -59.461 #kJ/mol #97asho/sas
|
|
-analytic -4.5876162E+2 -7.4638795E-2 2.6557937E+4 1.6273978E+2 -1.342931E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500O2 + 3.000Br- + 2.000H+ = Br3- + 1.000H2O
|
|
-llnl_gamma 3.6
|
|
log_k 7.063
|
|
delta_h -45.557 #kJ/mol #88sho/hel
|
|
-analytic 1.3830453E+3 2.2559836E-1 -7.4051421E+4 -5.0402367E+2 4.6489958E+6
|
|
#References = LogK/DGf: 88sho/hel; DHf/DHr: Internal calculation; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel;
|
|
|
|
0.500O2 + 1.000Br- = BrO-
|
|
-llnl_gamma 3.6
|
|
log_k -10.916
|
|
delta_h 33.468 #kJ/mol #97asho/sas
|
|
-analytic -1.2104679E+2 -1.7516604E-2 5.9244002E+3 4.1227992E+1 -5.8077025E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.500O2 + 1.000Br- = BrO3-
|
|
-llnl_gamma 3.5
|
|
log_k -17.143
|
|
delta_h 72.640 #kJ/mol #97asho/sas
|
|
-analytic -1.8193567E+2 -2.9510373E-2 9.4047169E+3 6.263996E+1 -1.1512394E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000O2 + 1.000Br- = BrO4-
|
|
-llnl_gamma 3.6
|
|
log_k -33.102
|
|
delta_h 158.659 #kJ/mol #97asho/sas
|
|
-analytic -1.9678394E+2 -3.302956E-2 6.1026295E+3 6.766923E+1 -1.2784539E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ce+3 + 0.500H2O = Ce+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -85.049
|
|
delta_h 546.025 #kJ/mol #97asho/sas
|
|
-analytic 2.8079839E+2 4.6296401E-2 -4.4215047E+4 -9.8299823E+1 1.0564236E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000Ce+3 + 1.000H+ = Ce+4 + 0.500H2O
|
|
-llnl_gamma 11.0
|
|
log_k -8.043
|
|
delta_h -15.531 #kJ/mol #97asho/sas
|
|
-analytic -9.12074E+1 -1.6510454E-2 1.8397086E+3 3.1983392E+1 2.467589E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000HCO3- + 1.000H+ + 1.000H2O = CH4 + 2.000O2
|
|
-llnl_gamma 3.4
|
|
log_k -144.118
|
|
delta_h 863.586 #kJ/mol #01sch/sho
|
|
-analytic 1.1089192E+3 1.7911561E-1 -1.1128796E+5 -3.9785644E+2 4.5594397E+6
|
|
#References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho;
|
|
|
|
0.500O2 + 1.000Cl- = ClO-
|
|
-llnl_gamma 3.6
|
|
log_k -15.088
|
|
delta_h 65.482 #kJ/mol #97asho/sas
|
|
-analytic -1.2718224E+2 -1.75488E-2 4.9174306E+3 4.363286E+1 -6.3414787E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.250O2 + 1.000Cl- + 1.000H+ = ClO2 + 0.500H2O
|
|
-llnl_gamma 3.4
|
|
log_k -19.629
|
|
delta_h 114.140 #kJ/mol #01sch/sho
|
|
-analytic 1.8317231E+2 4.4104676E-2 -1.0240138E+4 -7.2560388E+1 -1.831063E+5
|
|
#References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho;
|
|
|
|
1.000O2 + 1.000Cl- = ClO2-
|
|
-llnl_gamma 4.2
|
|
log_k -23.095
|
|
delta_h 112.653 #kJ/mol #97asho/sas
|
|
-analytic -1.6180803E+2 -2.4105525E-2 5.1854867E+3 5.5981597E+1 -8.9022279E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.500O2 + 1.000Cl- = ClO3-
|
|
-llnl_gamma 3.5
|
|
log_k -17.247
|
|
delta_h 81.246 #kJ/mol #97asho/sas
|
|
-analytic -1.7354285E+2 -2.7188036E-2 8.414888E+3 5.9993829E+1 -1.090942E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000O2 + 1.000Cl- = ClO4-
|
|
-llnl_gamma 3.5
|
|
log_k -15.695
|
|
delta_h 62.602 #kJ/mol #89cox/wag
|
|
-analytic -2.6467008E+2 -4.0305028E-2 1.5479728E+4 9.1600645E+1 -1.56335E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000HCO3- + 1.000NH3 = CN- + 0.500O2 + 2.000H2O
|
|
-llnl_gamma 3.0
|
|
log_k -56.049
|
|
delta_h 344.462 #kJ/mol #97asho/sas
|
|
-analytic 1.6302091E+2 2.3952878E-2 -2.8712128E+4 -5.6276591E+1 8.3044551E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000HCO3- + 1.000H+ = CO + 0.500O2 + 1.000H2O
|
|
-llnl_gamma 3.4
|
|
log_k -41.718
|
|
delta_h 277.073 #kJ/mol #93sho/mck, 01sch/sho
|
|
-analytic 8.746106E+2 1.4252797E-1 -6.5750756E+4 -3.1413793E+2 3.4685499E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 93sho/mck, 01sch/sho; S°: 82wag/eva; Cp: 93sho/mck, 01sch/sho; V°: 93sho/mck, 01sch/sho;
|
|
|
|
1.000CrO4-2 + 4.000H+ = Cr+2 + 1.000O2 + 2.000H2O
|
|
-llnl_gamma 5.7
|
|
log_k -18.752
|
|
delta_h 137.506 #kJ/mol #04chi
|
|
-analytic 1.1571011E+3 1.9229541E-1 -7.4152807E+4 -4.1812509E+2 4.4577016E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000CrO4-2 + 5.000H+ = Cr+3 + 0.750O2 + 2.500H2O
|
|
-llnl_gamma 9.0
|
|
log_k 9.124
|
|
delta_h -85.176 #kJ/mol #04chi
|
|
-analytic 9.417606E+2 1.5606615E-1 -5.1484286E+4 -3.4311234E+2 3.7798299E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cu+2 + 0.500H2O = Cu+ + 0.250O2 + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -18.664
|
|
delta_h 145.276 #kJ/mol #Internal calculation
|
|
-analytic 2.5350816E+2 4.0507587E-2 -2.1379261E+4 -8.9803E+1 8.5944041E+5
|
|
#References = LogK/DGf: 95bev/pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Dy+3 + 0.500H2O = Dy+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -62.472
|
|
delta_h 418.654 #kJ/mol #97asho/sas
|
|
-analytic 2.4185668E+2 4.0042984E-2 -3.4676181E+4 -8.4491811E+1 8.0949201E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000Dy+3 + 1.000H+ = Dy+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -54.002
|
|
delta_h 249.675 #kJ/mol #97asho/sas
|
|
-analytic -1.1901749E+2 -2.1139467E-2 -9.5987444E+3 4.1769656E+1 1.3871274E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Er+3 + 0.500H2O = Er+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -71.561
|
|
delta_h 472.033 #kJ/mol #97asho/sas
|
|
-analytic 2.4851675E+2 4.1004154E-2 -3.7974416E+4 -8.6710913E+1 8.5549067E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000Er+3 + 1.000H+ = Er+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -75.113
|
|
delta_h 373.168 #kJ/mol #97asho/sas
|
|
-analytic -1.1417897E+2 -2.0370401E-2 -1.6385901E+4 4.0248554E+1 4.4963541E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Eu+3 + 0.500H2O = Eu+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -27.435
|
|
delta_h 217.412 #kJ/mol #97asho/sas
|
|
-analytic 2.5415948E+2 4.1772209E-2 -2.5139226E+4 -8.8824245E+1 8.9415907E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000Eu+3 + 1.000H+ = Eu+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -82.809
|
|
delta_h 412.235 #kJ/mol #97asho/sas
|
|
-analytic -1.127134E+2 -2.0259799E-2 -1.8757949E+4 3.9575168E+1 8.2924517E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000Fe+2 + 1.000H+ = Fe+3 + 0.500H2O
|
|
-llnl_gamma 9.0
|
|
log_k 8.489
|
|
delta_h -98.882 #kJ/mol #95par/kho
|
|
-analytic -2.0405398E+2 -3.4037294E-2 1.5615559E+4 7.1674877E+1 -6.2565545E+5
|
|
#References = LogK/DGf: 95par/kho; DHf/DHr: 95par/kho; S°: Internal calculation; Cp: 88sho/hel,89bsho/hel,97asho/sas; V°: 88sho/hel,89bsho/hel,97asho/sas;
|
|
|
|
1.000Gd+3 + 0.500H2O = Gd+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -86.376
|
|
delta_h 547.321 #kJ/mol #97asho/sas
|
|
-analytic 2.5024202E+2 4.1272782E-2 -4.2216249E+4 -8.7807587E+1 8.8400708E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000Gd+3 + 1.000H+ = Gd+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -104.368
|
|
delta_h 525.766 #kJ/mol #97asho/sas
|
|
-analytic -1.1663602E+2 -2.0890525E-2 -2.4510331E+4 4.0407056E+1 6.4033712E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H2O = H2 + 0.500O2
|
|
-CO2_llnl_gamma
|
|
log_k -46.071
|
|
delta_h 275.563 #kJ/mol #82wag/eva
|
|
-analytic 1.678481E+2 3.0016048E-2 -2.5153589E+4 -5.9825997E+1 8.4742769E+5
|
|
#References = LogK/DGf: 82wag/eva; DHf/DHr: Internal calculation; S°: 82wag/eva; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
|
|
|
|
1.000H2AsO4- = H2AsO3- + 0.500O2
|
|
-llnl_gamma 3.6
|
|
log_k -30.565
|
|
delta_h 194.451 #kJ/mol #Internal calculation
|
|
-analytic 2.9326992E+2 4.8837651E-2 -2.8918197E+4 -1.0408672E+2 1.4357887E+6
|
|
#References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app;
|
|
|
|
1.000H2PO4- = H2PO2- + 1.000O2
|
|
-llnl_gamma 3.6
|
|
log_k -112.400
|
|
delta_h 676.548 #kJ/mol #97asho/sas
|
|
-analytic 1.8769966E+2 3.1944258E-2 -4.7396437E+4 -6.5257379E+1 9.6182614E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H2PO4- = H2PO3- + 0.500O2
|
|
-llnl_gamma 3.6
|
|
log_k -52.346
|
|
delta_h 327.001 #kJ/mol #97asho/sas
|
|
-analytic 1.6598506E+2 2.7516765E-2 -2.7411253E+4 -5.7969715E+1 7.8621384E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Hg+2 + 1.000H2O = Hg + 0.500O2 + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -20.648
|
|
delta_h 122.056 #kJ/mol #Internal calculation
|
|
-analytic 5.3682508E+2 8.594179E-2 -4.018447E+4 -1.9239623E+2 2.467169E+6
|
|
#References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app;
|
|
|
|
2.000Hg+2 + 1.000H2O = Hg2+2 + 0.500O2 + 2.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -12.201
|
|
delta_h 106.213 #kJ/mol #89cox/wag
|
|
-analytic 4.1563065E+2 6.3166454E-2 -2.8380355E+4 -1.4830773E+2 1.3779442E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ho+3 + 0.500H2O = Ho+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -68.776
|
|
delta_h 452.641 #kJ/mol #97asho/sas
|
|
-analytic 2.4568932E+2 4.0689948E-2 -3.6770012E+4 -8.5954791E+1 8.3735341E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000H+ + 1.000Ho+3 = Ho+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -74.453
|
|
delta_h 365.036 #kJ/mol #97asho/sas
|
|
-analytic -1.1652943E+2 -2.0653226E-2 -1.5839935E+4 4.0809201E+1 3.3943026E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H+ + 1.000SO4-2 = HS- + 2.000O2
|
|
-llnl_gamma 3.5
|
|
log_k -138.287
|
|
delta_h 868.772 #kJ/mol #89cox/wag
|
|
-analytic 1.0441996E+3 1.6867288E-1 -1.0699902E+5 -3.724144E+2 4.2326691E+6
|
|
#References = LogK/DGf: 89cox/wag; DHf/DHr: Internal calculation; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H+ + 1.000SeO3-2 = HSe- + 1.500O2
|
|
-llnl_gamma 3.6
|
|
log_k -76.843
|
|
delta_h 507.180 #kJ/mol #97asho/sas
|
|
-analytic 9.3741229E+2 1.5397729E-1 -8.0713204E+4 -3.3561018E+2 3.6442211E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500O2 + 1.000H+ + 1.000SO4-2 = HSO5-
|
|
-llnl_gamma 3.6
|
|
log_k -17.206
|
|
delta_h 139.702 #kJ/mol #97asho/sas
|
|
-analytic 8.9276681E+2 1.4042347E-1 -5.7825399E+4 -3.2083393E+2 3.1992361E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500O2 + 2.000H+ + 3.000I- = I3- + 1.000H2O
|
|
-llnl_gamma 3.6
|
|
log_k 24.721
|
|
delta_h -160.570 #kJ/mol #88sho/hel
|
|
-analytic 1.3179538E+3 2.1952817E-1 -6.4111456E+4 -4.8220423E+2 4.4027398E+6
|
|
#References = LogK/DGf: 88sho/hel; DHf/DHr: Internal calculation; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel;
|
|
|
|
0.500O2 + 1.000I- = IO-
|
|
-llnl_gamma 3.6
|
|
log_k -0.903
|
|
delta_h -44.643 #kJ/mol #97asho/sas
|
|
-analytic -1.92196E+2 -2.7455327E-2 1.4161844E+4 6.5360502E+1 -8.6679125E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.500O2 + 1.000I- = IO3-
|
|
-llnl_gamma 4.2
|
|
log_k 17.682
|
|
delta_h -146.163 #kJ/mol #97asho/sas
|
|
-analytic -2.516545E+2 -3.9000377E-2 2.4364223E+4 8.6616101E+1 -1.3404516E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000O2 + 1.000I- = IO4-
|
|
-llnl_gamma 3.5
|
|
log_k 6.964
|
|
delta_h -70.413 #kJ/mol #97asho/sas
|
|
-analytic -1.9590197E+2 -3.1524516E-2 1.8212346E+4 6.697838E+1 -1.2936913E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000La+3 + 0.500H2O = La+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -84.755
|
|
delta_h 547.220 #kJ/mol #97asho/sas
|
|
-analytic 2.5090096E+2 4.0755619E-2 -4.2260481E+4 -8.7340105E+1 8.9355822E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000H+ + 1.000Lu+3 = Lu+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -115.135
|
|
delta_h 603.486 #kJ/mol #97asho/sas
|
|
-analytic -1.178367E+2 -2.1093167E-2 -2.8087009E+4 4.1644657E+1 1.3168582E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000H+ + 1.000Mn+2 = Mn+3 + 0.500H2O
|
|
-llnl_gamma 8.2
|
|
log_k -4.011
|
|
delta_h -46.901 #kJ/mol #97asho/sas
|
|
-analytic -2.2234346E+2 -3.720933E-2 1.4113871E+4 7.6981715E+1 -7.465544E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.250O2 + 1.000Mn+2 + 1.500H2O = MnO4- + 3.000H+
|
|
-llnl_gamma 3.5
|
|
log_k -20.211
|
|
delta_h 121.692 #kJ/mol #97asho/sas
|
|
-analytic -3.597212E+2 -6.3529128E-2 1.6759082E+4 1.3021059E+2 -1.7739534E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000O2 + 1.000Mn+2 + 2.000H2O = MnO4-2 + 4.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -32.325
|
|
delta_h 149.866 #kJ/mol #97asho/sas
|
|
-analytic -1.1624501E+3 -1.9323874E-1 5.9725768E+4 4.1963486E+2 -4.5283485E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.500O2 + 2.000NH3 = N2 + 3.000H2O
|
|
-llnl_gamma 3.4
|
|
log_k 116.439
|
|
delta_h -686.530 #kJ/mol #89bsho/hel, 01sch/sho
|
|
-analytic 1.3732258E+2 1.1139858E-2 2.6639639E+4 -4.8557772E+1 5.865786E+5
|
|
#References = LogK/DGf: 89bsho/hel, 01sch/sho; DHf/DHr: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
|
|
|
|
1.000Nd+3 + 0.500H2O = Nd+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -65.771
|
|
delta_h 434.239 #kJ/mol #97asho/sas
|
|
-analytic 2.7277403E+2 4.4517707E-2 -3.7862697E+4 -9.5455702E+1 1.011018E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000H+ + 1.000Nd+3 = Nd+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -61.772
|
|
delta_h 293.526 #kJ/mol #97asho/sas
|
|
-analytic -1.0028691E+2 -1.8225153E-2 -1.3620816E+4 3.5371087E+1 1.8753434E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.500O2 + 1.000NH3 = NO2- + 1.000H+ + 1.000H2O
|
|
-llnl_gamma 3.0
|
|
log_k 46.859
|
|
delta_h -290.816 #kJ/mol #97asho/sas
|
|
-analytic -7.5927886E+2 -1.2805697E-1 5.9191879E+4 2.7442778E+2 -2.9571437E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000O2 + 1.000NH3 = NO3- + 1.000H+ + 1.000H2O
|
|
-llnl_gamma 3.0
|
|
log_k 62.094
|
|
delta_h -386.885 #kJ/mol #97asho/sas
|
|
-analytic -8.0875831E+2 -1.3670731E-1 6.7677903E+4 2.9149633E+2 -3.2596944E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000H2O = O2 + 4.000e- + 4.000H+
|
|
-CO2_llnl_gamma
|
|
log_k -85.989
|
|
delta_h 559.524 #kJ/mol #By convention
|
|
-analytic 1.6630014E+2 2.2843205E-2 -3.9533953E+4 -5.4689515E+1 7.8435072E+5
|
|
#References = LogK/DGf: Internal calculation; S°: 89bsho/hel, 01sch/sho; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
|
|
|
|
1.000H+ + 1.000H2PO4- = PH3 + 2.000O2
|
|
-llnl_gamma 3.4
|
|
log_k -209.461
|
|
delta_h 1267.173 #kJ/mol #01sch/sho
|
|
-analytic 1.0769588E+3 1.7678148E-1 -1.3003333E+5 -3.8505604E+2 4.427175E+6
|
|
#References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho;
|
|
|
|
0.500H2O + 1.000Pm+3 = Pm+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -69.362
|
|
delta_h 453.618 #kJ/mol #97asho/sas
|
|
-analytic 2.7293959E+2 4.4959869E-2 -3.8905151E+4 -9.5645441E+1 1.0178437E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000H+ + 1.000Pm+3 = Pm+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -69.249
|
|
delta_h 335.579 #kJ/mol #97asho/sas
|
|
-analytic -9.5148213E+1 -1.7093712E-2 -1.6091167E+4 3.3403725E+1 2.0540448E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500H2O + 1.000Pr+3 = Pr+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -72.734
|
|
delta_h 476.108 #kJ/mol #97asho/sas
|
|
-analytic 2.7112131E+2 4.4675819E-2 -3.9680137E+4 -9.4959911E+1 9.6754566E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000H+ + 1.000Pr+3 = Pr+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -44.400
|
|
delta_h 195.239 #kJ/mol #97asho/sas
|
|
-analytic -1.0071753E+2 -1.7983179E-2 -8.2411833E+3 3.5394915E+1 1.5449648E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000H+ + 1.000Rh+2 = Rh+3 + 0.500H2O
|
|
-llnl_gamma 8.2
|
|
log_k 3.355
|
|
delta_h -71.111 #kJ/mol #97asho/sas,98sas/sho
|
|
-analytic -2.1919534E+2 -3.6687252E-2 1.5449654E+4 7.6841782E+1 -7.5287215E+5
|
|
#References = LogK/DGf: 97asho/sas,98sas/sho; DHf/DHr: Internal calculation; S°: 97asho/sas,98sas/sho; Cp: 97asho/sas,98sas/sho; V°: 97asho/sas,98sas/sho;
|
|
|
|
4.000H+ + 1.000RuO4-2 = Ru+2 + 1.000O2 + 2.000H2O
|
|
-llnl_gamma 5.7
|
|
log_k 1.392
|
|
delta_h 24.827 #kJ/mol #98sas/sho
|
|
-analytic 1.1618269E+3 1.92855E-1 -6.7651355E+4 -4.2020415E+2 4.3324314E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
5.000H+ + 1.000RuO4-2 = Ru+3 + 0.750O2 + 2.500H2O
|
|
-llnl_gamma 8.2
|
|
log_k 18.829
|
|
delta_h -127.532 #kJ/mol #98sas/sho
|
|
-analytic 9.4866694E+2 1.5727663E-1 -4.8624208E+4 -3.4543173E+2 3.653927E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
2.000H+ + 2.000SO4-2 = S2O3-2 + 2.000O2 + 1.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k -133.414
|
|
delta_h 856.296 #kJ/mol #04chi
|
|
-analytic 1.7543425E+3 2.8241381E-1 -1.4584847E+5 -6.2953346E+2 6.6633819E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000H+ + 2.000SO4-2 = S2O4-2 + 1.500O2 + 1.000H2O
|
|
-llnl_gamma 5.0
|
|
log_k -118.282
|
|
delta_h 761.149 #kJ/mol #04chi
|
|
-analytic 1.7105368E+3 2.7439703E-1 -1.3774623E+5 -6.1444789E+2 6.3811047E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000H+ + 2.000SO4-2 = S2O6-2 + 0.500O2 + 1.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k -50.824
|
|
delta_h 353.589 #kJ/mol #97asho/sas
|
|
-analytic 1.581889E+3 2.5151708E-1 -1.0765268E+5 -5.6979731E+2 5.6263157E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500O2 + 2.000H+ + 2.000SO4-2 = S2O8-2 + 1.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k -22.380
|
|
delta_h 194.179 #kJ/mol #97asho/sas
|
|
-analytic 1.5486009E+3 2.4379827E-1 -9.6001833E+4 -5.5802407E+2 5.2550472E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500O2 + 1.000SeO3-2 = SeO4-2
|
|
-llnl_gamma 4.7
|
|
log_k 13.984
|
|
delta_h -83.838 #kJ/mol #97asho/sas
|
|
-analytic -6.007863E+1 -1.0501225E-2 8.5380545E+3 2.1214066E+1 -3.4988989E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500H2O + 1.000Sm+3 = Sm+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -47.959
|
|
delta_h 326.954 #kJ/mol #97asho/sas
|
|
-analytic 2.6489572E+2 4.333311E-2 -3.1981354E+4 -9.2870498E+1 1.0039474E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000H+ + 1.000Sm+3 = Sm+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -65.877
|
|
delta_h 315.460 #kJ/mol #97asho/sas
|
|
-analytic -1.0011292E+2 -1.8166689E-2 -1.4758201E+4 3.5194252E+1 1.8363484E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000SO4-2 = SO3-2 + 0.500O2
|
|
-llnl_gamma 4.5
|
|
log_k -46.615
|
|
delta_h 272.213 #kJ/mol #04chi
|
|
-analytic 9.671919E+1 1.4160755E-2 -2.0794683E+4 -3.3793084E+1 5.1632279E+5
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500H2O + 1.000Tb+3 = Tb+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -80.211
|
|
delta_h 519.284 #kJ/mol #97asho/sas
|
|
-analytic 2.5740756E+2 4.260087E-2 -4.0974481E+4 -9.0086045E+1 8.908254E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000H+ + 1.000Tb+3 = Tb+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -30.766
|
|
delta_h 115.296 #kJ/mol #97asho/sas
|
|
-analytic -1.1010325E+2 -1.9543153E-2 -3.2691106E+3 3.8507867E+1 7.4980676E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500O2 + 2.000H+ + 1.000Tl+ = Tl+3 + 1.000H2O
|
|
-llnl_gamma 8.2
|
|
log_k -0.282
|
|
delta_h -88.585 #kJ/mol #Internal calculation
|
|
-analytic -4.0815388E+2 -6.7212309E-2 2.4460175E+4 1.4457796E+2 -1.0558311E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500H2O + 1.000Tm+3 = Tm+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -59.833
|
|
delta_h 403.343 #kJ/mol #97asho/sas
|
|
-analytic 2.4909332E+2 4.1165999E-2 -3.4445075E+4 -8.7029204E+1 8.6023434E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000H+ + 1.000Tm+3 = Tm+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -73.647
|
|
delta_h 363.428 #kJ/mol #97asho/sas
|
|
-analytic -1.138977E+2 -2.025512E-2 -1.5886523E+4 4.0041464E+1 4.3885574E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H+ + 1.000UO2+2 = U+3 + 0.750O2 + 0.500H2O
|
|
-llnl_gamma 8.2
|
|
log_k -65.060
|
|
delta_h 377.959 #kJ/mol #97asho/sas
|
|
-analytic -1.10532E+2 -1.4518639E-2 -1.3646509E+4 4.0112255E+1 -3.2744519E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000H+ + 1.000UO2+2 = U+4 + 0.500O2 + 1.000H2O
|
|
-llnl_gamma 11.6
|
|
log_k -33.960
|
|
delta_h 136.009 #kJ/mol #97asho/sas
|
|
-analytic -2.20067E+2 -3.4137081E-2 1.5178236E+3 7.8294708E+1 -2.258944E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500H2O + 1.000UO2+2 = UO2+ + 0.250O2 + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -20.024
|
|
delta_h 133.821 #kJ/mol #97asho/sas
|
|
-analytic 7.6747052E+1 1.4647725E-2 -8.7698994E+3 -2.8561979E+1 -9.3249141E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000VO+2 = V+2 + 0.500O2
|
|
-llnl_gamma 5.7
|
|
log_k -41.545
|
|
delta_h 254.628 #kJ/mol #97asho/sas
|
|
-analytic -1.8041743E+0 6.8849232E-4 -1.1973342E+4 8.7119862E-1 -1.7271697E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H+ + 1.000VO+2 = V+3 + 0.250O2 + 0.500H2O
|
|
-llnl_gamma 8.2
|
|
log_k -15.723
|
|
delta_h 79.603 #kJ/mol #97asho/sas
|
|
-analytic -1.7305776E+2 -2.7610019E-2 5.6212935E+3 6.2132739E+1 -6.2497713E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 0.500H2O + 1.000VO+2 = VO2+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k 4.581
|
|
delta_h -17.379 #kJ/mol #97asho/sas
|
|
-analytic -1.2416778E+1 -2.7024561E-3 5.3806338E+3 2.854646E+0 -6.4950201E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.500H2O + 1.000Yb+3 = Yb+2 + 0.250O2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -39.298
|
|
delta_h 279.889 #kJ/mol #97asho/sas
|
|
-analytic 2.4719715E+2 4.082987E-2 -2.8159224E+4 -8.6573955E+1 8.8891177E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.250O2 + 1.000H+ + 1.000Yb+3 = Yb+4 + 0.500H2O
|
|
-llnl_gamma 11.6
|
|
log_k -93.280
|
|
delta_h 473.623 #kJ/mol #97asho/sas
|
|
-analytic -1.1118408E+2 -1.9780747E-2 -2.1903921E+4 3.89954E+1 6.9017559E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
|
|
1.000Ag+ + 1.000HCO3- = Ag(CO3)- + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -7.625
|
|
delta_h -7.695 #kJ/mol #97sve/sho
|
|
-analytic 8.4652298E+1 7.6902866E-3 -5.337793E+3 -3.2488587E+1 3.3102063E+5
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Ag+ + 2.000HCO3- = Ag(CO3)2-3 + 2.000H+
|
|
-llnl_gamma 6.7
|
|
log_k -18.473
|
|
delta_h 1.186 #kJ/mol #97sve/sho
|
|
-analytic -4.5906538E+2 -8.6232054E-2 2.0926781E+4 1.650084E+2 -1.0835058E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Ag+ + 2.000HS- = Ag(HS)2-
|
|
-llnl_gamma 4.5
|
|
log_k 17.586
|
|
delta_h -101.091 #kJ/mol #01aki/zot
|
|
-analytic 1.0878197E+3 1.6776848E-1 -5.5051823E+4 -3.9447471E+2 3.5995886E+6
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Ag+ + 2.000H2O = Ag(OH)2- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -24.209
|
|
delta_h 93.954 #kJ/mol #01aki/zot
|
|
-analytic -4.5566234E+2 -8.2107414E-2 2.0308393E+4 1.6433477E+2 -1.6726703E+6
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Ag+ + 1.000Cl- = AgCl
|
|
-llnl_gamma 3.4
|
|
log_k 3.272
|
|
delta_h -17.432 #kJ/mol #01aki/zot
|
|
-analytic 7.1369537E+2 1.1107372E-1 -3.7903391E+4 -2.5933708E+2 2.249134E+6
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Ag+ + 2.000Cl- = AgCl2-
|
|
-llnl_gamma 3.6
|
|
log_k 5.170
|
|
delta_h -23.043 #kJ/mol #01aki/zot, d'apres 97tag/zot
|
|
-analytic 1.0064142E+3 1.5935088E-1 -5.3662908E+4 -3.6576586E+2 3.2264161E+6
|
|
#References = LogK/DGf: 01aki/zot, d'apres 97tag/zot; DHf/DHr: Internal calculation; S°: 01aki/zot, d'apres 97tag/zot; Cp: 01aki/zot, d'apres 97tag/zot; V°: 01aki/zot, d'apres 97tag/zot;
|
|
|
|
1.000Ag+ + 3.000Cl- = AgCl3-2
|
|
-llnl_gamma 4.7
|
|
log_k 5.169
|
|
delta_h -46.497 #kJ/mol #97sve/sho
|
|
-analytic 8.7084324E+2 1.3956023E-1 -4.8314277E+4 -3.1622045E+2 3.3094295E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Ag+ + 4.000Cl- = AgCl4-3
|
|
-llnl_gamma 6.7
|
|
log_k 3.855
|
|
delta_h -67.726 #kJ/mol #97sve/sho
|
|
-analytic 8.4377933E+2 1.3674476E-1 -4.7784012E+4 -3.0721551E+2 3.534257E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Ag+ + 1.000F- = AgF
|
|
-llnl_gamma 3.4
|
|
log_k 0.440
|
|
delta_h 0.604 #kJ/mol #97sve/sho
|
|
-analytic 8.2473024E+2 1.2774339E-1 -4.5563615E+4 -2.9905499E+2 2.7055851E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Ag+ + 1.000H2AsO3- = AgH2AsO3
|
|
-llnl_gamma 3.4
|
|
log_k 1.220
|
|
delta_h -12.252 #kJ/mol #Internal calculation
|
|
-analytic 5.3646667E+2 7.763305E-2 -2.7629822E+4 -1.9493049E+2 1.4774453E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Ag+ + 1.000HS- = AgHS
|
|
-llnl_gamma 3.4
|
|
log_k 13.606
|
|
delta_h -74.337 #kJ/mol #01aki/zot
|
|
-analytic 7.3850076E+2 1.1292081E-1 -3.6606458E+4 -2.6768226E+2 2.3626982E+6
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Ag+ + 1.000NO3- = AgNO3
|
|
-llnl_gamma 3.4
|
|
log_k -0.251
|
|
delta_h -3.135 #kJ/mol #97sve/sho
|
|
-analytic 7.2343138E+2 1.0880051E-1 -4.1228559E+4 -2.6135699E+2 2.5664556E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Ag+ + 1.000H2O = AgO- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -24.006
|
|
delta_h 111.633 #kJ/mol #97asho/sas
|
|
-analytic -5.2357464E+2 -8.9983563E-2 2.3207407E+4 1.8971913E+2 -1.8568625E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ag+ + 1.000H2O = AgOH + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -11.898
|
|
delta_h 49.628 #kJ/mol #01aki/zot
|
|
-analytic 7.5445166E+1 5.7286823E-3 -6.1926939E+3 -2.7927969E+1 7.3375436E+4
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Al+3 + 2.000H2O = Al(OH)2+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -10.589
|
|
delta_h 111.289 #kJ/mol #Internal calculation
|
|
-analytic 2.5630181E+2 4.7243422E-2 -1.8938185E+4 -9.1587637E+1 8.1513615E+5
|
|
#References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 95pok/hel; V°: 95pok/hel;
|
|
|
|
1.000Al+3 + 1.000H2AsO4- = AlAsO4 + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -8.064
|
|
delta_h 65.458 #kJ/mol #Internal calculation
|
|
-analytic 8.0778909E+2 1.3844179E-1 -4.1721382E+4 -2.9797614E+2 1.7892139E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Al+3 + 1.000F- = AlF+2
|
|
-llnl_gamma 5.7
|
|
log_k 6.980
|
|
delta_h -0.345 #kJ/mol #Internal calculation
|
|
-analytic 8.4659791E+2 1.3829112E-1 -4.6152597E+4 -3.0616676E+2 2.8034192E+6
|
|
#References = LogK/DGf: 01tag/sch; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 01tag/sch; V°: 01tag/sch;
|
|
|
|
1.000Al+3 + 2.000F- = AlF2+
|
|
-llnl_gamma 4.1
|
|
log_k 12.500
|
|
delta_h 0.420 #kJ/mol #Internal calculation
|
|
-analytic 1.7120283E+3 2.7760279E-1 -9.3607268E+4 -6.1919505E+2 5.6734062E+6
|
|
#References = LogK/DGf: 01tag/sch; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 01tag/sch; V°: 01tag/sch;
|
|
|
|
1.000Al+3 + 3.000F- = AlF3
|
|
-llnl_gamma 3.4
|
|
log_k 16.550
|
|
delta_h 0.615 #kJ/mol #Internal calculation
|
|
-analytic 2.5654528E+3 4.1576045E-1 -1.4010996E+5 -9.2872848E+2 8.457982E+6
|
|
#References = LogK/DGf: 01tag/sch; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 01tag/sch; V°: 01tag/sch;
|
|
|
|
1.000Al+3 + 4.000F- = AlF4-
|
|
-llnl_gamma 3.6
|
|
log_k 18.930
|
|
delta_h 0.824 #kJ/mol #Internal calculation
|
|
-analytic 2.6280395E+3 4.2423282E-1 -1.4521917E+5 -9.4932183E+2 8.9344986E+6
|
|
#References = LogK/DGf: 01tag/sch; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 01tag/sch; V°: 01tag/sch;
|
|
|
|
1.000Al+3 + 1.000H2AsO3- = AlH2AsO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 7.164
|
|
delta_h -48.031 #kJ/mol #Internal calculation
|
|
-analytic 6.4522251E+2 9.4796064E-2 -3.1633531E+4 -2.3465209E+2 1.8141864E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Al+3 + 1.000H2AsO4- = AlH2AsO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 2.506
|
|
delta_h -19.575 #kJ/mol #Internal calculation
|
|
-analytic 8.4061558E+2 1.2760548E-1 -4.602608E+4 -3.0453974E+2 2.825133E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Al+3 + 1.000H2PO4- = AlH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 3.098
|
|
#References = LogK/DGf: 79lan;
|
|
#References = LogK/DGf: 79lan; V°: Default value;
|
|
|
|
1.000Al+3 + 1.000H4SiO4 = AlH3SiO4+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -2.380
|
|
delta_h 77.382 #kJ/mol #Internal calculation
|
|
-analytic -3.3132499E+2 -1.8245217E-2 2.6363639E+4 1.1136446E+2 -2.6315445E+6
|
|
#References = LogK/DGf: 01tag/sch, d'apres 98sal/pok; DHf/DHr: Internal calculation; S°: 01tag/sch, d'apres 98sal/pok; Cp: 01tag/sch, d'apres 98sal/pok; V°: 01tag/sch, d'apres 98sal/pok;
|
|
|
|
1.000Al+3 + 1.000H2AsO4- = AlHAsO4+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -0.495
|
|
delta_h 11.152 #kJ/mol #Internal calculation
|
|
-analytic 7.51768E+2 1.1972157E-1 -3.8060438E+4 -2.7529241E+2 1.857061E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Al+3 + 1.000H2PO4- = AlHPO4+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k 0.188
|
|
#References = LogK/DGf: 79lan;
|
|
#References = LogK/DGf: 79lan; V°: Default value;
|
|
|
|
1.000Al+3 + 2.000H2O = AlO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -22.869
|
|
delta_h 180.864 #kJ/mol #Internal calculation
|
|
-analytic -2.201906E+2 -3.328066E-2 4.1155923E+3 8.2151617E+1 -8.7459815E+5
|
|
#References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 95pok/hel; Cp: 95pok/hel; V°: 95pok/hel;
|
|
|
|
1.000Al+3 + 1.000H2O = AlOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -4.950
|
|
delta_h 49.758 #kJ/mol #Internal calculation
|
|
-analytic 1.3920886E+2 2.6837086E-2 -1.0311531E+4 -4.9976575E+1 5.4125401E+5
|
|
#References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 95pok/hel; Cp: 95pok/hel; V°: 95pok/hel;
|
|
|
|
1.000Al+3 + 1.000SO4-2 = AlSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.170
|
|
delta_h 18.869 #kJ/mol #Internal calculation
|
|
-analytic 2.319305E+3 3.6143096E-1 -1.3493543E+5 -8.3585849E+2 8.6188682E+6
|
|
#References = LogK/DGf: 01tag/sch; DHf/DHr: Internal calculation; S°: 01tag/sch; Cp: 01tag/sch; V°: 01tag/sch;
|
|
|
|
1.000H2AsO3- + 1.000H+ = As(OH)3
|
|
-llnl_gamma 3.4
|
|
log_k 9.256
|
|
delta_h -28.176 #kJ/mol #Internal calculation
|
|
-analytic 1.4914569E+1 1.5860162E-2 4.9992557E+3 -8.7542089E+0 -4.8834429E+5
|
|
#References = LogK/DGf: 08per/pok; DHf/DHr: Internal calculation; S°: 08per/pok; Cp: 08per/pok; V°: 08per/pok;
|
|
|
|
1.000H2AsO4- + 1.000H+ = AsO(OH)3
|
|
-llnl_gamma 3.4
|
|
log_k 2.302
|
|
delta_h 11.049 #kJ/mol #08per/pok
|
|
-analytic 1.6315756E+2 4.0730166E-2 -7.354295E+3 -6.1578557E+1 3.5904024E+5
|
|
#References = LogK/DGf: 08per/pok; DHf/DHr: 08per/pok; S°: Internal calculation; Cp: 08per/pok; V°: 08per/pok;
|
|
|
|
1.000H2AsO4- = AsO4-3 + 2.000H+
|
|
-llnl_gamma 6.7
|
|
log_k -18.460
|
|
delta_h 21.914 #kJ/mol #Internal calculation
|
|
-analytic -1.5040938E+3 -2.4299666E-1 8.2186503E+4 5.4182244E+2 -5.1803474E+6
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Au+ + 2.000HS- = Au(HS)2-
|
|
-llnl_gamma 3.6
|
|
log_k 31.536
|
|
delta_h -167.409 #kJ/mol #01aki/zot
|
|
-analytic 9.7482705E+2 1.4920336E-1 -4.5421808E+4 -3.5238847E+2 3.2474545E+6
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Au+ + 2.000H2O = Au(OH)2- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -5.719
|
|
delta_h -13.559 #kJ/mol #01aki/zot
|
|
-analytic -3.9162935E+2 -6.8812553E-2 2.3233854E+4 1.3988933E+2 -1.5686842E+6
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Au+ + 1.000Cl- = AuCl
|
|
-llnl_gamma 3.4
|
|
log_k 7.933
|
|
delta_h -30.688 #kJ/mol #01aki/zot
|
|
-analytic 6.4840803E+2 1.0323678E-1 -3.2991689E+4 -2.3553665E+2 1.9751493E+6
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Au+ + 2.000Cl- = AuCl2-
|
|
-llnl_gamma 3.6
|
|
log_k 9.581
|
|
delta_h -50.195 #kJ/mol #01aki/zot
|
|
-analytic 4.850177E+2 9.8333461E-2 -2.0375966E+4 -1.8189895E+2 1.2163974E+6
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Au+ + 3.000Cl- = AuCl3-2
|
|
-llnl_gamma 4.7
|
|
log_k 9.328
|
|
delta_h -47.873 #kJ/mol #97sve/sho
|
|
-analytic 8.3327508E+2 1.3522766E-1 -4.3093387E+4 -3.0328357E+2 2.7313161E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Au+3 + 4.000Cl- = AuCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -41.913
|
|
delta_h 199.282 #kJ/mol #97sve/sho
|
|
-analytic 2.3945195E+3 3.9162328E-1 -1.4143708E+5 -8.7562963E+2 7.8115699E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Au+ + 1.000HS- = AuHS
|
|
-llnl_gamma 3.4
|
|
log_k 26.016
|
|
delta_h -134.682 #kJ/mol #01aki/zot
|
|
-analytic 8.1512795E+2 1.1760872E-1 -3.8667927E+4 -2.9300531E+2 2.7146552E+6
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Au+ + 1.000H2O = AuOH + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k 11.023
|
|
delta_h -77.054 #kJ/mol #01aki/zot
|
|
-analytic 3.6025163E+1 9.9488644E-4 2.6883304E+3 -1.3635646E+1 -5.108398E+4
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000B(OH)3 + 1.000H2O = B(OH)4- + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -9.241
|
|
delta_h 14.069 #kJ/mol #95pok/sch
|
|
-analytic -5.1942755E+2 -7.8475735E-2 2.9291607E+4 1.8479529E+2 -1.948959E+6
|
|
#References = LogK/DGf: 95pok/sch; DHf/DHr: Internal calculation; S°: 95pok/sch; Cp: 95pok/sch; V°: 95pok/sch;
|
|
|
|
1.000Ba+2 + 1.000HCO3- = Ba(HCO3)+
|
|
-llnl_gamma 4.1
|
|
log_k 1.034
|
|
delta_h 20.309 #kJ/mol #95sho/kor
|
|
-analytic 9.2777449E+2 1.4836503E-1 -5.2385571E+4 -3.3565095E+2 3.1355311E+6
|
|
#References = LogK/DGf: 95sho/kor; DHf/DHr: Internal calculation; S°: 95sho/kor; Cp: 95sho/kor; V°: 95sho/kor;
|
|
|
|
1.000Ba+2 + 1.000Cl- = BaCl+
|
|
-llnl_gamma 4.1
|
|
log_k -0.485
|
|
delta_h 12.964 #kJ/mol #97sve/sho
|
|
-analytic 8.0870585E+2 1.3328755E-1 -4.4762936E+4 -2.9445868E+2 2.6511313E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Ba+2 + 1.000HCO3- = BaCO3 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -7.667
|
|
delta_h 31.514 #kJ/mol #97sve/sho
|
|
-analytic 6.6880501E+2 1.1124394E-1 -3.5057488E+4 -2.4693207E+2 1.685557E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Ba+2 + 1.000F- = BaF+
|
|
-llnl_gamma 4.1
|
|
log_k -0.143
|
|
delta_h 8.925 #kJ/mol #97sve/sho
|
|
-analytic 8.2520786E+2 1.3421019E-1 -4.5845176E+4 -3.0007594E+2 2.7483851E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO3- + 1.000Ba+2 = BaH2AsO3+
|
|
-llnl_gamma 4.1
|
|
log_k 1.463
|
|
delta_h 0.131 #kJ/mol #Internal calculation
|
|
-analytic 5.5629609E+2 9.1454897E-2 -2.804701E+4 -2.0384441E+2 1.4551449E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Ba+2 + 1.000H2O = BaOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -13.493
|
|
delta_h 87.599 #kJ/mol #97asho/sas
|
|
-analytic 1.0781515E+2 1.7652517E-2 -8.3667656E+3 -3.9933627E+1 2.7062118E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Be+2 + 1.000Cl- = BeCl+
|
|
-llnl_gamma 4.1
|
|
log_k -4.835
|
|
delta_h 165.918 #kJ/mol #97sve/sho
|
|
-analytic 1.4310169E+3 2.2804961E-1 -8.534077E+4 -5.1275703E+2 4.5489828E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Be+2 + 2.000Cl- = BeCl2
|
|
-llnl_gamma 3.4
|
|
log_k -5.683
|
|
delta_h 201.449 #kJ/mol #97sve/sho
|
|
-analytic 1.6810887E+3 2.6952517E-1 -1.0259965E+5 -6.0096776E+2 5.6932583E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Be+2 + 1.000F- = BeF+
|
|
-llnl_gamma 4.1
|
|
log_k 0.482
|
|
delta_h 115.257 #kJ/mol #97sve/sho
|
|
-analytic 1.2125467E+3 1.9395718E-1 -7.1425686E+4 -4.3427761E+2 3.9345435E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Be+2 + 2.000F- = BeF2
|
|
-llnl_gamma 3.4
|
|
log_k 4.592
|
|
delta_h 111.529 #kJ/mol #97sve/sho
|
|
-analytic 1.8333684E+3 2.924234E-1 -1.0683969E+5 -6.5781928E+2 6.2323653E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Be+2 + 3.000F- = BeF3-1
|
|
-llnl_gamma 3.6
|
|
log_k 7.422
|
|
delta_h 140.733 #kJ/mol #97sve/sho
|
|
-analytic 2.6366207E+3 4.1788361E-1 -1.5336719E+5 -9.4609783E+2 9.0371208E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Be+2 + 4.000F- = BeF4-2
|
|
-llnl_gamma 4.7
|
|
log_k 8.062
|
|
delta_h 247.651 #kJ/mol #97sve/sho
|
|
-analytic 3.2813391E+3 5.1722122E-1 -1.9459206E+5 -1.1727283E+3 1.1291049E+7
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Be+2 + 1.000H2O = BeO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -13.654
|
|
delta_h 65.815 #kJ/mol #97asho/sas
|
|
-analytic 2.9000509E+2 4.7787226E-2 -1.8436811E+4 -1.0712824E+2 8.0113952E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Be+2 + 2.000H2O = BeO2-2 + 4.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -37.387
|
|
delta_h 160.594 #kJ/mol #97asho/sas
|
|
-analytic -1.0015937E+3 -1.6503403E-1 4.4781085E+4 3.6295197E+2 -3.1011135E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Be+2 + 1.000H2O = BeOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -5.371
|
|
delta_h 27.518 #kJ/mol #97asho/sas
|
|
-analytic 1.9780606E+2 2.9707874E-2 -1.3106122E+4 -7.1362992E+1 7.5618923E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000B(OH)3 + 4.000F- + 3.000H+ = BF4- + 3.000H2O
|
|
-llnl_gamma 3.6
|
|
log_k 18.142
|
|
delta_h -19.282 #kJ/mol #88sho/hel
|
|
-analytic 2.4399612E+3 3.8653494E-1 -1.3327937E+5 -8.8156088E+2 8.1178407E+6
|
|
#References = LogK/DGf: 88sho/hel; DHf/DHr: Internal calculation; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel;
|
|
|
|
1.000Bi+3 + 1.000H2O = BiO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -3.297
|
|
delta_h 77.925 #kJ/mol #97asho/sas
|
|
-analytic 1.445759E+2 2.3387314E-2 -4.953225E+3 -5.3188032E+1 -5.8864951E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Bi+3 + 2.000H2O = BiO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -21.092
|
|
delta_h 191.082 #kJ/mol #97asho/sas
|
|
-analytic -2.4857743E+2 -4.4493069E-2 1.2352389E+4 9.044737E+1 -2.1765857E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Bi+3 + 1.000H2O = BiOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -1.098
|
|
delta_h 17.221 #kJ/mol #97asho/sas
|
|
-analytic 9.2143326E+1 1.3281577E-2 -3.8937906E+3 -3.3858426E+1 -3.205222E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000HCO3- + 1.000Ca+2 = Ca(HCO3)+
|
|
-llnl_gamma 4.1
|
|
log_k 1.103
|
|
delta_h -8.895 #kJ/mol #Internal calculation
|
|
-analytic 8.6860873E+2 1.45834E-1 -4.8281447E+4 -3.1673255E+2 3.0832388E+6
|
|
#References = LogK/DGf: 82plu/bus; DHf/DHr: Internal calculation; S°: 99aki/zot; Cp: 99aki/zot; V°: 99aki/zot;
|
|
|
|
1.000H2AsO4- + 1.000Ca+2 = CaAsO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -14.839
|
|
delta_h 113.307 #kJ/mol #Internal calculation
|
|
-analytic 2.5836744E+2 3.8536457E-2 -1.5534129E+4 -9.4531204E+1 1.1707145E+5
|
|
#References = LogK/DGf: 95mir/kis; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Ca+2 + 1.000Cl- = CaCl+
|
|
-llnl_gamma 4.1
|
|
log_k -0.290
|
|
delta_h 7.149 #kJ/mol #Internal calculation
|
|
-analytic 7.8430407E+2 1.2981085E-1 -4.3492573E+4 -2.8572525E+2 2.630012E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Ca+2 + 2.000Cl- = CaCl2
|
|
-llnl_gamma 3.4
|
|
log_k -0.640
|
|
delta_h -5.857 #kJ/mol #Internal calculation
|
|
-analytic 1.5621171E+3 2.5579554E-1 -8.5801168E+4 -5.6981877E+2 5.2211876E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000HCO3- + 1.000Ca+2 = CaCO3 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -7.107
|
|
delta_h 29.530 #kJ/mol #82plu/bus
|
|
-analytic 6.9543261E+2 1.1632984E-1 -3.6152513E+4 -2.568442E+2 1.7402671E+6
|
|
#References = LogK/DGf: 82plu/bus; DHf/DHr: 82plu/bus; S°: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Ca+2 + 1.000CrO4-2 = CaCrO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.770
|
|
#References = LogK/DGf: 00per/pal;
|
|
#References = LogK/DGf: 00per/pal; V°: Default value;
|
|
|
|
1.000Ca+2 + 1.000F- = CaF+
|
|
-llnl_gamma 4.1
|
|
log_k 0.719
|
|
delta_h 5.541 #kJ/mol #97sve/sho
|
|
-analytic 8.511268E+2 1.3865709E-1 -4.774151E+4 -3.0905513E+2 2.9436051E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO3- + 1.000Ca+2 = CaH2AsO3+
|
|
-llnl_gamma 4.1
|
|
log_k 1.745
|
|
#References = LogK/DGf: 07mar/acc;
|
|
#References = LogK/DGf: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Ca+2 = CaH2AsO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.398
|
|
delta_h -3.075 #kJ/mol #Internal calculation
|
|
-analytic 8.1838841E+2 1.309467E-1 -4.5283812E+4 -2.9716999E+2 2.771532E+6
|
|
#References = LogK/DGf: 95mir/kis; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Ca+2 + 1.000H2PO4- = CaH2PO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.500
|
|
delta_h 7.776 #kJ/mol #Internal calculation
|
|
-analytic 9.219915E+2 1.4456366E-1 -4.9725452E+4 -3.3475874E+2 2.8024104E+6
|
|
#References = LogK/DGf: 68chu/mar; DHf/DHr: Internal calculation; S°: 68chu/mar; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Ca+2 = CaHAsO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.080
|
|
delta_h 9.480 #kJ/mol #Internal calculation
|
|
-analytic 8.5055958E+2 1.3673788E-1 -4.5214171E+4 -3.1174335E+2 2.4561239E+6
|
|
#References = LogK/DGf: 95mir/kis; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Ca+2 + 1.000H2PO4- = CaHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.370
|
|
delta_h 17.564 #kJ/mol #Internal calculation
|
|
-analytic 9.1783632E+2 1.4456366E-1 -5.0236726E+4 -3.3475874E+2 2.8024104E+6
|
|
#References = LogK/DGf: 68chu/mar; DHf/DHr: Internal calculation; S°: 68chu/mar; V°: Default value;
|
|
|
|
1.000Ca+2 + 1.000H2O = CaOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -12.780
|
|
delta_h 77.206 #kJ/mol #Internal calculation
|
|
-analytic 1.0904956E+2 1.8070217E-2 -8.9956024E+3 -4.0146268E+1 2.0390791E+5
|
|
#References = LogK/DGf: 87gar/par; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ca+2 + 2.000H2PO4- = CaP2O7-2 + 1.000H2O + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -11.010
|
|
#References = LogK/DGf: 76smi/mar;
|
|
#References = LogK/DGf: 76smi/mar; V°: Default value;
|
|
|
|
1.000Ca+2 + 1.000H2PO4- = CaPO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -13.110
|
|
delta_h 38.532 #kJ/mol #Internal calculation
|
|
-analytic 1.027777E+3 1.6138795E-1 -5.7688683E+4 -3.7631837E+2 3.1698751E+6
|
|
#References = LogK/DGf: 68chu/mar; DHf/DHr: Internal calculation; S°: 68chu/mar; V°: Default value;
|
|
|
|
1.000Ca+2 + 1.000SO4-2 = CaSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.310
|
|
delta_h 4.292 #kJ/mol #Internal calculation
|
|
-analytic 1.7203418E+3 2.6573499E-1 -9.4255356E+4 -6.2356388E+2 5.4972996E+6
|
|
#References = LogK/DGf: 53bell/geo; DHf/DHr: Internal calculation; S°: 97sve/sho; V°: Default value;
|
|
|
|
2.000HCO3- + 1.000Cd+2 = Cd(CO3)2-2 + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -14.154
|
|
#References = LogK/DGf: 91rai/fel;
|
|
#References = LogK/DGf: 91rai/fel; V°: Default value;
|
|
|
|
1.000Cd+2 + 1.000H2PO4- = Cd(H2PO4)+
|
|
-llnl_gamma 4.1
|
|
log_k 1.800
|
|
#References = LogK/DGf: 01aya/mad;
|
|
#References = LogK/DGf: 01aya/mad; V°: Default value;
|
|
|
|
1.000Cd+2 + 2.000HS- = Cd(HS)2
|
|
-llnl_gamma 3.4
|
|
log_k 14.430
|
|
#References = LogK/DGf: 99wan/tes;
|
|
#References = LogK/DGf: 99wan/tes; V°: Default value;
|
|
|
|
1.000Cd+2 + 2.000SO4-2 = Cd(SO4)2-2
|
|
-llnl_gamma 4.7
|
|
log_k 3.440
|
|
#References = LogK/DGf: 76smi/mar;
|
|
#References = LogK/DGf: 76smi/mar; V°: Default value;
|
|
|
|
2.000Cd+2 + 1.000H2O = Cd2OH+3 + 1.000H+
|
|
-llnl_gamma 8.2
|
|
log_k -9.389
|
|
delta_h 49.083 #kJ/mol #06bla/pia
|
|
-analytic 6.2345763E+2 9.4643708E-2 -3.5465811E+4 -2.27146E+2 1.7730814E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 06bla/pia; V°: Default value;
|
|
|
|
4.000Cd+2 + 4.000H2O = Cd4(OH)4+4 + 4.000H+
|
|
-llnl_gamma 11.6
|
|
log_k -32.071
|
|
delta_h 172.135 #kJ/mol #99yun/glu
|
|
-analytic 1.2576276E+3 1.8305398E-1 -7.4901342E+4 -4.5729405E+2 3.4213692E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 99yun/glu; S°: 99yun/glu; V°: Default value;
|
|
|
|
1.000Cd+2 + 1.000Cl- = CdCl+
|
|
-llnl_gamma 4.2
|
|
log_k 1.970
|
|
delta_h -5.521 #kJ/mol #Internal calculation
|
|
-analytic 8.0941374E+2 1.3169372E-1 -4.4807639E+4 -2.9412307E+2 2.7882048E+6
|
|
#References = LogK/DGf: 76smi/mar; DHf/DHr: Internal calculation; S°: 97cro; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cd+2 + 2.000Cl- = CdCl2
|
|
-llnl_gamma 3.4
|
|
log_k 2.590
|
|
delta_h -13.968 #kJ/mol #Internal calculation
|
|
-analytic 1.6082242E+3 2.6110472E-1 -8.8757332E+4 -5.8505711E+2 5.5022038E+6
|
|
#References = LogK/DGf: 76smi/mar; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cd+2 + 3.000Cl- = CdCl3-
|
|
-llnl_gamma 3.6
|
|
log_k 2.400
|
|
delta_h -29.073 #kJ/mol #Internal calculation
|
|
-analytic 1.6306008E+3 2.6642831E-1 -9.1424911E+4 -5.9316313E+2 5.9334367E+6
|
|
#References = LogK/DGf: 76smi/mar; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cd+2 + 4.000Cl- = CdCl4-2
|
|
-llnl_gamma 4.7
|
|
log_k 1.470
|
|
delta_h -44.766 #kJ/mol #Internal calculation
|
|
-analytic 1.6152997E+3 2.6481815E-1 -9.1924992E+4 -5.877622E+2 6.2147176E+6
|
|
#References = LogK/DGf: 76smi/mar; DHf/DHr: Internal calculation; S°: 97cro; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000HCO3- + 1.000Cd+2 = CdCO3 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -5.627
|
|
delta_h 19.000 #kJ/mol #Internal calculation
|
|
-analytic 9.2947675E+2 1.4440906E-1 -5.1233932E+4 -3.3885829E+2 2.8590686E+6
|
|
#References = LogK/DGf: 91rai/fel; DHf/DHr: Internal calculation; S°: 97sve/sho; V°: Default value;
|
|
|
|
1.000Cd+2 + 1.000F- = CdF+
|
|
-llnl_gamma 4.1
|
|
log_k 1.106
|
|
delta_h 3.153 #kJ/mol #97sve/sho
|
|
-analytic 8.6861121E+2 1.3907226E-1 -4.8793251E+4 -3.1489979E+2 3.0119464E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cd+2 + 2.000F- = CdF2
|
|
-llnl_gamma 3.4
|
|
log_k 1.476
|
|
delta_h -8.083 #kJ/mol #97sve/sho
|
|
-analytic 1.7659009E+3 2.8400307E-1 -9.8001744E+4 -6.4190901E+2 6.0413169E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000HCO3- + 1.000Cd+2 = CdHCO3+
|
|
-llnl_gamma 4.1
|
|
log_k 1.503
|
|
#References = LogK/DGf: 92sti/par;
|
|
#References = LogK/DGf: 92sti/par; V°: Default value;
|
|
|
|
1.000Cd+2 + 1.000H2PO4- = CdHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -2.380
|
|
#References = LogK/DGf: 01aya/mad;
|
|
#References = LogK/DGf: 01aya/mad; V°: Default value;
|
|
|
|
1.000Cd+2 + 1.000HS- = CdHS+
|
|
-llnl_gamma 4.1
|
|
log_k 7.380
|
|
#References = LogK/DGf: 99wan/tes;
|
|
#References = LogK/DGf: 99wan/tes; V°: Default value;
|
|
|
|
1.000Cd+2 + 1.000H2O = CdO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -20.900
|
|
delta_h 114.907 #kJ/mol #Internal calculation
|
|
-analytic 2.3135612E+2 3.6942545E-2 -1.6677979E+4 -8.5723264E+1 4.2532116E+5
|
|
#References = LogK/DGf: 91rai/fel; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cd+2 + 2.000H2O = CdO2-2 + 4.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -47.479
|
|
delta_h 225.687 #kJ/mol #Internal calculation
|
|
-analytic -1.0618124E+3 -1.7572641E-1 4.7146387E+4 3.8400479E+2 -3.6978536E+6
|
|
#References = LogK/DGf: 91rai/fel; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cd+2 + 1.000H2O = CdOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -10.080
|
|
delta_h 54.808 #kJ/mol #Internal calculation
|
|
-analytic 1.628427E+2 2.3823902E-2 -1.1685009E+4 -5.9139489E+1 4.8918436E+5
|
|
#References = LogK/DGf: 81bae/mes; DHf/DHr: Internal calculation; S°: 81bae/mes; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cd+2 + 2.000H2PO4- = CdP2O7-2 + 1.000H2O + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -9.110
|
|
#References = LogK/DGf: 06bla/pia;
|
|
#References = LogK/DGf: 06bla/pia; V°: Default value;
|
|
|
|
1.000Cd+2 + 1.000S2O3-2 = CdS2O3
|
|
-llnl_gamma 3.4
|
|
log_k 2.459
|
|
delta_h 5.405 #kJ/mol #74nau/ryz
|
|
-analytic 1.6514935E+3 2.5979507E-1 -9.0543449E+4 -5.992176E+2 5.3262174E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; V°: Default value;
|
|
|
|
1.000Cd+2 + 1.000SO4-2 = CdSO4
|
|
-llnl_gamma 3.4
|
|
log_k 3.440
|
|
delta_h 8.700 #kJ/mol #97smi/mar
|
|
-analytic 1.7076121E+3 2.6709472E-1 -9.4180843E+4 -6.1854455E+2 5.5670231E+6
|
|
#References = LogK/DGf: 76smi/mar; DHf/DHr: 97smi/mar; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Br- + 1.000Ce+3 = CeBr+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.380
|
|
delta_h 3.059 #kJ/mol #95haa/sho
|
|
-analytic 8.2693636E+2 1.3442496E-1 -4.6674351E+4 -3.0023838E+2 2.9184929E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 1.000Cl- = CeCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.321
|
|
delta_h 14.848 #kJ/mol #95haa/sho
|
|
-analytic 8.3468922E+2 1.3664559E-1 -4.7387513E+4 -3.0268064E+2 2.9150813E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 2.000Cl- = CeCl2+
|
|
-llnl_gamma 4.1
|
|
log_k 0.056
|
|
delta_h 20.694 #kJ/mol #95haa/sho
|
|
-analytic 1.5937584E+3 2.5971342E-1 -8.8187389E+4 -5.7961729E+2 5.2332427E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 3.000Cl- = CeCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.356
|
|
delta_h 15.775 #kJ/mol #95haa/sho
|
|
-analytic 2.2998676E+3 3.7318479E-1 -1.2390763E+5 -8.3884602E+2 7.0909611E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 4.000Cl- = CeCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.695
|
|
delta_h -2.036 #kJ/mol #95haa/sho
|
|
-analytic 1.7735343E+3 2.9974977E-1 -9.0032573E+4 -6.5292579E+2 4.7996758E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 1.000ClO4- = CeClO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.910
|
|
delta_h -49.621 #kJ/mol #95haa/sho
|
|
-analytic 7.9640266E+2 1.2548206E-1 -4.4858634E+4 -2.8969731E+2 3.1458296E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Ce+3 = CeCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.912
|
|
delta_h -2.239 #kJ/mol #95haa/sho
|
|
-analytic 8.900406E+2 1.3994824E-1 -4.6675453E+4 -3.2598063E+2 2.5325842E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 1.000F- = CeF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.262
|
|
delta_h 23.074 #kJ/mol #95haa/sho
|
|
-analytic 9.2556754E+2 1.495782E-1 -5.2486689E+4 -3.3368596E+2 3.1844299E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 2.000F- = CeF2+
|
|
-llnl_gamma 4.1
|
|
log_k 7.351
|
|
delta_h 14.795 #kJ/mol #95haa/sho
|
|
-analytic 1.7515384E+3 2.8132984E-1 -9.6528041E+4 -6.3411697E+2 5.7577969E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 3.000F- = CeF3
|
|
-llnl_gamma 3.4
|
|
log_k 9.634
|
|
delta_h -6.097 #kJ/mol #95haa/sho
|
|
-analytic 2.5476562E+3 4.0837596E-1 -1.3652068E+5 -9.2590071E+2 7.9287519E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 4.000F- = CeF4-
|
|
-llnl_gamma 3.6
|
|
log_k 11.550
|
|
delta_h -45.853 #kJ/mol #95haa/sho
|
|
-analytic 2.5036212E+3 3.9604127E-1 -1.3084986E+5 -9.1159773E+2 7.5035754E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 1.000H2PO4- = CeH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.256
|
|
delta_h -5.935 #kJ/mol #95haa/sho
|
|
-analytic 8.6782366E+2 1.3880304E-1 -4.9895403E+4 -3.1412249E+2 3.2600989E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Ce+3 = CeHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.936
|
|
delta_h 8.888 #kJ/mol #95haa/sho
|
|
-analytic 8.8257868E+2 1.4152151E-1 -5.1013523E+4 -3.1862458E+2 3.2604524E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 1.000IO3- = CeIO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.900
|
|
delta_h -21.162 #kJ/mol #95haa/sho
|
|
-analytic 8.2463979E+2 1.3171152E-1 -4.6619856E+4 -2.9919678E+2 3.0843409E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 1.000NO3- = CeNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.655
|
|
delta_h -26.590 #kJ/mol #95haa/sho
|
|
-analytic 7.961294E+2 1.2675899E-1 -4.5076893E+4 -2.8938314E+2 3.0206291E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 1.000H2O = CeO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -16.403
|
|
delta_h 150.615 #kJ/mol #95haa/sho
|
|
-analytic 2.2624881E+2 3.6751286E-2 -1.6043729E+4 -8.1353512E+1 1.3386529E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 2.000H2O = CeO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -38.743
|
|
delta_h 288.714 #kJ/mol #95haa/sho
|
|
-analytic -1.9736395E+2 -3.5045743E-2 1.3767915E+3 7.3297946E+1 -1.5039715E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 2.000H2O = CeO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -26.135
|
|
delta_h 229.099 #kJ/mol #95haa/sho
|
|
-analytic 2.0342286E+2 2.9017729E-2 -1.5131397E+4 -7.3209053E+1 -5.6071551E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 1.000H2O = CeOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -8.413
|
|
delta_h 84.925 #kJ/mol #95haa/sho
|
|
-analytic 1.6731019E+2 2.5871778E-2 -1.2481279E+4 -5.9044799E+1 4.0251243E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ce+3 + 1.000SO4-2 = CeSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.723
|
|
delta_h 18.642 #kJ/mol #95haa/sho
|
|
-analytic 1.647675E+3 2.6134652E-1 -8.9772115E+4 -5.9763452E+2 5.1586651E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 4.000F- + 5.000H+ = CF4 + 3.000H2O
|
|
-llnl_gamma 3.4
|
|
log_k -26.879
|
|
delta_h 243.525 #kJ/mol #01sch/sho
|
|
-analytic 3.822632E+3 6.0844151E-1 -2.2748636E+5 -1.3816038E+3 1.3401898E+7
|
|
#References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho;
|
|
|
|
1.000Co+2 + 2.000HS- = Co(HS)2
|
|
-llnl_gamma 3.4
|
|
log_k 8.770
|
|
#References = LogK/DGf: 74nau/ryz;
|
|
#References = LogK/DGf: 74nau/ryz; V°: Default value;
|
|
|
|
1.000HCO3- + 1.000H+ = CO2 + 1.000H2O
|
|
-CO2_llnl_gamma
|
|
log_k 6.353
|
|
delta_h -9.160 #kJ/mol #89cox/wag
|
|
-analytic 7.0323452E+2 1.1751607E-1 -3.9289514E+4 -2.5424663E+2 2.5757273E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
|
|
|
|
2.000Co+2 + 1.000H2O = Co2OH+3 + 1.000H+
|
|
-llnl_gamma 8.2
|
|
log_k -9.830
|
|
delta_h 30.030 #kJ/mol #98ply/zha
|
|
-analytic 6.5887348E+2 1.0286735E-1 -3.6579148E+4 -2.41762E+2 1.914615E+6
|
|
#References = LogK/DGf: 98ply/zha; DHf/DHr: 98ply/zha; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000HCO3- = CO3-2 + 1.000H+
|
|
-llnl_gamma 4.5
|
|
log_k -10.327
|
|
delta_h 14.700 #kJ/mol #89cox/wag
|
|
-analytic -7.7058363E+2 -1.2433524E-1 4.2038783E+4 2.7739481E+2 -2.6727365E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
4.000Co+2 + 4.000H2O = Co4(OH)4+4 + 4.000H+
|
|
-llnl_gamma 11.6
|
|
log_k -29.879
|
|
delta_h 149.720 #kJ/mol #98ply/zha
|
|
-analytic 1.334282E+3 1.9950128E-1 -7.7947699E+4 -4.8652605E+2 3.7044363E+6
|
|
#References = LogK/DGf: 98ply/zha; DHf/DHr: 98ply/zha; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Co+2 = CoAsO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -11.805
|
|
delta_h 86.431 #kJ/mol #Internal calculation
|
|
-analytic 2.394843E+2 3.2348517E-2 -1.356988E+4 -8.7461179E+1 8.8585346E+4
|
|
#References = LogK/DGf: 95mir/kis; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Cl- + 1.000Co+2 = CoCl+
|
|
-llnl_gamma 4.1
|
|
log_k 0.570
|
|
delta_h -2.167 #kJ/mol #Internal calculation
|
|
-analytic 8.0574795E+2 1.3135618E-1 -4.4524256E+4 -2.9329178E+2 2.7312211E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
2.000Cl- + 1.000Co+2 = CoCl2
|
|
-llnl_gamma 3.4
|
|
log_k 0.020
|
|
delta_h 4.070 #kJ/mol #89pan/sus
|
|
-analytic 1.7082442E+3 2.5831875E-1 -9.2266579E+4 -6.1993113E+2 5.1736747E+6
|
|
#References = LogK/DGf: 89pan/sus; DHf/DHr: 89pan/sus; S°: Internal calculation; V°: Default value;
|
|
|
|
3.000Cl- + 1.000Co+2 = CoCl3-
|
|
-llnl_gamma 3.6
|
|
log_k -1.710
|
|
delta_h 6.690 #kJ/mol #89pan/sus
|
|
-analytic 2.3905414E+3 3.6098211E-1 -1.2943697E+5 -8.6786921E+2 7.2662591E+6
|
|
#References = LogK/DGf: 89pan/sus; DHf/DHr: 89pan/sus; S°: Internal calculation; V°: Default value;
|
|
|
|
4.000Cl- + 1.000Co+2 = CoCl4-2
|
|
-llnl_gamma 4.7
|
|
log_k -2.090
|
|
delta_h 22.570 #kJ/mol #89pan/sus
|
|
-analytic 3.1844022E+3 4.6364547E-1 -1.7210282E+5 -1.1528992E+3 9.3588435E+6
|
|
#References = LogK/DGf: 89pan/sus; DHf/DHr: 89pan/sus; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000HCO3- + 1.000Co+2 = CoCO3 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -6.097
|
|
#References = LogK/DGf: 97smi/mar;
|
|
#References = LogK/DGf: 97smi/mar; V°: Default value;
|
|
|
|
1.000Co+2 + 1.000F- = CoF+
|
|
-llnl_gamma 4.1
|
|
log_k 1.500
|
|
delta_h -0.619 #kJ/mol #Internal calculation
|
|
-analytic 8.5095726E+2 1.3786643E-1 -4.6822558E+4 -3.0934134E+2 2.8380526E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO4- + 1.000Co+2 = CoH2AsO4+
|
|
-llnl_gamma 4.1
|
|
log_k 0.068
|
|
delta_h -5.168 #kJ/mol #Internal calculation
|
|
-analytic 8.1774725E+2 1.2785769E-1 -4.5499486E+4 -2.9684896E+2 2.7858819E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Co+2 = CoHAsO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.236
|
|
delta_h 7.924 #kJ/mol #Internal calculation
|
|
-analytic 8.9532258E+2 1.4279332E-1 -4.7685642E+4 -3.2795077E+2 2.6044691E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000HCO3- + 1.000Co+2 = CoHCO3+
|
|
-llnl_gamma 4.1
|
|
log_k 1.893
|
|
#References = LogK/DGf: 97smi/mar;
|
|
#References = LogK/DGf: 97smi/mar; V°: Default value;
|
|
|
|
1.000Co+2 + 1.000H2PO4- = CoHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.150
|
|
#References = LogK/DGf: 97smi/mar;
|
|
#References = LogK/DGf: 97smi/mar; V°: Default value;
|
|
|
|
1.000Co+2 + 1.000HS- = CoHS+
|
|
-llnl_gamma 4.1
|
|
log_k 5.670
|
|
#References = LogK/DGf: 74nau/ryz;
|
|
#References = LogK/DGf: 74nau/ryz; V°: Default value;
|
|
|
|
1.000Co+2 + 1.000H2O = CoO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -18.600
|
|
delta_h 105.706 #kJ/mol #Internal calculation
|
|
-analytic 2.9103455E+2 4.7420593E-2 -2.0159159E+4 -1.0691499E+2 7.4631811E+5
|
|
#References = LogK/DGf: 98ply/zha; DHf/DHr: Internal calculation; S°: 98ply/zha; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Co+2 + 2.000H2O = CoO2-2 + 4.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -46.419
|
|
delta_h 214.484 #kJ/mol #Internal calculation
|
|
-analytic -1.0085439E+3 -1.6628697E-1 4.3266386E+4 3.6508701E+2 -3.2710279E+6
|
|
#References = LogK/DGf: 98ply/zha; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Co+2 + 1.000H2O = CoOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -9.230
|
|
delta_h 45.961 #kJ/mol #Internal calculation
|
|
-analytic 1.9896607E+2 3.0381269E-2 -1.3890784E+4 -7.2250041E+1 7.2128149E+5
|
|
#References = LogK/DGf: 98ply/zha; DHf/DHr: Internal calculation; S°: 06bla/pia; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Co+2 + 1.000S2O3-2 = CoS2O3
|
|
-llnl_gamma 3.4
|
|
log_k 2.050
|
|
#References = LogK/DGf: 51den/mon;
|
|
#References = LogK/DGf: 51den/mon; V°: Default value;
|
|
|
|
1.000Co+2 + 1.000SO4-2 = CoSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.300
|
|
delta_h 2.090 #kJ/mol #97smi/mar
|
|
-analytic 1.7249114E+3 2.7120654E-1 -9.4889872E+4 -6.2585255E+2 5.6377899E+6
|
|
#References = LogK/DGf: 97smi/mar; DHf/DHr: 97smi/mar; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Cr+3 + 1.000H2PO4- + 3.000H2O = Cr(OH)3(H2PO4)- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -4.387
|
|
delta_h 49.800 #kJ/mol #98zie/jon
|
|
-analytic 1.2583773E+3 1.8792529E-1 -6.9148474E+4 -4.5565683E+2 3.6111764E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98zie/jon; S°: 98zie/jon; V°: Default value;
|
|
|
|
1.000Cr+3 + 1.000H2PO4- + 3.000H2O = Cr(OH)3(HPO4)-2 + 4.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -13.271
|
|
delta_h 59.600 #kJ/mol #98zie/jon
|
|
-analytic 1.3662182E+3 2.0474959E-1 -7.6017113E+4 -4.9721646E+2 3.9786411E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98zie/jon; S°: 98zie/jon; V°: Default value;
|
|
|
|
1.000Cr+3 + 1.000H2PO4- + 3.000H2O = Cr(OH)3(PO4)-3 + 5.000H+
|
|
-llnl_gamma 6.7
|
|
log_k -24.578
|
|
delta_h 116.120 #kJ/mol #98zie/jon
|
|
-analytic 1.4798205E+3 2.2157389E-1 -8.5326103E+4 -5.387761E+2 4.3461058E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98zie/jon; S°: 98zie/jon; V°: Default value;
|
|
|
|
1.000Cr+3 + 2.000H2PO4- + 4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4 + 5.000H+
|
|
-llnl_gamma 9.6
|
|
log_k -22.907
|
|
delta_h 53.950 #kJ/mol #98zie/jon
|
|
-analytic 2.2228579E+3 3.3232464E-1 -1.2270758E+5 -8.1133415E+2 6.6055685E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98zie/jon; S°: 98zie/jon; V°: Default value;
|
|
|
|
2.000Cl- + 1.000Cr+3 + 1.000H2O = Cr(OH)Cl2 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -5.730
|
|
delta_h 32.720 #kJ/mol #76del/hep
|
|
-analytic 1.7772105E+3 2.8561797E-1 -9.7804819E+4 -6.4784365E+2 5.5992793E+6
|
|
#References = LogK/DGf: 76del/hep; DHf/DHr: 76del/hep; S°: Internal calculation; V°: Default value;
|
|
|
|
2.000Cr+3 + 2.000H2O = Cr2(OH)2+4 + 2.000H+
|
|
-llnl_gamma 11.6
|
|
log_k -5.000
|
|
#References = LogK/DGf: 87rai/sas;
|
|
#References = LogK/DGf: 87rai/sas; V°: Default value;
|
|
|
|
2.000CrO4-2 + 2.000H+ = Cr2O7-2 + 1.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k 14.750
|
|
delta_h -3.753 #kJ/mol #Internal calculation
|
|
-analytic 1.5883803E+3 2.5464846E-1 -8.7910255E+4 -5.72291E+2 5.4576283E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
3.000Cr+3 + 4.000H2O = Cr3(OH)4+5 + 4.000H+
|
|
-llnl_gamma 15.9
|
|
log_k -10.750
|
|
#References = LogK/DGf: 87rai/sas;
|
|
#References = LogK/DGf: 87rai/sas; V°: Default value;
|
|
|
|
1.000Br- + 1.000Cr+3 = CrBr+2
|
|
-llnl_gamma 5.7
|
|
log_k -0.657
|
|
delta_h 22.708 #kJ/mol #76del/hep
|
|
-analytic 1.1396789E+3 1.8584154E-1 -6.2633494E+4 -4.147712E+2 3.613871E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 76del/hep; S°: 76del/hep; V°: Default value;
|
|
|
|
1.000Cl- + 1.000Cr+2 = CrCl+
|
|
-llnl_gamma 4.1
|
|
log_k 5.600
|
|
delta_h -20.200 #kJ/mol #91all/bro
|
|
-analytic 9.6875417E+2 1.5500658E-1 -5.1412674E+4 -3.5220562E+2 3.0738836E+6
|
|
#References = LogK/DGf: 91all/bro; DHf/DHr: 91all/bro; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Cl- + 1.000Cr+3 = CrCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.620
|
|
delta_h 20.920 #kJ/mol #64sil/mar
|
|
-analytic 1.1354945E+3 1.8607133E-1 -6.2020191E+4 -4.1321968E+2 3.5690917E+6
|
|
#References = LogK/DGf: 64sil/mar; DHf/DHr: 64sil/mar; S°: Internal calculation; V°: Default value;
|
|
|
|
2.000Cl- + 1.000Cr+3 = CrCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.710
|
|
delta_h 20.920 #kJ/mol #64sil/mar
|
|
-analytic 1.7746396E+3 2.8873469E-1 -9.7135393E+4 -6.4634263E+2 5.6616761E+6
|
|
#References = LogK/DGf: 64sil/mar; DHf/DHr: 64sil/mar; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Cr+3 + 1.000H2PO4- = CrH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 2.549
|
|
#References = LogK/DGf: 76bae/mes;
|
|
#References = LogK/DGf: 76bae/mes; V°: Default value;
|
|
|
|
1.000Cr+3 + 1.000H2PO4- = CrHPO4+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k 2.200
|
|
#References = LogK/DGf: 71sil/mar;
|
|
#References = LogK/DGf: 71sil/mar; V°: Default value;
|
|
|
|
1.000Cr+3 + 1.000H2O = CrO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -9.840
|
|
delta_h 98.557 #kJ/mol #Internal calculation
|
|
-analytic 2.4494763E+2 3.9996447E-2 -1.5606442E+4 -8.8371338E+1 3.82342E+5
|
|
#References = LogK/DGf: 87rai/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cr+3 + 2.000H2O = CrO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -27.649
|
|
delta_h 203.811 #kJ/mol #Internal calculation
|
|
-analytic -1.8395816E+2 -3.1185955E-2 1.3636037E+3 6.9029629E+1 -8.690201E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cl- + 1.000CrO4-2 + 2.000H+ = CrO3Cl- + 1.000H2O
|
|
-llnl_gamma 3.6
|
|
log_k 8.079
|
|
delta_h 5.450 #kJ/mol #76del/hep
|
|
-analytic 2.1003121E+3 3.341181E-1 -1.159292E+5 -7.6039863E+2 6.9812054E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 76del/hep; S°: 76del/hep; V°: Default value;
|
|
|
|
1.000Cr+2 + 1.000H2O = CrOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -5.300
|
|
delta_h 30.312 #kJ/mol #Internal calculation
|
|
-analytic 3.0621401E+2 4.9226503E-2 -1.7852153E+4 -1.1180383E+2 9.1890237E+5
|
|
#References = LogK/DGf: 83mic/deb; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97sho/sas;
|
|
|
|
1.000Cr+3 + 1.000H2O = CrOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -3.570
|
|
delta_h 38.068 #kJ/mol #Internal calculation
|
|
-analytic 2.1069818E+2 3.2843472E-2 -1.3954747E+4 -7.5133861E+1 7.6965246E+5
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Br- + 1.000Cs+ = CsBr
|
|
-llnl_gamma 3.4
|
|
log_k 0.022
|
|
delta_h 7.047 #kJ/mol #97sve/sho
|
|
-analytic 6.4329525E+2 9.9917411E-2 -3.507016E+4 -2.335035E+2 1.9868963E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cl- + 1.000Cs+ = CsCl
|
|
-llnl_gamma 3.4
|
|
log_k -0.126
|
|
delta_h 9.828 #kJ/mol #97sve/sho
|
|
-analytic 5.3671436E+2 8.4469039E-2 -2.9379963E+4 -1.9485098E+2 1.658936E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cs+ + 1.000I- = CsI
|
|
-llnl_gamma 3.4
|
|
log_k 0.982
|
|
delta_h -1.802 #kJ/mol #97sve/sho
|
|
-analytic 5.4186632E+2 8.5368332E-2 -2.9035527E+4 -1.9709445E+2 1.6664255E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cs+ + 1.000H2O = CsOH + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -15.677
|
|
delta_h 73.808 #kJ/mol #97asho/sas
|
|
-analytic 9.6099966E+0 -3.4983387E-3 -3.1138419E+3 -4.4683971E+0 -2.4387331E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cu+ + 2.000HS- = Cu(HS)2-
|
|
-llnl_gamma 3.6
|
|
log_k 16.880
|
|
delta_h -86.990 #kJ/mol #01aki/zot
|
|
-analytic 1.0004635E+3 1.5698231E-1 -4.9907153E+4 -3.6323305E+2 3.1822214E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Cu+2 + 4.000NH3 = Cu(NH3)4+2
|
|
-llnl_gamma 5.7
|
|
log_k 12.350
|
|
delta_h -89.045 #kJ/mol #Internal calculation
|
|
-analytic 6.5057582E+2 7.6875372E-2 -3.4924197E+4 -2.3104929E+2 2.4629287E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value;
|
|
|
|
1.000Cu+ + 2.000H2O = Cu(OH)2- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -16.180
|
|
delta_h -1.706 #kJ/mol #Internal calculation
|
|
-analytic -5.2739912E+2 -8.9213906E-2 2.9970322E+4 1.8602249E+2 -2.0448568E+6
|
|
#References = LogK/DGf: 95bev/pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
2.000Cu+2 + 1.000H2O = Cu2(OH)+3 + 1.000H+
|
|
-llnl_gamma 8.2
|
|
log_k -6.400
|
|
delta_h 24.661 #kJ/mol #Internal calculation
|
|
-analytic 6.2008255E+2 1.0193118E-1 -3.4301375E+4 -2.2751373E+2 1.8794074E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97ply/wan; V°: Default value;
|
|
|
|
2.000Cu+2 + 2.000H2O = Cu2(OH)2+2 + 2.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -10.429
|
|
delta_h 73.916 #kJ/mol #Internal calculation
|
|
-analytic 6.1241256E+2 9.8814466E-2 -3.6135166E+4 -2.2289771E+2 1.8170106E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97ply/wan; V°: Default value;
|
|
|
|
2.000Cu+ + 3.000HS- = Cu2S(HS)2-2 + 1.000H+
|
|
-llnl_gamma 4.7
|
|
log_k 29.300
|
|
delta_h -227.531 #kJ/mol #Internal calculation
|
|
-analytic 2.310401E+3 3.4433543E-1 -1.1328672E+5 -8.414917E+2 6.9707811E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value;
|
|
|
|
3.000Cu+2 + 4.000H2O = Cu3(OH)4+2 + 4.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -21.099
|
|
delta_h 109.826 #kJ/mol #Internal calculation
|
|
-analytic 8.7687302E+2 1.4510498E-1 -5.2347836E+4 -3.2153519E+2 2.6631191E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97ply/wan; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Cu+2 = CuAsO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -9.325
|
|
delta_h 76.057 #kJ/mol #Internal calculation
|
|
-analytic 2.626085E+2 3.5517046E-2 -1.417144E+4 -9.5620344E+1 1.435021E+5
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Cl- + 1.000Cu+2 = CuCl+
|
|
-llnl_gamma 4.1
|
|
log_k 0.830
|
|
delta_h 6.359 #kJ/mol #Internal calculation
|
|
-analytic 8.3390902E+2 1.3508055E-1 -4.6805032E+4 -3.0258003E+2 2.8753569E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cl- + 1.000Cu+ = CuCl
|
|
-llnl_gamma 3.4
|
|
log_k 3.601
|
|
delta_h -11.542 #kJ/mol #Internal calculation
|
|
-analytic 6.9682073E+2 1.1145574E-1 -3.6152888E+4 -2.5390327E+2 2.0511204E+6
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
2.000Cl- + 1.000Cu+2 = CuCl2
|
|
-llnl_gamma 3.4
|
|
log_k 0.600
|
|
delta_h 13.649 #kJ/mol #Internal calculation
|
|
-analytic 1.6510622E+3 2.675649E-1 -9.2495586E+4 -5.9955883E+2 5.6504478E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
2.000Cl- + 1.000Cu+ = CuCl2-
|
|
-llnl_gamma 3.6
|
|
log_k 4.813
|
|
delta_h -1.390 #kJ/mol #Internal calculation
|
|
-analytic 9.3079811E+2 1.4943939E-1 -4.9495975E+4 -3.3804672E+2 2.8396618E+6
|
|
#References = LogK/DGf: 01aki/zot; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
3.000Cl- + 1.000Cu+2 = CuCl3-
|
|
-llnl_gamma 3.6
|
|
log_k -1.280
|
|
delta_h 21.876 #kJ/mol #Internal calculation
|
|
-analytic 1.6530328E+3 2.6875545E-1 -9.5508234E+4 -5.9905145E+2 6.0632175E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
3.000Cl- + 1.000Cu+ = CuCl3-2
|
|
-llnl_gamma 4.7
|
|
log_k 4.593
|
|
delta_h -24.914 #kJ/mol #Internal calculation
|
|
-analytic 8.193345E+2 1.3272273E-1 -4.271742E+4 -2.9893153E+2 2.5466434E+6
|
|
#References = LogK/DGf: 05liu/mcp; DHf/DHr: Internal calculation; S°: 05liu/mcp; Cp: 05liu/mcp; V°: 05liu/mcp;
|
|
|
|
4.000Cl- + 1.000Cu+2 = CuCl4-2
|
|
-llnl_gamma 4.7
|
|
log_k -3.980
|
|
delta_h 27.657 #kJ/mol #Internal calculation
|
|
-analytic 1.6468256E+3 2.6794928E-1 -9.7853149E+4 -5.9597272E+2 6.418291E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000HCO3- + 1.000Cu+2 = CuCO3 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.560
|
|
delta_h 14.258 #kJ/mol #Internal calculation
|
|
-analytic 9.9493966E+2 1.4805279E-1 -5.3947417E+4 -3.6148134E+2 2.9122316E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value;
|
|
|
|
1.000Cu+2 + 1.000F- = CuF+
|
|
-llnl_gamma 4.1
|
|
log_k 1.580
|
|
delta_h 12.707 #kJ/mol #Internal calculation
|
|
-analytic 9.0349519E+2 1.4391597E-1 -5.1152437E+4 -3.2670884E+2 3.125681E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO3- + 1.000Cu+2 = CuH2AsO3+
|
|
-llnl_gamma 4.1
|
|
log_k 7.054
|
|
delta_h -46.255 #kJ/mol #Internal calculation
|
|
-analytic 6.4048484E+2 9.7287169E-2 -3.1510933E+4 -2.3336394E+2 1.8396872E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Cu+2 = CuH2AsO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.760
|
|
delta_h -10.919 #kJ/mol #Internal calculation
|
|
-analytic 8.3708708E+2 1.3054439E-1 -4.626741E+4 -3.035613E+2 2.8512836E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Cu+ + 1.000H2PO4- = CuH2PO4
|
|
-llnl_gamma 3.4
|
|
log_k 0.870
|
|
delta_h 0.072 #kJ/mol #Internal calculation
|
|
-analytic 7.5823613E+2 1.1422404E-1 -4.0572783E+4 -2.7506678E+2 2.2485201E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value;
|
|
|
|
1.000Cu+2 + 1.000H2PO4- = CuH2PO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.140
|
|
delta_h -5.145 #kJ/mol #Internal calculation
|
|
-analytic 8.9465654E+2 1.4956712E-1 -4.8399116E+4 -3.2681664E+2 2.925297E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Cu+2 = CuHAsO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.241
|
|
delta_h 4.151 #kJ/mol #Internal calculation
|
|
-analytic 9.0174788E+2 1.4276357E-1 -4.7805321E+4 -3.3001158E+2 2.611553E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000HCO3- + 1.000Cu+2 = CuHCO3+
|
|
-llnl_gamma 4.1
|
|
log_k 1.840
|
|
delta_h 8.599 #kJ/mol #Internal calculation
|
|
-analytic 8.9894429E+2 1.4805279E-1 -4.9182229E+4 -3.2696321E+2 2.9122316E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value;
|
|
|
|
1.000Cu+2 + 1.000H2PO4- = CuHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.960
|
|
delta_h 18.002 #kJ/mol #Internal calculation
|
|
-analytic 9.8806849E+2 1.4956712E-1 -5.381304E+4 -3.5929014E+2 2.925297E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value;
|
|
|
|
1.000Cu+ + 1.000HS- = CuHS
|
|
-llnl_gamma 3.4
|
|
log_k 13.020
|
|
delta_h -49.569 #kJ/mol #Internal calculation
|
|
-analytic 7.2536108E+2 1.135208E-1 -3.5911506E+4 -2.6274007E+2 2.1684359E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 01aki/zot; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Cu+2 + 1.000NO2- = CuNO2+
|
|
-llnl_gamma 4.1
|
|
log_k 1.960
|
|
delta_h -5.953 #kJ/mol #Internal calculation
|
|
-analytic 9.1084505E+2 1.4749544E-1 -4.978972E+4 -3.3134568E+2 3.0248667E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value;
|
|
|
|
1.000Cu+2 + 1.000NO3- = CuNO3+
|
|
-llnl_gamma 4.1
|
|
log_k 0.500
|
|
delta_h -7.587 #kJ/mol #Internal calculation
|
|
-analytic 8.7788093E+2 1.4270004E-1 -4.7837024E+4 -3.2011378E+2 2.8996936E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; V°: Default value;
|
|
|
|
1.000Cu+2 + 1.000H2O = CuO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -16.200
|
|
delta_h 85.086 #kJ/mol #Internal calculation
|
|
-analytic -1.0822011E+2 -1.6681077E-2 2.3160756E+3 3.8279517E+1 -4.8841945E+5
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cu+2 + 2.000H2O = CuO2-2 + 4.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -39.739
|
|
delta_h 178.318 #kJ/mol #Internal calculation
|
|
-analytic -1.0320473E+3 -1.7100293E-1 4.7751868E+4 3.7311655E+2 -3.5664622E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97ply/wan; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cu+2 + 1.000H2O = CuOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -7.950
|
|
delta_h 50.497 #kJ/mol #Internal calculation
|
|
-analytic 1.890945E+2 2.762379E-2 -1.290599E+4 -6.8113573E+1 5.8218861E+5
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97ply/wan; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cu+ + 1.000H2O = CuOH + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -11.554
|
|
delta_h 100.371 #kJ/mol #Internal calculation
|
|
-analytic -4.3706894E+2 -4.1362485E-2 2.5878517E+4 1.521298E+2 -2.2565364E+6
|
|
#References = LogK/DGf: 95bev/pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 01aki/zot; V°: 01aki/zot;
|
|
|
|
1.000Cu+2 + 1.000SO4-2 = CuSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.350
|
|
delta_h 7.300 #kJ/mol #07pow/bro
|
|
-analytic 1.7631569E+3 2.7073846E-1 -9.6741831E+4 -6.3864188E+2 5.6201861E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: 07pow/bro; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Cl- + 1.000Dy+3 = DyCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.248
|
|
delta_h 13.769 #kJ/mol #95haa/sho
|
|
-analytic 8.3240863E+2 1.3607136E-1 -4.7252816E+4 -3.0188406E+2 2.9111383E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Dy+3 = DyCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.018
|
|
delta_h 17.245 #kJ/mol #95haa/sho
|
|
-analytic 1.6092146E+3 2.6228645E-1 -8.9640045E+4 -5.8502399E+2 5.4069524E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Dy+3 = DyCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.429
|
|
delta_h 8.709 #kJ/mol #95haa/sho
|
|
-analytic 2.3531665E+3 3.8293705E-1 -1.28118E+5 -8.5790828E+2 7.5363305E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Dy+3 = DyCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.841
|
|
delta_h -14.298 #kJ/mol #95haa/sho
|
|
-analytic 2.2301636E+3 3.6217067E-1 -1.1943079E+5 -8.1506895E+2 6.9711743E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Dy+3 = DyCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.316
|
|
delta_h -7.263 #kJ/mol #95haa/sho
|
|
-analytic 7.315151E+2 1.1890048E-1 -3.6613193E+4 -2.6980725E+2 1.8792604E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Dy+3 + 1.000F- = DyF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.702
|
|
delta_h 23.183 #kJ/mol #95haa/sho
|
|
-analytic 9.253823E+2 1.4948314E-1 -5.2430694E+4 -3.3346924E+2 3.1781466E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Dy+3 + 2.000F- = DyF2+
|
|
-llnl_gamma 4.1
|
|
log_k 8.231
|
|
delta_h 12.519 #kJ/mol #95haa/sho
|
|
-analytic 1.773682E+3 2.8506199E-1 -9.8272824E+4 -6.4162663E+2 5.9406888E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Dy+3 + 3.000F- = DyF3
|
|
-llnl_gamma 3.4
|
|
log_k 10.880
|
|
delta_h -12.087 #kJ/mol #95haa/sho
|
|
-analytic 2.6024618E+3 4.1812809E-1 -1.4078719E+5 -9.4496254E+2 8.3741153E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Dy+3 + 4.000F- = DyF4-
|
|
-llnl_gamma 3.6
|
|
log_k 13.016
|
|
delta_h -57.465 #kJ/mol #95haa/sho
|
|
-analytic 2.6223389E+3 4.1563419E-1 -1.3980552E+5 -9.5322278E+2 8.3874076E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Dy+3 + 1.000H2PO4- = DyH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.963
|
|
delta_h -7.629 #kJ/mol #95haa/sho
|
|
-analytic 8.6571672E+2 1.3816819E-1 -4.9784834E+4 -3.1346699E+2 3.2610041E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Dy+3 = DyHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.716
|
|
delta_h 7.024 #kJ/mol #95haa/sho
|
|
-analytic 8.7431968E+2 1.4002734E-1 -5.0541692E+4 -3.1574421E+2 3.2404302E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Dy+3 + 1.000NO3- = DyNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.141
|
|
delta_h -30.398 #kJ/mol #95haa/sho
|
|
-analytic 7.961357E+2 1.263429E-1 -4.5043095E+4 -2.8965159E+2 3.0344556E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Dy+3 + 1.000H2O = DyO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -16.110
|
|
delta_h 145.698 #kJ/mol #95haa/sho
|
|
-analytic 1.990996E+2 3.2285768E-2 -1.4110305E+4 -7.1780024E+1 9.423573E+3
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Dy+3 + 2.000H2O = DyO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -33.465
|
|
delta_h 253.849 #kJ/mol #95haa/sho
|
|
-analytic -2.0472586E+2 -3.6571131E-2 3.1717495E+3 7.5993831E+1 -1.4681273E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Dy+3 + 2.000H2O = DyO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -24.816
|
|
delta_h 217.576 #kJ/mol #95haa/sho
|
|
-analytic 2.1912774E+2 3.193467E-2 -1.5630066E+4 -7.9103389E+1 -4.7159677E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Dy+3 + 1.000H2O = DyOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -7.827
|
|
delta_h 79.083 #kJ/mol #95haa/sho
|
|
-analytic 1.4657461E+2 2.2386785E-2 -1.0793605E+4 -5.1784898E+1 2.9018627E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Dy+3 + 1.000SO4-2 = DySO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.723
|
|
delta_h 19.765 #kJ/mol #95haa/sho
|
|
-analytic 1.6458401E+3 2.6071144E-1 -8.9289118E+4 -5.9710996E+2 5.0792162E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Cl- + 1.000Er+3 = ErCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.321
|
|
delta_h 12.603 #kJ/mol #95haa/sho
|
|
-analytic 8.267709E+2 1.350414E-1 -4.6756514E+4 -2.9993776E+2 2.8700268E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Er+3 = ErCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.018
|
|
delta_h 15.374 #kJ/mol #95haa/sho
|
|
-analytic 1.5960661E+3 2.5983599E-1 -8.8471132E+4 -5.8051943E+2 5.3013751E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Er+3 = ErCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.429
|
|
delta_h 5.091 #kJ/mol #95haa/sho
|
|
-analytic 2.3306282E+3 3.7922221E-1 -1.2590841E+5 -8.5040908E+2 7.3299763E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Er+3 = ErCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.841
|
|
delta_h -20.785 #kJ/mol #95haa/sho
|
|
-analytic 2.1932292E+3 3.5535589E-1 -1.1597009E+5 -8.0257699E+2 6.6554688E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Er+3 = ErCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.169
|
|
delta_h -8.973 #kJ/mol #95haa/sho
|
|
-analytic 7.3934807E+2 1.1995521E-1 -3.6987528E+4 -2.726604E+2 1.9072278E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Er+3 + 1.000F- = ErF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.775
|
|
delta_h 24.137 #kJ/mol #95haa/sho
|
|
-analytic 9.2009403E+2 1.4857257E-1 -5.2017702E+4 -3.3155175E+2 3.1339814E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Er+3 + 2.000F- = ErF2+
|
|
-llnl_gamma 4.1
|
|
log_k 8.377
|
|
delta_h 13.054 #kJ/mol #95haa/sho
|
|
-analytic 1.7618247E+3 2.8294166E-1 -9.722175E+4 -6.3745052E+2 5.8319926E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Er+3 + 3.000F- = ErF3
|
|
-llnl_gamma 3.4
|
|
log_k 11.027
|
|
delta_h -12.424 #kJ/mol #95haa/sho
|
|
-analytic 2.5806444E+3 4.1441324E-1 -1.387489E+5 -9.3746326E+2 8.1677607E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Er+3 + 4.000F- = ErF4-
|
|
-llnl_gamma 3.6
|
|
log_k 13.236
|
|
delta_h -60.342 #kJ/mol #95haa/sho
|
|
-analytic 2.6019423E+3 4.1141777E-1 -1.3733559E+5 -9.4648997E+2 8.1144668E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Er+3 + 1.000H2PO4- = ErH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.037
|
|
delta_h -9.794 #kJ/mol #95haa/sho
|
|
-analytic 8.6051563E+2 1.3715349E-1 -4.9285966E+4 -3.1171948E+2 3.2236335E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Er+3 = ErHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.789
|
|
delta_h 4.984 #kJ/mol #95haa/sho
|
|
-analytic 8.6600283E+2 1.3856784E-1 -4.9872894E+4 -3.1286712E+2 3.1926917E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Er+3 + 1.000NO3- = ErNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.141
|
|
delta_h -33.891 #kJ/mol #95haa/sho
|
|
-analytic 7.927088E+2 1.2553525E-1 -4.4610599E+4 -2.8862663E+2 3.00609E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Er+3 + 1.000H2O = ErO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -15.963
|
|
delta_h 143.738 #kJ/mol #95haa/sho
|
|
-analytic 2.0538278E+2 3.3284769E-2 -1.4754882E+4 -7.3889134E+1 9.3547614E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Er+3 + 2.000H2O = ErO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -32.586
|
|
delta_h 246.957 #kJ/mol #95haa/sho
|
|
-analytic -2.033288E+2 -3.6358022E-2 2.7450948E+3 7.5806351E+1 -1.3513288E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Er+3 + 2.000H2O = ErO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -24.303
|
|
delta_h 213.151 #kJ/mol #95haa/sho
|
|
-analytic 2.4297393E+2 3.5998582E-2 -1.7298243E+4 -8.7553844E+1 -2.9732541E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Er+3 + 1.000H2O = ErOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -7.753
|
|
delta_h 77.916 #kJ/mol #95haa/sho
|
|
-analytic 1.544774E+2 2.3623307E-2 -1.1540759E+4 -5.4472633E+1 3.7538483E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Er+3 + 1.000SO4-2 = ErSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.649
|
|
delta_h 20.059 #kJ/mol #95haa/sho
|
|
-analytic 1.6363931E+3 2.5910345E-1 -8.8832836E+4 -5.93635E+2 5.0547017E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Cl- + 1.000Eu+2 = EuCl+
|
|
-llnl_gamma 4.1
|
|
log_k 0.321
|
|
delta_h 8.611 #kJ/mol #95haa/sho
|
|
-analytic 8.7689506E+2 1.4309279E-1 -5.0463342E+4 -3.1772131E+2 3.2178048E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Cl- + 1.000Eu+3 = EuCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.321
|
|
delta_h 13.850 #kJ/mol #95haa/sho
|
|
-analytic 8.2381886E+2 1.3443405E-1 -4.6518752E+4 -2.988471E+2 2.8377488E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Eu+3 = EuCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.018
|
|
delta_h 18.617 #kJ/mol #95haa/sho
|
|
-analytic 1.586592E+3 2.5819501E-1 -8.7693006E+4 -5.7710489E+2 5.2039826E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Eu+2 = EuCl2
|
|
-llnl_gamma 3.4
|
|
log_k 1.229
|
|
delta_h 5.891 #kJ/mol #95haa/sho
|
|
-analytic 1.6456404E+3 2.6723431E-1 -9.4212135E+4 -5.964462E+2 6.0241784E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Eu+3 = EuCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.429
|
|
delta_h 11.329 #kJ/mol #95haa/sho
|
|
-analytic 2.3076362E+3 3.7460743E-1 -1.2432308E+5 -8.418823E+2 7.1478968E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Eu+2 = EuCl3-
|
|
-llnl_gamma 3.6
|
|
log_k 1.989
|
|
delta_h -3.227 #kJ/mol #95haa/sho
|
|
-analytic 1.8618152E+3 3.0434568E-1 -1.0854038E+5 -6.7402308E+2 7.227567E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Eu+3 = EuCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.841
|
|
delta_h -9.682 #kJ/mol #95haa/sho
|
|
-analytic 2.162032E+3 3.5015272E-1 -1.1348488E+5 -7.9130521E+2 6.3462771E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Eu+2 = EuCl4-2
|
|
-llnl_gamma 4.7
|
|
log_k 2.824
|
|
delta_h -19.999 #kJ/mol #95haa/sho
|
|
-analytic 1.9170037E+3 3.1639376E-1 -1.1392737E+5 -6.9342549E+2 7.9504144E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Eu+3 = EuCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.389
|
|
delta_h -6.221 #kJ/mol #95haa/sho
|
|
-analytic 7.2456447E+2 1.1771851E-1 -3.6310253E+4 -2.6721069E+2 1.8604703E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+2 + 1.000F- = EuF+
|
|
-llnl_gamma 4.1
|
|
log_k -1.382
|
|
delta_h 17.118 #kJ/mol #95haa/sho
|
|
-analytic 9.0224796E+2 1.4533379E-1 -5.2675251E+4 -3.2649336E+2 3.3422815E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+3 + 1.000F- = EuF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.482
|
|
delta_h 23.440 #kJ/mol #95haa/sho
|
|
-analytic 9.1672326E+2 1.4780566E-1 -5.1731083E+4 -3.3048155E+2 3.1070255E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+3 + 2.000F- = EuF2+
|
|
-llnl_gamma 4.1
|
|
log_k 7.791
|
|
delta_h 14.031 #kJ/mol #95haa/sho
|
|
-analytic 1.7496083E+3 2.8072232E-1 -9.629651E+4 -6.3330421E+2 5.7367563E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+2 + 2.000F- = EuF2
|
|
-llnl_gamma 3.4
|
|
log_k -2.031
|
|
delta_h 17.703 #kJ/mol #95haa/sho
|
|
-analytic 1.8014988E+3 2.9000999E-1 -1.037089E+5 -6.5304941E+2 6.5579213E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+3 + 3.000F- = EuF3
|
|
-llnl_gamma 3.4
|
|
log_k 10.294
|
|
delta_h -9.114 #kJ/mol #95haa/sho
|
|
-analytic 2.5564081E+3 4.0979859E-1 -1.3701081E+5 -9.2893697E+2 7.9856874E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+2 + 3.000F- = EuF3-
|
|
-llnl_gamma 3.6
|
|
log_k -2.461
|
|
delta_h 3.810 #kJ/mol #95haa/sho
|
|
-analytic 1.8653716E+3 3.0178505E-1 -1.1030874E+5 -6.752568E+2 7.3823052E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+3 + 4.000F- = EuF4-
|
|
-llnl_gamma 3.6
|
|
log_k 12.283
|
|
delta_h -52.158 #kJ/mol #95haa/sho
|
|
-analytic 2.5367132E+3 4.0101848E-1 -1.3298987E+5 -9.2332008E+2 7.7116648E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+2 + 4.000F- = EuF4-2
|
|
-llnl_gamma 4.7
|
|
log_k -2.743
|
|
delta_h -37.366 #kJ/mol #95haa/sho
|
|
-analytic 2.0277941E+3 3.2467814E-1 -1.223425E+5 -7.3336069E+2 8.6805859E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+3 + 1.000H2PO4- = EuH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.037
|
|
delta_h -6.925 #kJ/mol #95haa/sho
|
|
-analytic 8.5703935E+2 1.365667E-1 -4.9058683E+4 -3.1037824E+2 3.1854205E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Eu+3 = EuHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.642
|
|
delta_h 8.441 #kJ/mol #95haa/sho
|
|
-analytic 8.6819194E+2 1.3879695E-1 -4.9995921E+4 -3.135832E+2 3.173181E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+3 + 1.000NO3- = EuNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.874
|
|
delta_h -32.212 #kJ/mol #95haa/sho
|
|
-analytic 7.8647336E+2 1.2464865E-1 -4.410107E+4 -2.8615291E+2 2.9530008E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+3 + 1.000H2O = EuO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -16.329
|
|
delta_h 148.075 #kJ/mol #95haa/sho
|
|
-analytic 2.0540483E+2 3.3157682E-2 -1.4653418E+4 -7.393347E+1 4.1876472E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+3 + 2.000H2O = EuO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -34.491
|
|
delta_h 261.329 #kJ/mol #95haa/sho
|
|
-analytic -2.0723013E+2 -3.70037E-2 3.064962E+3 7.6925014E+1 -1.4982582E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+3 + 2.000H2O = EuO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -25.402
|
|
delta_h 222.296 #kJ/mol #95haa/sho
|
|
-analytic 3.2667111E+2 4.9590314E-2 -2.1368229E+4 -1.1847893E+2 -1.796434E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+3 + 1.000H2O = EuOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -7.900
|
|
delta_h 80.374 #kJ/mol #95haa/sho
|
|
-analytic 1.5033655E+2 2.2846479E-2 -1.1163238E+4 -5.3013995E+1 3.1763476E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Eu+3 + 1.000SO4-2 = EuSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.723
|
|
delta_h 20.264 #kJ/mol #95haa/sho
|
|
-analytic 1.6444111E+3 2.6038061E-1 -8.9254622E+4 -5.965293E+2 5.0770112E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000HCO3- + 1.000Fe+2 = Fe(CO3)2-2 + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -13.690
|
|
delta_h -10.381 #kJ/mol #Internal calculation
|
|
-analytic 1.6792284E+3 2.4369047E-1 -8.9983963E+4 -6.1370659E+2 4.8722416E+6
|
|
#References = LogK/DGf: 17bbla; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
3.000HCO3- + 1.000Fe+3 = Fe(CO3)3-3 + 3.000H+
|
|
-llnl_gamma 6.7
|
|
log_k -6.990
|
|
delta_h 99.714 #kJ/mol #Internal calculation
|
|
-analytic 2.5008215E+3 3.6873638E-1 -1.3830388E+5 -9.035391E+2 7.2778669E+6
|
|
#References = LogK/DGf: 17bbla; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
1.000Fe+2 + 2.000HS- = Fe(HS)2
|
|
-llnl_gamma 3.4
|
|
log_k 6.450
|
|
delta_h -36.849 #kJ/mol #Internal calculation
|
|
-analytic 1.6097838E+3 2.5928191E-1 -8.6158019E+4 -5.8625995E+2 5.2446031E+6
|
|
#References = LogK/DGf: 99dav/phi; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
1.000Fe+3 + 4.000H2O = Fe(OH)4- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -21.599
|
|
delta_h 144.981 #kJ/mol #Internal calculation
|
|
-analytic -4.4734751E+2 -4.7980357E-2 2.2242675E+4 1.5702037E+2 -2.0520918E+6
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 99dia/sch; Cp: 99dia/sch; V°: 99dia/sch;
|
|
|
|
2.000Fe+3 + 2.000H2O = Fe2(OH)2+4 + 2.000H+
|
|
-llnl_gamma 11.6
|
|
log_k -2.919
|
|
delta_h 56.480 #kJ/mol #76bae/mes
|
|
-analytic 9.4112378E+2 1.4793483E-1 -5.080159E+4 -3.4182891E+2 2.4954882E+6
|
|
#References = LogK/DGf: 07ste; DHf/DHr: 76bae/mes; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Fe+3 = FeAsO4 + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.427
|
|
delta_h 42.544 #kJ/mol #Internal calculation
|
|
-analytic 7.6692268E+2 1.286338E-1 -3.6919314E+4 -2.8354545E+2 1.3992939E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Fe+2 = FeAsO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -10.980
|
|
delta_h 85.100 #kJ/mol #Internal calculation
|
|
-analytic 2.4918312E+2 3.4100103E-2 -1.3982901E+4 -9.0834786E+1 1.1856227E+5
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Cl- + 1.000Fe+2 = FeCl+
|
|
-llnl_gamma 4.1
|
|
log_k -0.160
|
|
delta_h 21.550 #kJ/mol #17bbla
|
|
-analytic 8.1211677E+2 1.3182173E-1 -4.6121049E+4 -2.9424044E+2 2.7725958E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: 17bbla; S°: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cl- + 1.000Fe+3 = FeCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.520
|
|
delta_h 22.480 #kJ/mol #17bbla
|
|
-analytic 8.1446136E+2 1.3244719E-1 -4.5719767E+4 -2.9481007E+2 2.7025962E+6
|
|
#References = LogK/DGf: 00tag/dia; DHf/DHr: 17bbla; S°: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
2.000Cl- + 1.000Fe+3 = FeCl2+
|
|
-llnl_gamma 4.1
|
|
log_k 0.700
|
|
delta_h 22.180 #kJ/mol #17bbla
|
|
-analytic 1.8008994E+3 2.8747657E-1 -9.8237163E+4 -6.5463736E+2 5.6390473E+6
|
|
#References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; V°: Default value;
|
|
|
|
2.000Cl- + 1.000Fe+2 = FeCl2
|
|
-llnl_gamma 3.4
|
|
log_k -1.740
|
|
delta_h 9.900 #kJ/mol #17bbla
|
|
-analytic 1.6056093E+3 2.6112556E-1 -8.8964995E+4 -5.8478902E+2 5.352141E+6
|
|
#References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000HCO3- + 1.000Fe+2 = FeCO3 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -5.140
|
|
delta_h 14.400 #kJ/mol #17bbla
|
|
-analytic 9.6797705E+2 1.4816163E-1 -5.2932711E+4 -3.5269684E+2 2.9309121E+6
|
|
#References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000HCO3- + 1.000Fe+3 + 1.000H2O = FeCO3OH + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -9.970
|
|
delta_h 117.425 #kJ/mol #Internal calculation
|
|
-analytic 1.2362718E+3 1.7456198E-1 -7.0518618E+4 -4.4424638E+2 3.3328111E+6
|
|
#References = LogK/DGf: 17bbla; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
1.000CrO4-2 + 1.000Fe+3 = FeCrO4+
|
|
-llnl_gamma 4.1
|
|
log_k 7.800
|
|
delta_h 19.100 #kJ/mol #96bbar/pal
|
|
-analytic 1.8410071E+3 2.9366358E-1 -1.0087752E+5 -6.6638727E+2 5.9126379E+6
|
|
#References = LogK/DGf: 96bbar/pal; DHf/DHr: 96bbar/pal; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000F- + 1.000Fe+2 = FeF+
|
|
-llnl_gamma 4.1
|
|
log_k 1.430
|
|
delta_h 0.150 #kJ/mol #Internal calculation
|
|
-analytic 8.7588021E+2 1.4031975E-1 -4.8713414E+4 -3.1783355E+2 2.983037E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000F- + 1.000Fe+3 = FeF+2
|
|
-llnl_gamma 5.7
|
|
log_k 6.000
|
|
delta_h 20.833 #kJ/mol #Internal calculation
|
|
-analytic 9.0322119E+2 1.4595368E-1 -5.0109776E+4 -3.2568688E+2 2.9532789E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO3- + 1.000Fe+3 = FeH2AsO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 7.485
|
|
delta_h -47.156 #kJ/mol #Internal calculation
|
|
-analytic 6.8616294E+2 1.0108806E-1 -3.5091161E+4 -2.4860989E+2 2.1377436E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Fe+2 = FeH2AsO4+
|
|
-llnl_gamma 4.1
|
|
log_k 2.966
|
|
delta_h -20.323 #kJ/mol #Internal calculation
|
|
-analytic 8.1737644E+2 1.2787919E-1 -4.4686367E+4 -2.9663802E+2 2.7870083E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Fe+3 = FeH2AsO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.433
|
|
delta_h -26.990 #kJ/mol #Internal calculation
|
|
-analytic 8.8043405E+2 1.3378978E-1 -4.8973376E+4 -3.1805421E+2 3.1443056E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Fe+2 + 1.000H2PO4- = FeH2PO4+
|
|
-llnl_gamma 4.1
|
|
log_k 2.693
|
|
#References = LogK/DGf: 72bnri, 76smi/mar;
|
|
#References = LogK/DGf: 72bnri, 76smi/mar; V°: Default value;
|
|
|
|
1.000Fe+3 + 1.000H2PO4- = FeH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 5.423
|
|
#References = LogK/DGf: 72cnri;
|
|
#References = LogK/DGf: 72cnri; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Fe+2 = FeHAsO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.435
|
|
delta_h 3.862 #kJ/mol #Internal calculation
|
|
-analytic 8.922345E+2 1.4212095E-1 -4.7342096E+4 -3.2674036E+2 2.5993348E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Fe+3 = FeHAsO4+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k 3.142
|
|
delta_h -13.135 #kJ/mol #Internal calculation
|
|
-analytic 7.6208755E+2 1.2019393E-1 -3.7827178E+4 -2.7879052E+2 1.9504073E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Fe+3 + 1.000H2PO4- = FeHPO4+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k 3.674
|
|
delta_h -29.668 #kJ/mol #Internal calculation
|
|
-analytic 1.1187466E+3 1.7919302E-1 -5.8323604E+4 -4.0866759E+2 3.4082733E+6
|
|
#References = LogK/DGf: 65lah; DHf/DHr: Internal calculation; S°: 65lah; V°: Default value;
|
|
|
|
1.000Fe+2 + 1.000H2PO4- = FeHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.608
|
|
#References = LogK/DGf: 72bnri;
|
|
#References = LogK/DGf: 72bnri; V°: Default value;
|
|
|
|
1.000Fe+2 + 1.000SO4-2 + 1.000H+ = FeHSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.740
|
|
delta_h 9.900 #kJ/mol #17bbla
|
|
-analytic 1.6672948E+3 2.7084729E-1 -9.2726074E+4 -6.0568868E+2 5.6388667E+6
|
|
#References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Fe+3 + 1.000SO4-2 + 1.000H+ = FeHSO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 2.480
|
|
delta_h 75.275 #kJ/mol #Internal calculation
|
|
-analytic 1.9214938E+3 3.0036436E-1 -1.0795639E+5 -6.9314293E+2 6.1031625E+6
|
|
#References = LogK/DGf: 08bla; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
1.000Fe+2 + 1.000H2O = FeO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -20.600
|
|
delta_h 119.662 #kJ/mol #76bae/mes
|
|
-analytic 2.757701E+2 4.4685331E-2 -1.9853544E+4 -1.0126803E+2 6.6470377E+5
|
|
#References = LogK/DGf: 04chi; DHf/DHr: 76bae/mes; S°: Internal calculation; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Fe+3 + 1.000H2O = FeO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -5.482
|
|
delta_h 79.606 #kJ/mol #97asho/sas
|
|
-analytic 2.2228976E+2 3.6463475E-2 -1.2122623E+4 -8.0531597E+1 1.1438653E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Fe+2 + 1.000H2O = FeOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -9.500
|
|
delta_h 55.228 #kJ/mol #76bae/mes
|
|
-analytic 1.7937208E+2 2.6856943E-2 -1.2823594E+4 -6.4847214E+1 5.8594887E+5
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: 76bae/mes; S°: Internal calculation; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Fe+3 + 1.000H2O = FeOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -2.190
|
|
delta_h 35.903 #kJ/mol #Internal calculation
|
|
-analytic 1.6031592E+2 2.5129678E-2 -9.500017E+3 -5.7463507E+1 3.6045404E+5
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Fe+2 + 1.000H2PO4- = FePO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -11.626
|
|
#References = LogK/DGf: 79mat/spo;
|
|
#References = LogK/DGf: 79mat/spo; V°: Default value;
|
|
|
|
1.000Fe+3 + 1.000SO4-2 = FeSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 4.250
|
|
delta_h 26.000 #kJ/mol #17bbla
|
|
-analytic 1.9864742E+3 3.0036436E-1 -1.0858073E+5 -7.1784203E+2 6.1031625E+6
|
|
#References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Fe+2 + 1.000SO4-2 = FeSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.440
|
|
delta_h 8.400 #kJ/mol #17bbla
|
|
-analytic 1.7511722E+3 2.7084729E-1 -9.6362144E+4 -6.343748E+2 5.6388667E+6
|
|
#References = LogK/DGf: 17bbla; DHf/DHr: 17bbla; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Ga+3 + 2.000H2O = Ga(OH)2+ + 2.000H+
|
|
-llnl_gamma 4.5
|
|
log_k -7.268
|
|
delta_h 74.711 #kJ/mol #Internal calculation
|
|
-analytic -9.7674606E+2 -1.7926158E-1 4.552318E+4 3.6401659E+2 -2.7108582E+6
|
|
#References = LogK/DGf: 97ben/dia; DHf/DHr: Internal calculation; S°: 97ben/dia; Cp: 97ben/dia; V°: 97ben/dia;
|
|
|
|
1.000Ga+3 + 3.000H2O = Ga(OH)3 + 3.000H+
|
|
-llnl_gamma 3.0
|
|
log_k -11.920
|
|
delta_h 104.965 #kJ/mol #Internal calculation
|
|
-analytic -9.8690073E+2 -1.8511743E-1 4.4260148E+4 3.6880384E+2 -2.7430059E+6
|
|
#References = LogK/DGf: 97ben/dia; DHf/DHr: Internal calculation; S°: 97ben/dia; Cp: 97ben/dia; V°: 97ben/dia;
|
|
|
|
1.000Ga+3 + 4.000H2O = Ga(OH)4- + 4.000H+
|
|
-llnl_gamma 4.5
|
|
log_k -15.628
|
|
delta_h 106.332 #kJ/mol #99dia/sch
|
|
-analytic -1.8266759E+3 -3.0879955E-1 9.1339288E+4 6.7065764E+2 -5.5767401E+6
|
|
#References = LogK/DGf: 99dia/sch; DHf/DHr: Internal calculation; S°: 99dia/sch; Cp: 99dia/sch; V°: 99dia/sch;
|
|
|
|
1.000Ga+3 + 1.000H2O = GaOH+2 + 1.000H+
|
|
-llnl_gamma 4.5
|
|
log_k -2.835
|
|
delta_h 93.041 #kJ/mol #Internal calculation
|
|
-analytic 1.8100825E+2 1.3489432E-2 -1.6127449E+4 -5.7474004E+1 7.5047489E+5
|
|
#References = LogK/DGf: 97ben/dia; DHf/DHr: Internal calculation; S°: 97ben/dia; Cp: 97ben/dia; V°: 97ben/dia;
|
|
|
|
1.000Cl- + 1.000Gd+3 = GdCl+2
|
|
-llnl_gamma 5.7
|
|
log_k -0.053
|
|
delta_h 17.566 #kJ/mol #95haa/sho
|
|
-analytic 8.2950543E+2 1.3564605E-1 -4.697037E+4 -3.008982E+2 2.8526503E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Gd+3 = GdCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.392
|
|
delta_h 23.706 #kJ/mol #95haa/sho
|
|
-analytic 1.5973242E+3 2.6028079E-1 -8.85279E+4 -5.8089252E+2 5.2434454E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Gd+3 = GdCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.804
|
|
delta_h 18.662 #kJ/mol #95haa/sho
|
|
-analytic 2.3149591E+3 3.7577743E-1 -1.252585E+5 -8.4411579E+2 7.202813E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Gd+3 = GdCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -1.216
|
|
delta_h 1.144 #kJ/mol #95haa/sho
|
|
-analytic 2.1881619E+3 3.548776E-1 -1.1556892E+5 -8.0028772E+2 6.4621406E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Gd+3 = GdCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.837
|
|
delta_h -2.086 #kJ/mol #95haa/sho
|
|
-analytic 7.1908844E+2 1.1724372E-1 -3.6132332E+4 -2.6524021E+2 1.8335566E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000F- + 1.000Gd+3 = GdF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.254
|
|
delta_h 23.825 #kJ/mol #95haa/sho
|
|
-analytic 9.2101056E+2 1.4871324E-1 -5.1990387E+4 -3.3213595E+2 3.1228141E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000F- + 1.000Gd+3 = GdF2+
|
|
-llnl_gamma 4.1
|
|
log_k 7.636
|
|
delta_h 13.872 #kJ/mol #95haa/sho
|
|
-analytic 1.7545637E+3 2.8176509E-1 -9.6640709E+4 -6.351671E+2 5.7672646E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000F- + 1.000Gd+3 = GdF3
|
|
-llnl_gamma 3.4
|
|
log_k 10.212
|
|
delta_h -8.818 #kJ/mol #95haa/sho
|
|
-analytic 2.5627899E+3 4.1096846E-1 -1.3757853E+5 -9.3116996E+2 8.0405975E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000F- + 1.000Gd+3 = GdF4-
|
|
-llnl_gamma 3.6
|
|
log_k 12.275
|
|
delta_h -49.536 #kJ/mol #95haa/sho
|
|
-analytic 2.533651E+3 4.0125059E-1 -1.3317191E+5 -9.22027E+2 7.746864E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Gd+3 + 1.000H2PO4- = GdH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.662
|
|
delta_h -1.961 #kJ/mol #95haa/sho
|
|
-analytic 8.6271852E+2 1.3781235E-1 -4.9548692E+4 -3.1236771E+2 3.1979764E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Gd+3 = GdHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.341
|
|
delta_h 12.861 #kJ/mol #95haa/sho
|
|
-analytic 8.7799849E+2 1.4065642E-1 -5.068545E+4 -3.1707409E+2 3.1988302E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Gd+3 + 1.000NO3- = GdNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.060
|
|
delta_h -22.742 #kJ/mol #95haa/sho
|
|
-analytic 7.9153491E+2 1.2589502E-1 -4.4742719E+4 -2.8783539E+2 2.959031E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Gd+3 + 1.000H2O = GdO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -16.704
|
|
delta_h 152.790 #kJ/mol #95haa/sho
|
|
-analytic 2.0571741E+2 3.3390773E-2 -1.4454678E+4 -7.4196819E+1 -2.6705238E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Gd+3 + 2.000H2O = GdO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -34.793
|
|
delta_h 266.622 #kJ/mol #95haa/sho
|
|
-analytic -2.3182252E+2 -4.0290979E-2 5.0145592E+3 8.5454736E+1 -1.7092838E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Gd+3 + 2.000H2O = GdO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -25.630
|
|
delta_h 226.672 #kJ/mol #95haa/sho
|
|
-analytic 1.8449651E+2 2.593141E-2 -1.3404324E+4 -6.6630496E+1 -7.1354051E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Gd+3 + 1.000H2O = GdOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -8.274
|
|
delta_h 84.714 #kJ/mol #95haa/sho
|
|
-analytic 1.4769897E+2 2.2670571E-2 -1.0811226E+4 -5.2221149E+1 2.4412255E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Gd+3 + 1.000SO4-2 = GdSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.348
|
|
delta_h 22.358 #kJ/mol #95haa/sho
|
|
-analytic 1.6475836E+3 2.6116032E-1 -8.9472694E+4 -5.977727E+2 5.079554E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ge(OH)4 = GeO(OH)3- + 1.000H+
|
|
-llnl_gamma 4.5
|
|
log_k -9.309
|
|
delta_h 27.364 #kJ/mol #98pok/sch
|
|
-analytic -2.3900693E+2 -5.2430713E-2 9.7373534E+3 8.8864806E+1 -6.41759E+5
|
|
#References = LogK/DGf: 98pok/sch; DHf/DHr: Internal calculation; S°: 98pok/sch; Cp: 98pok/sch; V°: 98pok/sch;
|
|
|
|
3.000H2AsO3- + 6.000HS- + 8.000H+ = H2As3S6- + 9.000H2O
|
|
-llnl_gamma 3.6
|
|
log_k 100.884
|
|
delta_h -503.405 #kJ/mol #Internal calculation
|
|
-analytic 5.1888519E+3 8.3909978E-1 -2.5779944E+5 -1.8854132E+3 1.7054239E+7
|
|
#References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app;
|
|
|
|
1.000CrO4-2 + 2.000H+ = H2CrO4
|
|
-llnl_gamma 3.4
|
|
log_k 6.320
|
|
delta_h 39.595 #kJ/mol #Internal calculation
|
|
-analytic 1.3545765E+3 2.1151373E-1 -7.6293881E+4 -4.8721707E+2 4.4587595E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; V°: Default value;
|
|
|
|
0.666666666666667N2 + 0.666666666666667NO2- + 0.666666666666667H2O + 0.666666666666667H+ = H2N2O2
|
|
-llnl_gamma 3.4
|
|
log_k -35.639
|
|
delta_h 210.897 #kJ/mol #97asho/sas
|
|
-analytic 5.37306E+2 8.1090449E-2 -4.026654E+4 -1.9437679E+2 1.6805592E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000H2PO4- = H2P2O7-2 + 1.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k -1.761
|
|
delta_h 24.397 #kJ/mol #Internal calculation
|
|
-analytic 1.1707091E+2 1.9088425E-2 -9.8580261E+3 -4.0391015E+1 7.5435483E+5
|
|
#References = LogK/DGf: 92gre/fug; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000F- + 1.000H2PO4- + 2.000H+ = H2PO3F + 1.000H2O
|
|
-llnl_gamma 3.4
|
|
log_k 3.725
|
|
#References = LogK/DGf: 82wag/eva;
|
|
#References = LogK/DGf: 82wag/eva; V°: Default value;
|
|
|
|
1.000HS- + 1.000H+ = H2S
|
|
-llnl_gamma 3.4
|
|
log_k 6.989
|
|
delta_h -22.300 #kJ/mol #89cox/wag
|
|
-analytic 7.4840577E+2 1.1981793E-1 -4.1347022E+4 -2.703232E+2 2.7054536E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89bsho/hel, 01sch/sho; V°: 89bsho/hel, 01sch/sho;
|
|
|
|
1.000S2O3-2 + 2.000H+ = H2S2O3
|
|
-llnl_gamma 3.4
|
|
log_k 2.320
|
|
delta_h 22.917 #kJ/mol #Internal calculation
|
|
-analytic 1.4978525E+3 2.381435E-1 -8.4048925E+4 -5.4206627E+2 5.0379569E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000S2O4-2 + 2.000H+ = H2S2O4
|
|
-llnl_gamma 3.4
|
|
log_k 2.800
|
|
delta_h 20.193 #kJ/mol #Internal calculation
|
|
-analytic 1.5238155E+3 2.4187869E-1 -8.5504151E+4 -5.5133604E+2 5.1465525E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
4.000HS- + 2.000Sb(OH)3 + 4.000H+ = H2Sb2S4 + 6.000H2O
|
|
-llnl_gamma 3.4
|
|
log_k 58.081
|
|
delta_h -307.718 #kJ/mol #Internal calculation
|
|
-analytic 2.6641369E+3 4.3670693E-1 -1.2861198E+5 -9.7061511E+2 8.6076208E+6
|
|
#References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app;
|
|
|
|
1.000SeO3-2 + 2.000H+ = H2SeO3
|
|
-llnl_gamma 3.4
|
|
log_k 9.859
|
|
delta_h 1.856 #kJ/mol #97asho/sas
|
|
-analytic 1.5653292E+3 2.4888806E-1 -8.681006E+4 -5.6508583E+2 5.3117488E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H4SiO4 = H2SiO4-2 + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -23.270
|
|
delta_h 75.000 #kJ/mol #92gre/fug
|
|
-analytic 1.8444997E+2 9.7943151E-3 -1.169742E+4 -6.9072336E+1 -4.3719491E+4
|
|
#References = LogK/DGf: 01fel/cho; DHf/DHr: 92gre/fug; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000SO3-2 + 2.000H+ = H2SO3
|
|
-llnl_gamma 3.4
|
|
log_k 9.030
|
|
delta_h 21.452 #kJ/mol #Internal calculation
|
|
-analytic 1.2947646E+3 2.1816377E-1 -7.3029819E+4 -4.6771779E+2 4.5780383E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; V°: Default value;
|
|
|
|
1.000VO2+ + 2.000H2O = H2VO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -7.084
|
|
delta_h 47.506 #kJ/mol #97asho/sas
|
|
-analytic -2.1038168E+2 -4.1213894E-2 6.4158857E+3 7.9915055E+1 -3.2698691E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
3.000H2AsO3- + 6.000HS- + 9.000H+ = H3As3S6 + 9.000H2O
|
|
-llnl_gamma 3.4
|
|
log_k 104.464
|
|
delta_h -520.971 #kJ/mol #Internal calculation
|
|
-analytic 5.1998117E+3 8.4127029E-1 -2.5689763E+5 -1.8896477E+3 1.700323E+7
|
|
#References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app;
|
|
|
|
1.000H2AsO4- + 1.000H+ = H3AsO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.302
|
|
delta_h 11.056 #kJ/mol #Internal calculation
|
|
-analytic 1.6315873E+2 4.0730166E-2 -7.3546434E+3 -6.1578557E+1 3.5904024E+5
|
|
#References = LogK/DGf: 08per/pok; DHf/DHr: Internal calculation; S°: 08per/pok; Cp: 08per/pok; V°: 08per/pok;
|
|
|
|
2.000H2PO4- + 1.000H+ = H3P2O7- + 1.000H2O
|
|
-llnl_gamma 3.6
|
|
log_k 0.489
|
|
delta_h 26.523 #kJ/mol #Internal calculation
|
|
-analytic 8.3061274E+2 1.3309825E-1 -4.8202369E+4 -2.996259E+2 2.9574473E+6
|
|
#References = LogK/DGf: 92gre/fug; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H2PO2- + 1.000H+ = H3PO2
|
|
-llnl_gamma 3.4
|
|
log_k 1.969
|
|
delta_h 4.727 #kJ/mol #97asho/sas
|
|
-analytic 6.8841428E+2 1.0842507E-1 -3.7571028E+4 -2.4947228E+2 2.1818556E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H2PO3- + 1.000H+ = H3PO3
|
|
-llnl_gamma 3.4
|
|
log_k 1.777
|
|
delta_h 4.700 #kJ/mol #97asho/sas
|
|
-analytic 7.1612589E+2 1.1249268E-1 -3.9032552E+4 -2.5960426E+2 2.2579962E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H2PO4- + 1.000H+ = H3PO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.140
|
|
delta_h 8.480 #kJ/mol #92gre/fug
|
|
-analytic 7.1025826E+2 1.120357E-1 -3.9337244E+4 -2.5690319E+2 2.3206747E+6
|
|
#References = LogK/DGf: 92gre/fug; DHf/DHr: 92gre/fug; S°: Internal calculation; Cp: 89bsho/hel; V°: 89bsho/hel;
|
|
|
|
1.000VO2+ + 2.000H2O = H3VO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.265
|
|
delta_h 35.811 #kJ/mol #97asho/sas
|
|
-analytic 3.0523392E+2 4.1966796E-2 -1.8681863E+4 -1.0878304E+2 9.6218428E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000H2PO4- + 2.000H+ = H4P2O7 + 1.000H2O
|
|
-llnl_gamma 3.4
|
|
log_k 1.489
|
|
delta_h 39.160 #kJ/mol #92gre/fug
|
|
-analytic 1.6126525E+3 2.5529404E-1 -9.1325765E+4 -5.8281122E+2 5.436486E+6
|
|
#References = LogK/DGf: 92gre/fug; DHf/DHr: 92gre/fug; S°: Internal calculation; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Al+3 + 2.000H2O = HAlO2 + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -16.419
|
|
delta_h 144.671 #kJ/mol #Internal calculation
|
|
-analytic 3.0111681E+2 5.3614646E-2 -2.3398929E+4 -1.0760033E+2 9.9640736E+5
|
|
#References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 95pok/hel; Cp: 95pok/hel; V°: 95pok/hel;
|
|
|
|
3.000H2AsO3- + 6.000HS- + 7.000H+ = HAs3S6-2 + 9.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k 92.977
|
|
delta_h -475.787 #kJ/mol #Internal calculation
|
|
-analytic 4.2493503E+3 6.9212628E-1 -2.0833961E+5 -1.5448174E+3 1.4097958E+7
|
|
#References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app;
|
|
|
|
1.000H2AsO4- = HAsO4-2 + 1.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -6.960
|
|
delta_h 4.299 #kJ/mol #Internal calculation
|
|
-analytic -7.549673E+2 -1.2127731E-1 4.1238812E+4 2.7249295E+2 -2.5259568E+6
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Be+2 + 2.000H2O = HBeO2- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -23.240
|
|
delta_h 89.448 #kJ/mol #97asho/sas
|
|
-analytic -1.7137505E+2 -3.4273976E-2 1.1241032E+3 6.2929524E+1 -1.005633E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Bi+3 + 2.000H2O = HBiO2 + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -8.191
|
|
delta_h 129.295 #kJ/mol #97asho/sas
|
|
-analytic 9.1087347E+1 1.0428909E-2 -6.7213732E+2 -3.3966638E+1 -1.4298866E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000BrO- + 1.000H+ = HBrO
|
|
-llnl_gamma 3.4
|
|
log_k 8.576
|
|
delta_h -18.890 #kJ/mol #97asho/sas
|
|
-analytic 7.253877E+2 1.1480283E-1 -3.8836477E+4 -2.6179657E+2 2.4016072E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cd+2 + 2.000H2O = HCdO2- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -33.299
|
|
delta_h 156.473 #kJ/mol #Internal calculation
|
|
-analytic -3.516615E+2 -6.1079417E-2 1.0635961E+4 1.2688406E+2 -1.1615318E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cl- + 1.000H+ = HCl
|
|
-llnl_gamma 3.4
|
|
log_k -0.710
|
|
delta_h -12.298 #kJ/mol #Internal calculation
|
|
-analytic 4.7680511E+2 9.0813234E-2 -2.5457077E+4 -1.770237E+2 1.673506E+6
|
|
#References = LogK/DGf: 97tag/zot; DHf/DHr: Internal calculation; S°: 99aki/zot, d'apres 97tag/zot; Cp: 99aki/zot, d'apres 97tag/zot; V°: 99aki/zot, d'apres 97tag/zot;
|
|
|
|
1.000ClO- + 1.000H+ = HClO
|
|
-llnl_gamma 3.4
|
|
log_k 7.550
|
|
delta_h -13.281 #kJ/mol #97asho/sas
|
|
-analytic 7.2521759E+2 1.1476363E-1 -3.9121335E+4 -2.617481E+2 2.4008143E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000ClO2- + 1.000H+ = HClO2
|
|
-llnl_gamma 3.4
|
|
log_k 1.979
|
|
delta_h 14.650 #kJ/mol #97asho/sas
|
|
-analytic 7.8823545E+2 1.2433371E-1 -4.4591826E+4 -2.8450347E+2 2.6864106E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000CN- + 1.000H+ = HCN
|
|
-llnl_gamma 3.4
|
|
log_k 9.236
|
|
delta_h -43.612 #kJ/mol #93sho/mck
|
|
-analytic 6.7984466E+2 1.0836107E-1 -3.6475991E+4 -2.458413E+2 2.4661422E+6
|
|
#References = LogK/DGf: 93sho/mck; DHf/DHr: Internal calculation; S°: 93sho/mck; Cp: 93sho/mck; V°: 93sho/mck;
|
|
|
|
1.000Co+2 + 2.000H2O = HCoO2- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -31.699
|
|
delta_h 139.444 #kJ/mol #Internal calculation
|
|
-analytic -1.951837E+2 -3.7858926E-2 7.0808385E+2 7.1116015E+1 -3.1778511E+5
|
|
#References = LogK/DGf: 98ply/zha; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cr+3 + 2.000H2O = HCrO2 + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -16.189
|
|
delta_h 154.240 #kJ/mol #97asho/sas
|
|
-analytic 3.6735811E+2 5.8200917E-2 -2.3439453E+4 -1.3253915E+2 5.0453384E+5
|
|
#References = LogK/DGf: 87rai/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000CrO4-2 + 1.000H+ = HCrO4-
|
|
-llnl_gamma 3.6
|
|
log_k 6.520
|
|
delta_h 7.379 #kJ/mol #97asho/sas
|
|
-analytic 8.4378626E+2 1.3502887E-1 -4.740433E+4 -3.0371949E+2 2.9338263E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cu+2 + 2.000H2O = HCuO2- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -26.599
|
|
delta_h 139.437 #kJ/mol #Internal calculation
|
|
-analytic -1.9630819E+0 -4.8454332E-3 -4.8866403E+3 -7.6413323E-1 -4.3655109E+5
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000F- + 1.000H+ = HF
|
|
-llnl_gamma 3.4
|
|
log_k 3.208
|
|
delta_h 13.871 #kJ/mol #89bsho/hel
|
|
-analytic 6.685259E+2 1.0837656E-1 -3.7235003E+4 -2.4153097E+2 2.2142404E+6
|
|
#References = LogK/DGf: 89bsho/hel; DHf/DHr: Internal calculation; S°: 89bsho/hel; Cp: 89bsho/hel; V°: 89bsho/hel;
|
|
|
|
2.000F- + 1.000H+ = HF2-
|
|
-llnl_gamma 3.6
|
|
log_k 2.630
|
|
delta_h 20.783 #kJ/mol #88sho/hel
|
|
-analytic 7.3983285E+2 1.1859498E-1 -4.0367651E+4 -2.6775612E+2 2.2558792E+6
|
|
#References = LogK/DGf: 88sho/hel; DHf/DHr: Internal calculation; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel;
|
|
|
|
1.000Fe+3 + 2.000H2O = HFeO2 + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -14.299
|
|
delta_h 150.624 #kJ/mol #Internal calculation
|
|
-analytic 2.8403883E+2 4.3661342E-2 -1.6755709E+4 -1.0274206E+2 -8.2526659E+4
|
|
#References = LogK/DGf: 07ste; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Fe+2 + 2.000H2O = HFeO2- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -31.929
|
|
delta_h 152.120 #kJ/mol #Internal calculation
|
|
-analytic -2.1867164E+2 -4.1451824E-2 2.1450309E+3 7.9872634E+1 -5.0962263E+5
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Hf+4 + 1.000H2O = HfO+2 + 2.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -2.402
|
|
delta_h 73.943 #kJ/mol #97asho/sas
|
|
-analytic 2.3087962E+2 3.8441027E-2 -1.3351566E+4 -8.2329949E+1 3.3408399E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Hf+4 + 2.000H2O = HfO2 + 4.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -10.669
|
|
delta_h 101.647 #kJ/mol #97asho/sas
|
|
-analytic 6.3229225E+2 1.055366E-1 -3.8059279E+4 -2.2939535E+2 1.8532929E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Hf+4 + 1.000H2O = HfOH+3 + 1.000H+
|
|
-llnl_gamma 8.2
|
|
log_k -0.203
|
|
delta_h 28.209 #kJ/mol #97asho/sas
|
|
-analytic 2.0533269E+2 3.2551789E-2 -1.3507144E+4 -7.2442957E+1 8.2823499E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Hg+2 + 2.000HS- = Hg(HS)2
|
|
-llnl_gamma 3.4
|
|
log_k 39.759
|
|
delta_h -194.111 #kJ/mol #Internal calculation
|
|
-analytic 1.5703288E+3 2.4882753E-1 -7.6284095E+4 -5.687611E+2 5.1969865E+6
|
|
#References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app;
|
|
|
|
1.000Hg+2 + 2.000H2O = Hg(OH)2 + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -6.074
|
|
delta_h 50.266 #kJ/mol #Internal calculation
|
|
-analytic 2.5504881E+2 3.4576584E-2 -1.5730388E+4 -9.1319729E+1 6.4825247E+5
|
|
#References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 12bla; Cp: 05bes/app; V°: 05bes/app;
|
|
|
|
1.000HCO3- + 1.000Hg+2 + 1.000H2O = Hg(OH)CO3- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -5.095
|
|
#References = LogK/DGf: 05pow/bro;
|
|
#References = LogK/DGf: 05pow/bro; V°: Default value;
|
|
|
|
1.000Hg2+2 + 1.000H2O = Hg2(OH)+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -5.000
|
|
#References = LogK/DGf: 76bae/mes;
|
|
#References = LogK/DGf: 76bae/mes; V°: Default value;
|
|
|
|
2.000Hg+2 + 1.000H2O = Hg2(OH)+3 + 1.000H+
|
|
-llnl_gamma 8.2
|
|
log_k -3.330
|
|
delta_h 12.803 #kJ/mol #76bae/mes
|
|
-analytic 5.8590903E+2 8.7693177E-2 -3.1204346E+4 -2.1362369E+2 1.5888227E+6
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: 76bae/mes; S°: Internal calculation; V°: Default value;
|
|
|
|
3.000Hg+2 + 3.000H2O = Hg3(OH)3+3 + 3.000H+
|
|
-llnl_gamma 8.2
|
|
log_k -6.420
|
|
#References = LogK/DGf: 76bae/mes;
|
|
#References = LogK/DGf: 76bae/mes; V°: Default value;
|
|
|
|
1.000Hg+2 + 1.000Cl- = HgCl+
|
|
-llnl_gamma 4.1
|
|
log_k 7.210
|
|
delta_h -32.683 #kJ/mol #Internal calculation
|
|
-analytic 8.3901966E+2 1.3660176E-1 -4.524016E+4 -3.0460641E+2 2.9270363E+6
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
2.000Cl- + 1.000Hg+2 = HgCl2
|
|
-llnl_gamma 3.4
|
|
log_k 13.980
|
|
delta_h -72.022 #kJ/mol #Internal calculation
|
|
-analytic 1.628757E+3 2.6423967E-1 -8.7765028E+4 -5.9148558E+2 5.7245444E+6
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
3.000Cl- + 1.000Hg+2 = HgCl3-
|
|
-llnl_gamma 3.6
|
|
log_k 15.060
|
|
delta_h -87.739 #kJ/mol #Internal calculation
|
|
-analytic 1.7509172E+3 2.8619069E-1 -9.6316803E+4 -6.3530984E+2 6.5688689E+6
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
4.000Cl- + 1.000Hg+2 = HgCl4-2
|
|
-llnl_gamma 4.7
|
|
log_k 15.420
|
|
delta_h -109.351 #kJ/mol #Internal calculation
|
|
-analytic 1.6653929E+3 2.7781643E-1 -9.2970913E+4 -6.0481699E+2 6.7205484E+6
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000HCO3- + 1.000Hg+2 = HgCO3 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k 1.050
|
|
#References = LogK/DGf: 05pow/bro;
|
|
#References = LogK/DGf: 05pow/bro; V°: Default value;
|
|
|
|
1.000F- + 1.000Hg+2 = HgF+
|
|
-llnl_gamma 4.1
|
|
log_k 1.667
|
|
delta_h -0.202 #kJ/mol #97sve/sho
|
|
-analytic 8.7968696E+2 1.4114389E-1 -4.9515774E+4 -3.1881056E+2 3.0980316E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000HCO3- + 1.000Hg+2 = HgHCO3+
|
|
-llnl_gamma 4.1
|
|
log_k 5.380
|
|
#References = LogK/DGf: 05pow/bro;
|
|
#References = LogK/DGf: 05pow/bro; V°: Default value;
|
|
|
|
1.000Hg+2 + 1.000H2PO4- = HgHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k 1.587
|
|
#References = LogK/DGf: 05pow/bro;
|
|
#References = LogK/DGf: 05pow/bro; V°: Default value;
|
|
|
|
1.000Hg+2 + 1.000H2O = HgOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -3.400
|
|
delta_h 30.174 #kJ/mol #Internal calculation
|
|
-analytic 2.5448996E+2 3.8721267E-2 -1.6514553E+4 -9.0978336E+1 9.8455322E+5
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Hg+2 + 1.000Cl- + 1.000H2O = HgOHCl + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k 4.060
|
|
delta_h 0.005 #kJ/mol #76bae/mes
|
|
-analytic 9.4079578E+2 1.4495159E-1 -5.0409798E+4 -3.406853E+2 2.8557973E+6
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: 76bae/mes; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Hg+2 + 1.000H2PO4- = HgPO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -3.962
|
|
#References = LogK/DGf: 05pow/bro;
|
|
#References = LogK/DGf: 05pow/bro; V°: Default value;
|
|
|
|
1.000Hg+2 + 2.000HS- = HgS(HS)- + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k 33.628
|
|
delta_h -176.127 #kJ/mol #Internal calculation
|
|
-analytic 1.0519057E+3 1.673117E-1 -4.8800229E+4 -3.8143431E+2 3.4978895E+6
|
|
#References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app;
|
|
|
|
1.000Hg+2 + 2.000HS- = HgS2-2 + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k 25.328
|
|
#References = LogK/DGf: 63sch/wid;
|
|
#References = LogK/DGf: 63sch/wid; V°: Default value;
|
|
|
|
1.000Hg + 1.000HSO5- + 1.000H+ = HgSO4 + 1.000H2O
|
|
-llnl_gamma 3.4
|
|
log_k 39.255
|
|
#References = LogK/DGf: 05pow/bro;
|
|
#References = LogK/DGf: 05pow/bro; V°: Default value;
|
|
|
|
1.000Hf+4 + 2.000H2O = HHfO2+ + 3.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -5.978
|
|
delta_h 67.509 #kJ/mol #97asho/sas
|
|
-analytic 6.1003011E+2 9.6257534E-2 -3.8336254E+4 -2.1878112E+2 2.2430609E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Hf+4 + 3.000H2O = HHfO3- + 5.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -17.176
|
|
delta_h 131.409 #kJ/mol #97asho/sas
|
|
-analytic 8.7243783E+1 9.1189023E-3 -1.190634E+4 -2.8625359E+1 3.2241806E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Hg+2 + 2.000H2O = HHgO2- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -21.099
|
|
delta_h 92.387 #kJ/mol #Internal calculation
|
|
-analytic -3.9741873E+2 -6.8982004E-2 1.8309097E+4 1.428694E+2 -1.6039648E+6
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000In+3 + 2.000H2O = HInO2 + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -12.428
|
|
delta_h 141.752 #kJ/mol #97asho/sas
|
|
-analytic 2.4945689E+2 3.7724642E-2 -1.374409E+4 -9.0375438E+1 -3.0281458E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000IO- + 1.000H+ = HIO
|
|
-llnl_gamma 3.4
|
|
log_k 10.629
|
|
delta_h -30.480 #kJ/mol #97asho/sas
|
|
-analytic 6.4143044E+2 1.0206306E-1 -3.3047826E+4 -2.3170884E+2 2.0409398E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000IO3- + 1.000H+ = HIO3
|
|
-llnl_gamma 3.4
|
|
log_k 0.806
|
|
delta_h 9.868 #kJ/mol #97asho/sas
|
|
-analytic 7.1654677E+2 1.1308546E-1 -4.0076957E+4 -2.594041E+2 2.3859365E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Mn+2 + 2.000H2O = HMnO2- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -34.785
|
|
delta_h 165.700 #kJ/mol #97asho/sas
|
|
-analytic -3.4178178E+2 -5.8907129E-2 9.9726351E+3 1.2301493E+2 -1.1805526E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000MoO4-2 + 1.000H+ = HMoO4-
|
|
-llnl_gamma 3.6
|
|
log_k 4.398
|
|
delta_h 4.211 #kJ/mol #97asho/sas
|
|
-analytic 7.9784108E+2 1.2859409E-1 -4.5530162E+4 -2.8764328E+2 2.9050439E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.666666666666667N2 + 0.666666666666667NO2- + 0.666666666666667H2O = HN2O2- + 0.333333333333333H+
|
|
-llnl_gamma 3.6
|
|
log_k -42.676
|
|
delta_h 228.610 #kJ/mol #97asho/sas
|
|
-analytic -2.4262613E+2 -4.1231924E-2 1.457473E+3 8.7665055E+1 -8.5036888E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000NbO3- + 1.000H+ = HNbO3
|
|
-llnl_gamma 3.4
|
|
log_k 7.110
|
|
delta_h -5.781 #kJ/mol #97asho/sas
|
|
-analytic 9.7366392E+2 1.5468766E-1 -5.4365139E+4 -3.5110892E+2 3.4191788E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ni+2 + 2.000H2O = HNiO2- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -31.499
|
|
delta_h 128.446 #kJ/mol #Internal calculation
|
|
-analytic -1.5708374E+2 -3.1961335E-2 -1.8863724E+3 5.7311697E+1 -3.3200996E+4
|
|
#References = LogK/DGf: 12bla; DHf/DHr: Internal calculation; S°: 12coo/oli; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000NO2- + 1.000H+ = HNO2
|
|
-llnl_gamma 3.4
|
|
log_k 3.225
|
|
delta_h -14.668 #kJ/mol #97asho/sas
|
|
-analytic 6.440201E+2 1.0196703E-1 -3.477125E+4 -2.3381749E+2 2.1328321E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000NO3- + 1.000H+ = HNO3
|
|
-llnl_gamma 3.4
|
|
log_k -1.303
|
|
delta_h 16.890 #kJ/mol #97asho/sas
|
|
-analytic 7.1469679E+2 1.1228921E-1 -4.0454654E+4 -2.5890435E+2 2.3867115E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cl- + 1.000Ho+3 = HoCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.248
|
|
delta_h 14.019 #kJ/mol #95haa/sho
|
|
-analytic 8.30936E+2 1.3592313E-1 -4.7056266E+4 -3.0142634E+2 2.8866931E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Ho+3 = HoCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.018
|
|
delta_h 17.744 #kJ/mol #95haa/sho
|
|
-analytic 1.6030059E+3 2.6130157E-1 -8.9033175E+4 -5.8291466E+2 5.3400537E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Ho+3 = HoCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.429
|
|
delta_h 9.832 #kJ/mol #95haa/sho
|
|
-analytic 2.3395084E+3 3.8054766E-1 -1.2692279E+5 -8.5314333E+2 7.4093196E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Ho+3 = HoCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.841
|
|
delta_h -12.427 #kJ/mol #95haa/sho
|
|
-analytic 2.2089413E+3 3.5855886E-1 -1.1752471E+5 -8.0770811E+2 6.7660298E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Ho+3 = HoCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.243
|
|
delta_h -7.432 #kJ/mol #95haa/sho
|
|
-analytic 7.2948334E+2 1.1872287E-1 -3.6463635E+4 -2.6909442E+2 1.8697064E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000F- + 1.000Ho+3 = HoF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.775
|
|
delta_h 22.390 #kJ/mol #95haa/sho
|
|
-analytic 9.235634E+2 1.4924318E-1 -5.2178725E+4 -3.3290883E+2 3.1543171E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000F- + 1.000Ho+3 = HoF2+
|
|
-llnl_gamma 4.1
|
|
log_k 8.377
|
|
delta_h 11.307 #kJ/mol #95haa/sho
|
|
-analytic 1.7668683E+3 2.8396018E-1 -9.7562456E+4 -6.3933872E+2 5.8735722E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000F- + 1.000Ho+3 = HoF3
|
|
-llnl_gamma 3.4
|
|
log_k 11.027
|
|
delta_h -13.048 #kJ/mol #95haa/sho
|
|
-analytic 2.5885864E+3 4.1573881E-1 -1.394832E+5 -9.4019803E+2 8.2471101E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000F- + 1.000Ho+3 = HoF4-
|
|
-llnl_gamma 3.6
|
|
log_k 13.163
|
|
delta_h -57.927 #kJ/mol #95haa/sho
|
|
-analytic 2.5952669E+3 4.1115742E-1 -1.3747882E+5 -9.4382861E+2 8.1655564E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ho+3 + 1.000H2PO4- = HoH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.037
|
|
delta_h -7.549 #kJ/mol #95haa/sho
|
|
-analytic 8.6398893E+2 1.3798258E-1 -4.956159E+4 -3.1290317E+2 3.2354506E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Ho+3 = HoHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.716
|
|
delta_h 7.399 #kJ/mol #95haa/sho
|
|
-analytic 8.740395E+2 1.400801E-1 -5.0409954E+4 -3.1571845E+2 3.2189952E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ho+3 + 1.000NO3- = HoNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.215
|
|
delta_h -29.818 #kJ/mol #95haa/sho
|
|
-analytic 7.9393802E+2 1.2608632E-1 -4.4812801E+4 -2.8888958E+2 3.0068565E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ho+3 + 1.000H2O = HoO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -16.036
|
|
delta_h 145.778 #kJ/mol #95haa/sho
|
|
-analytic 2.0182629E+2 3.2811956E-2 -1.4241552E+4 -7.2768876E+1 1.624869E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ho+3 + 2.000H2O = HoO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -33.465
|
|
delta_h 254.473 #kJ/mol #95haa/sho
|
|
-analytic -2.0577818E+2 -3.6606642E-2 3.3101648E+3 7.6324873E+1 -1.4877272E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ho+3 + 2.000H2O = HoO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -24.523
|
|
delta_h 216.527 #kJ/mol #95haa/sho
|
|
-analytic 2.1580819E+2 3.1415206E-2 -1.5301138E+4 -7.7913743E+1 -4.9642473E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ho+3 + 1.000H2O = HoOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -7.753
|
|
delta_h 79.039 #kJ/mol #95haa/sho
|
|
-analytic 1.4826432E+2 2.2747286E-2 -1.0866063E+4 -5.240166E+1 2.9420983E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Ho+3 + 1.000SO4-2 = HoSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.649
|
|
delta_h 20.183 #kJ/mol #95haa/sho
|
|
-analytic 1.6456043E+3 2.6077455E-1 -8.927716E+4 -5.9705393E+2 5.0761041E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000H2PO4- = HP2O7-3 + 1.000H2O + 1.000H+
|
|
-llnl_gamma 6.7
|
|
log_k -8.411
|
|
delta_h 27.426 #kJ/mol #Internal calculation
|
|
-analytic -5.4508318E+2 -9.0484926E-2 2.5827196E+4 1.9921533E+2 -1.415148E+6
|
|
#References = LogK/DGf: 92gre/fug; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Pb+2 + 2.000H2O = HPbO2- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -27.199
|
|
delta_h 130.485 #kJ/mol #Internal calculation
|
|
-analytic -4.0970302E+2 -7.1282023E-2 1.8365533E+4 1.4675885E+2 -1.8656159E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H2PO3- = HPO3-2 + 1.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -6.144
|
|
delta_h 0.516 #kJ/mol #97asho/sas
|
|
-analytic -7.7016674E+2 -1.2356881E-1 4.2208754E+4 2.7809573E+2 -2.5631627E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000F- + 1.000H2PO4- + 1.000H+ = HPO3F- + 1.000H2O
|
|
-llnl_gamma 3.6
|
|
log_k 2.920
|
|
#References = LogK/DGf: 82wag/eva;
|
|
#References = LogK/DGf: 82wag/eva; V°: Default value;
|
|
|
|
1.000H2PO4- = HPO4-2 + 1.000H+
|
|
-llnl_gamma 4.0
|
|
log_k -7.212
|
|
delta_h 3.600 #kJ/mol #89cox/wag
|
|
-analytic -7.4660952E+2 -1.2024237E-1 4.0983294E+4 2.692598E+2 -2.5314009E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000S2O3-2 + 1.000H+ = HS2O3-
|
|
-llnl_gamma 3.6
|
|
log_k 1.720
|
|
delta_h 8.253 #kJ/mol #Internal calculation
|
|
-analytic 7.6374624E+2 1.2282783E-1 -4.3349935E+4 -2.7623756E+2 2.691769E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000S2O4-2 + 1.000H+ = HS2O4-
|
|
-llnl_gamma 3.6
|
|
log_k 2.500
|
|
delta_h 3.818 #kJ/mol #Internal calculation
|
|
-analytic 7.6786272E+2 1.233539E-1 -4.3511107E+4 -2.7760873E+2 2.7308934E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
4.000HS- + 2.000Sb(OH)3 + 3.000H+ = HSb2S4- + 6.000H2O
|
|
-llnl_gamma 3.6
|
|
log_k 53.020
|
|
delta_h -302.105 #kJ/mol #Internal calculation
|
|
-analytic 2.1999422E+3 3.6360416E-1 -1.0258034E+5 -8.0392889E+2 6.9332366E+6
|
|
#References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app;
|
|
|
|
1.000Sc+3 + 2.000H2O = HScO2 + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -16.093
|
|
delta_h 164.044 #kJ/mol #97asho/sas
|
|
-analytic 2.3904793E+2 3.5869316E-2 -1.3955722E+4 -8.6703197E+1 -3.9880228E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000SeO3-2 + 1.000H+ = HSeO3-
|
|
-llnl_gamma 3.6
|
|
log_k 7.286
|
|
delta_h -5.164 #kJ/mol #97asho/sas
|
|
-analytic 7.9467131E+2 1.2793593E-1 -4.4347776E+4 -2.8632355E+2 2.8181688E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000SeO4-2 + 1.000H+ = HSeO4-
|
|
-llnl_gamma 3.6
|
|
log_k 1.906
|
|
delta_h 17.563 #kJ/mol #97asho/sas
|
|
-analytic 7.9284838E+2 1.2748511E-1 -4.5583015E+4 -2.8606089E+2 2.824407E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H4SiO4 = HSiO3- + 1.000H2O + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -9.820
|
|
delta_h 29.249 #kJ/mol #Internal calculation
|
|
-analytic -5.8169918E+2 -9.3104803E-2 3.1944291E+4 2.0897781E+2 -2.1872745E+6
|
|
#References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Sn+2 + 2.000H2O = HSnO2- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -16.584
|
|
delta_h 69.671 #kJ/mol #97asho/sas
|
|
-analytic -3.9144694E+2 -6.7898528E-2 1.9173616E+4 1.4087015E+2 -1.5801606E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000SO3-2 + 1.000H+ = HSO3-
|
|
-llnl_gamma 4.2
|
|
log_k 7.170
|
|
delta_h 3.667 #kJ/mol #Internal calculation
|
|
-analytic 8.1037722E+2 1.3067662E-1 -4.5360157E+4 -2.9173848E+2 2.8319756E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000SO4-2 + 1.000H+ = HSO4-
|
|
-llnl_gamma 3.6
|
|
log_k 1.982
|
|
delta_h 22.440 #kJ/mol #04chi
|
|
-analytic 8.1698382E+2 1.2949891E-1 -4.7437648E+4 -2.9402229E+2 2.936438E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Tl+3 + 2.000H2O = HTlO2 + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.299
|
|
delta_h 100.748 #kJ/mol #Internal calculation
|
|
-analytic 9.9888596E+1 1.1922988E-2 1.2344241E+2 -3.7092635E+1 -1.366605E+6
|
|
#References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000U+4 + 2.000H2O = HUO2+ + 3.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -4.988
|
|
delta_h 96.790 #kJ/mol #97bsho/sas
|
|
-analytic 3.7763911E+2 6.0546026E-2 -2.1655184E+4 -1.3557093E+2 6.5908462E+5
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000U+3 + 2.000H2O = HUO2 + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -21.187
|
|
delta_h 202.729 #kJ/mol #97bsho/sas
|
|
-analytic 1.6270551E+2 2.2126769E-2 -1.0494373E+4 -5.8842701E+1 -8.613161E+5
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000U+4 + 3.000H2O = HUO3- + 5.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -16.553
|
|
delta_h 104.650 #kJ/mol #97bsho/sas
|
|
-analytic 1.1664748E+2 1.3247146E-2 -1.3203135E+4 -4.0068079E+1 5.5818665E+5
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000UO2+2 + 2.000H2O = HUO4- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -19.230
|
|
delta_h 72.175 #kJ/mol #97bsho/sas
|
|
-analytic -3.6154088E+2 -6.0676487E-2 1.5385894E+4 1.3001175E+2 -1.1475142E+6
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000VO2+ + 2.000H2O = HVO4-2 + 3.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -15.140
|
|
delta_h 62.301 #kJ/mol #97asho/sas
|
|
-analytic -6.7215301E+2 -1.1795716E-1 2.5803944E+4 2.4962048E+2 -1.0698044E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000WO4-2 + 1.000H+ = HWO4-
|
|
-llnl_gamma 3.6
|
|
log_k 3.592
|
|
delta_h 6.318 #kJ/mol #97asho/sas
|
|
-analytic 7.945168E+2 1.2806601E-1 -4.5447682E+4 -2.8660276E+2 2.889406E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Y+3 + 2.000H2O = HYO2 + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -25.989
|
|
delta_h 221.152 #kJ/mol #97asho/sas
|
|
-analytic 2.2343843E+2 3.3226388E-2 -1.5839398E+4 -8.1108271E+1 -4.8987062E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Zn+2 + 2.000H2O = HZnO2- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -27.733
|
|
delta_h 129.317 #kJ/mol #97asho/sas
|
|
-analytic -2.0589946E+2 -4.077416E-2 2.6672542E+3 7.550614E+1 -4.8517335E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000ZrO+2 + 1.000H2O = HZrO2+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -3.355
|
|
delta_h 2.913 #kJ/mol #97asho/sas
|
|
-analytic 3.3229766E+2 5.1263668E-2 -2.2024667E+4 -1.1941399E+2 1.6370614E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000ZrO+2 + 2.000H2O = HZrO3- + 3.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -14.261
|
|
delta_h 65.514 #kJ/mol #97asho/sas
|
|
-analytic -1.6630156E+2 -3.272255E-2 3.0769802E+3 6.2127795E+1 -2.0038157E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cl- + 1.000In+3 = InCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 3.272
|
|
delta_h -5.365 #kJ/mol #97sve/sho
|
|
-analytic 8.0564837E+2 1.3148067E-1 -4.3715489E+4 -2.9287838E+2 2.6449128E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000F- + 1.000In+3 = InF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.640
|
|
delta_h 26.865 #kJ/mol #97sve/sho
|
|
-analytic 8.9887702E+2 1.4513202E-1 -4.9986462E+4 -3.2432121E+2 2.9031806E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000In+3 + 1.000H2O = InO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -7.827
|
|
delta_h 99.167 #kJ/mol #97asho/sas
|
|
-analytic 1.7999311E+2 2.9477107E-2 -1.0184982E+4 -6.5096607E+1 -1.2182196E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000In+3 + 2.000H2O = InO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -22.030
|
|
delta_h 182.466 #kJ/mol #97asho/sas
|
|
-analytic -2.150161E+2 -3.8048615E-2 6.808841E+3 7.9720336E+1 -1.4018343E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000In+3 + 1.000H2O = InOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -4.015
|
|
delta_h 24.892 #kJ/mol #97asho/sas
|
|
-analytic 1.7814483E+2 2.6786047E-2 -1.1493918E+4 -6.4158541E+1 6.3654978E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Al+3 + 1.000K+ + 2.000H2O = KAlO2 + 4.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -24.221
|
|
delta_h 211.675 #kJ/mol #97apok/hel
|
|
-analytic 6.0684613E+2 9.1807292E-2 -4.2432883E+4 -2.1638658E+2 1.7170012E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 97apok/hel; S°: 97apok/hel; Cp: 97apok/hel; V°: 97apok/hel;
|
|
|
|
1.000H2AsO4- + 1.000K+ = KAsO4-2 + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -14.003
|
|
delta_h 119.613 #kJ/mol #Internal calculation
|
|
-analytic -2.515611E+2 -5.1873631E-2 1.000985E+4 9.4532457E+1 -1.2856881E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Br- + 1.000K+ = KBr
|
|
-llnl_gamma 3.4
|
|
log_k -1.746
|
|
delta_h 14.345 #kJ/mol #97sve/sho
|
|
-analytic 6.5419032E+2 1.0441276E-1 -3.6116409E+4 -2.3806473E+2 2.0573592E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cl- + 1.000K+ = KCl
|
|
-llnl_gamma 3.4
|
|
log_k -0.500
|
|
delta_h 4.180 #kJ/mol #97smi/mar
|
|
-analytic 7.8954676E+2 1.2046966E-1 -4.47224E+4 -2.855347E+2 2.7176383E+6
|
|
#References = LogK/DGf: 97smi/mar; DHf/DHr: 97smi/mar; S°: Internal calculation; Cp: 97bpok/hel; V°: 97bpok/hel;
|
|
|
|
1.000H2AsO4- + 1.000K+ = KH2AsO4
|
|
-llnl_gamma 3.4
|
|
log_k -1.903
|
|
delta_h 13.748 #kJ/mol #Internal calculation
|
|
-analytic 6.6054908E+2 1.0281308E-1 -3.6977052E+4 -2.3970567E+2 2.13804E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000K+ + 1.000H2PO4- = KH2PO4
|
|
-llnl_gamma 3.4
|
|
log_k 0.440
|
|
#References = LogK/DGf: 97smi/mar;
|
|
#References = LogK/DGf: 97smi/mar; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000K+ = KHAsO4- + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -6.434
|
|
delta_h 9.920 #kJ/mol #Internal calculation
|
|
-analytic 1.467403E+2 1.7322199E-2 -8.6602186E+3 -5.4068689E+1 3.9976957E+5
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000K+ + 1.000H2PO4- = KHPO4- + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -6.432
|
|
delta_h 31.590 #kJ/mol #97smi/mar
|
|
-analytic 8.4152863E+2 1.2701334E-1 -4.7518341E+4 -3.0549548E+2 2.6202474E+6
|
|
#References = LogK/DGf: 89mar/smi; DHf/DHr: 97smi/mar; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000I- + 1.000K+ = KI
|
|
-llnl_gamma 3.4
|
|
log_k -1.606
|
|
delta_h 8.560 #kJ/mol #97sve/sho
|
|
-analytic 6.1044268E+2 9.8874428E-2 -3.3332375E+4 -2.2276147E+2 1.9092241E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000K+ + 1.000H2O = KOH + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -14.460
|
|
delta_h 66.438 #kJ/mol #Internal calculation
|
|
-analytic 1.2132073E+2 1.3166159E-2 -1.0189264E+4 -4.4122918E+1 3.243138E+5
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97apok/hel; Cp: 97apok/hel; V°: 97apok/hel;
|
|
|
|
1.000K+ + 2.000H2PO4- = KP2O7-3 + 1.000H2O + 2.000H+
|
|
-llnl_gamma 6.7
|
|
log_k -15.710
|
|
delta_h 39.592 #kJ/mol #76smi/mar
|
|
-analytic 1.6898717E+3 2.6082183E-1 -9.4815762E+4 -6.1661111E+2 5.3719684E+6
|
|
#References = LogK/DGf: 76smi/mar; DHf/DHr: 76smi/mar; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000K+ + 1.000H2PO4- = KPO4-2 + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -18.260
|
|
#References = LogK/DGf: 97smi/mar;
|
|
#References = LogK/DGf: 97smi/mar; V°: Default value;
|
|
|
|
1.000K+ + 1.000SO4-2 = KSO4-
|
|
-llnl_gamma 3.6
|
|
log_k 0.880
|
|
delta_h 2.949 #kJ/mol #Internal calculation
|
|
-analytic 9.1525391E+2 1.4348835E-1 -5.125381E+4 -3.3151921E+2 3.1178337E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cl- + 1.000La+3 = LaCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.321
|
|
delta_h 14.100 #kJ/mol #95haa/sho
|
|
-analytic 8.1635365E+2 1.3260405E-1 -4.6231541E+4 -2.9594009E+2 2.824797E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000La+3 = LaCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.018
|
|
delta_h 19.241 #kJ/mol #95haa/sho
|
|
-analytic 1.5772337E+3 2.5601855E-1 -8.7259189E+4 -5.7351591E+2 5.1747829E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000La+3 = LaCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.356
|
|
delta_h 12.158 #kJ/mol #95haa/sho
|
|
-analytic 2.2943871E+3 3.7167207E-1 -1.2361589E+5 -8.3685781E+2 7.0939249E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000La+3 = LaCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.768
|
|
delta_h -7.980 #kJ/mol #95haa/sho
|
|
-analytic 2.1478116E+3 3.4713391E-1 -1.126144E+5 -7.8597892E+2 6.2657917E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000La+3 = LaCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -3.195
|
|
delta_h -1.369 #kJ/mol #95haa/sho
|
|
-analytic 8.8070388E+2 1.3716955E-1 -4.6016534E+4 -3.225356E+2 2.456756E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000F- + 1.000La+3 = LaF+2
|
|
-llnl_gamma 5.7
|
|
log_k 3.895
|
|
delta_h 26.413 #kJ/mol #95haa/sho
|
|
-analytic 9.0882E+2 1.4587324E-1 -5.1579534E+4 -3.2743946E+2 3.0943374E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000F- + 1.000La+3 = LaF2+
|
|
-llnl_gamma 4.1
|
|
log_k 6.765
|
|
delta_h 19.514 #kJ/mol #95haa/sho
|
|
-analytic 1.7394221E+3 2.7840438E-1 -9.6090191E+4 -6.2946552E+2 5.7065757E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000F- + 1.000La+3 = LaF3
|
|
-llnl_gamma 3.4
|
|
log_k 8.828
|
|
delta_h -0.995 #kJ/mol #95haa/sho
|
|
-analytic 2.5428954E+3 4.068631E-1 -1.3668427E+5 -9.2391198E+2 7.9317093E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000F- + 1.000La+3 = LaF4-
|
|
-llnl_gamma 3.6
|
|
log_k 10.524
|
|
delta_h -41.617 #kJ/mol #95haa/sho
|
|
-analytic 2.515919E+3 3.9700172E-1 -1.3225007E+5 -9.1569753E+2 7.6129792E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000La+3 + 1.000H2PO4- = LaH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.330
|
|
delta_h -7.975 #kJ/mol #95haa/sho
|
|
-analytic 8.4941487E+2 1.3470872E-1 -4.8690076E+4 -3.0739148E+2 3.1716234E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000La+3 = LaHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 2.009
|
|
delta_h 6.972 #kJ/mol #95haa/sho
|
|
-analytic 8.6124708E+2 1.3701977E-1 -4.9647011E+4 -3.1083645E+2 3.1620088E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000La+3 + 1.000NO3- = LaNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.581
|
|
delta_h -29.415 #kJ/mol #95haa/sho
|
|
-analytic 7.7848412E+2 1.2273477E-1 -4.3906254E+4 -2.8300578E+2 2.9375218E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000La+3 + 1.000H2O = LaO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -18.162
|
|
delta_h 159.159 #kJ/mol #95haa/sho
|
|
-analytic 2.0014934E+2 3.1719093E-2 -1.5018625E+4 -7.183422E+1 3.1418007E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000La+3 + 2.000H2O = LaO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -40.795
|
|
delta_h 298.184 #kJ/mol #95haa/sho
|
|
-analytic -2.1961504E+2 -3.9453937E-2 1.8528912E+3 8.1546283E+1 -1.5478704E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000La+3 + 2.000H2O = LaO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -27.894
|
|
delta_h 237.270 #kJ/mol #95haa/sho
|
|
-analytic 1.9825776E+2 2.7576247E-2 -1.5440239E+4 -7.1245745E+1 -5.5951918E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000La+3 + 1.000H2O = LaOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -8.633
|
|
delta_h 85.057 #kJ/mol #95haa/sho
|
|
-analytic 1.4427123E+2 2.1295472E-2 -1.1155726E+4 -5.0627263E+1 3.0552209E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000La+3 + 1.000SO4-2 = LaSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.723
|
|
delta_h 18.143 #kJ/mol #95haa/sho
|
|
-analytic 1.6377756E+3 2.5721268E-1 -8.890972E+4 -5.9382155E+2 5.0523888E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Cl- + 1.000Li+ = LiCl
|
|
-llnl_gamma 3.4
|
|
log_k -1.499
|
|
delta_h 4.704 #kJ/mol #97sve/sho
|
|
-analytic 7.6755332E+2 1.2376014E-1 -4.224031E+4 -2.7980405E+2 2.4961471E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Li+ + 1.000H2O = LiOH + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -13.642
|
|
delta_h 56.014 #kJ/mol #97asho/sas
|
|
-analytic 9.6654044E+1 1.3349364E-2 -7.2486634E+3 -3.685422E+1 1.0932062E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cl- + 1.000Lu+3 = LuCl+2
|
|
-llnl_gamma 5.7
|
|
log_k -0.045
|
|
delta_h 13.572 #kJ/mol #95haa/sho
|
|
-analytic 8.3065237E+2 1.3557724E-1 -4.7247739E+4 -3.0126799E+2 2.9172646E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Lu+3 = LuCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.604
|
|
delta_h 15.727 #kJ/mol #95haa/sho
|
|
-analytic 1.61013E+3 2.6205259E-1 -8.9751532E+4 -5.855227E+2 5.4225904E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Lu+3 = LuCl3
|
|
-llnl_gamma 3.4
|
|
log_k -1.162
|
|
delta_h 3.412 #kJ/mol #95haa/sho
|
|
-analytic 2.3529382E+3 3.8350344E-1 -1.2778237E+5 -8.585713E+2 7.5222257E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Lu+3 = LuCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -1.721
|
|
delta_h -25.993 #kJ/mol #95haa/sho
|
|
-analytic 2.2401685E+3 3.6276615E-1 -1.1968456E+5 -8.1943287E+2 7.0233821E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Lu+3 = LuCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.023
|
|
delta_h -11.057 #kJ/mol #95haa/sho
|
|
-analytic 9.2406689E+2 1.4413187E-1 -4.7864787E+4 -3.3852998E+2 2.5909955E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000F- + 1.000Lu+3 = LuF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.848
|
|
delta_h 25.714 #kJ/mol #95haa/sho
|
|
-analytic 9.2300257E+2 1.4904467E-1 -5.2423005E+4 -3.3238037E+2 3.1725407E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000F- + 1.000Lu+3 = LuF2+
|
|
-llnl_gamma 4.1
|
|
log_k 8.524
|
|
delta_h 14.338 #kJ/mol #95haa/sho
|
|
-analytic 1.7748138E+3 2.8514135E-1 -9.8383874E+4 -6.4182295E+2 5.9403278E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000F- + 1.000Lu+3 = LuF3
|
|
-llnl_gamma 3.4
|
|
log_k 11.219
|
|
delta_h -12.652 #kJ/mol #95haa/sho
|
|
-analytic 2.6041361E+3 4.1869459E-1 -1.406988E+5 -9.4562601E+2 8.3600163E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000F- + 1.000Lu+3 = LuF4-
|
|
-llnl_gamma 3.6
|
|
log_k 13.456
|
|
delta_h -64.092 #kJ/mol #95haa/sho
|
|
-analytic 2.6641709E+3 4.2131603E-1 -1.418005E+5 -9.6851587E+2 8.5160108E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Lu+3 + 1.000H2PO4- = LuH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.183
|
|
delta_h -13.375 #kJ/mol #95haa/sho
|
|
-analytic 8.6590697E+2 1.3785867E-1 -4.9658582E+4 -3.1367006E+2 3.2788681E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Lu+3 = LuHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.936
|
|
delta_h 1.528 #kJ/mol #95haa/sho
|
|
-analytic 8.6599778E+2 1.3847545E-1 -4.9953575E+4 -3.1285827E+2 3.23073E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Lu+3 + 1.000NO3- = LuNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.581
|
|
delta_h -41.640 #kJ/mol #95haa/sho
|
|
-analytic 8.0197507E+2 1.2673942E-1 -4.5031902E+4 -2.9209596E+2 3.0782898E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Lu+3 + 1.000H2O = LuO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -15.303
|
|
delta_h 136.978 #kJ/mol #95haa/sho
|
|
-analytic 2.0718473E+2 3.3444629E-2 -1.4940859E+4 -7.4445172E+1 1.6552843E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Lu+3 + 2.000H2O = LuO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -31.926
|
|
delta_h 238.950 #kJ/mol #95haa/sho
|
|
-analytic -2.031016E+2 -3.5822636E-2 2.3596072E+3 7.5853834E+1 -1.2225828E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Lu+3 + 2.000H2O = LuO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -23.863
|
|
delta_h 207.023 #kJ/mol #95haa/sho
|
|
-analytic 2.7472209E+2 4.1467291E-2 -1.9503709E+4 -9.8921901E+1 -6.7283733E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Lu+3 + 1.000H2O = LuOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -7.607
|
|
delta_h 74.709 #kJ/mol #95haa/sho
|
|
-analytic 1.6163537E+2 2.4554978E-2 -1.2175062E+4 -5.6942191E+1 4.5975122E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Lu+3 + 1.000SO4-2 = LuSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.649
|
|
delta_h 19.185 #kJ/mol #95haa/sho
|
|
-analytic 1.6468472E+3 2.6057252E-1 -8.9434909E+4 -5.9741623E+2 5.0976962E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Mg+2 = Mg(HCO3)+
|
|
-llnl_gamma 4.1
|
|
log_k 1.038
|
|
delta_h 1.841 #kJ/mol #Internal calculation
|
|
-analytic 8.7719553E+2 1.3812548E-1 -5.0324925E+4 -3.170514E+2 3.1978527E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 74rea/lan; Cp: 95sho/kor; V°: 95sho/kor;
|
|
|
|
4.000Mg+2 + 4.000H2O = Mg4(OH)4+4 + 4.000H+
|
|
-llnl_gamma 11.6
|
|
log_k -39.749
|
|
delta_h 229.186 #kJ/mol #Internal calculation
|
|
-analytic 1.2606143E+3 2.0941563E-1 -8.0065384E+4 -4.6056936E+2 4.0347961E+6
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 99yun/glu; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Mg+2 = MgAsO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -12.735
|
|
delta_h 99.689 #kJ/mol #Internal calculation
|
|
-analytic 2.7241155E+2 3.5613036E-2 -1.6231778E+4 -9.8493595E+1 2.1275556E+5
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Cl- + 1.000Mg+2 = MgCl+
|
|
-llnl_gamma 4.1
|
|
log_k 0.350
|
|
delta_h -1.729 #kJ/mol #Internal calculation
|
|
-analytic 8.3625242E+2 1.3422618E-1 -4.6833475E+4 -3.0373291E+2 2.9090889E+6
|
|
#References = LogK/DGf: 96bou; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000HCO3- + 1.000Mg+2 = MgCO3 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -7.347
|
|
delta_h 23.505 #kJ/mol #Internal calculation
|
|
-analytic 7.7698275E+2 1.265144E-1 -4.0717861E+4 -2.8627787E+2 2.0351522E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 74rea/lan; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000F- + 1.000Mg+2 = MgF+
|
|
-llnl_gamma 4.1
|
|
log_k 1.149
|
|
delta_h 3.388 #kJ/mol #97sve/sho
|
|
-analytic 9.3050785E+2 1.4739513E-1 -5.2881126E+4 -3.3671118E+2 3.30941E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO3- + 1.000Mg+2 = MgH2AsO3+
|
|
-llnl_gamma 4.1
|
|
log_k 1.674
|
|
delta_h -21.477 #kJ/mol #Internal calculation
|
|
-analytic 6.4358882E+2 9.5687821E-2 -3.3449863E+4 -2.3423757E+2 1.8981269E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Mg+2 = MgH2AsO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.512
|
|
delta_h -15.687 #kJ/mol #Internal calculation
|
|
-analytic 8.3847543E+2 1.2866732E-1 -4.6573522E+4 -3.0382345E+2 2.9045112E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Mg+2 + 1.000H2PO4- = MgH2PO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.170
|
|
delta_h 13.510 #kJ/mol #96bou
|
|
-analytic 9.8988011E+2 1.5251379E-1 -5.3902191E+4 -3.5863879E+2 3.0254907E+6
|
|
#References = LogK/DGf: 81tur/whi; DHf/DHr: 96bou; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Mg+2 = MgHAsO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.539
|
|
delta_h 10.494 #kJ/mol #Internal calculation
|
|
-analytic 9.2236978E+2 1.4553222E-1 -4.9509641E+4 -3.3734861E+2 2.7116164E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Mg+2 + 1.000H2PO4- = MgHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.303
|
|
delta_h 16.152 #kJ/mol #76smi/mar
|
|
-analytic 9.8487047E+2 1.5251379E-1 -5.4040192E+4 -3.5863879E+2 3.0254907E+6
|
|
#References = LogK/DGf: 63tay/fra, 76smi/mar; DHf/DHr: 76smi/mar; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Mg+2 + 1.000H2O = MgOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -11.680
|
|
delta_h 62.834 #kJ/mol #Internal calculation
|
|
-analytic 2.2363765E+2 3.1867527E-2 -1.6730585E+4 -8.0256794E+1 8.7882059E+5
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Mg+2 + 2.000H2PO4- = MgP2O7-2 + 1.000H2O + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -10.610
|
|
delta_h 45.031 #kJ/mol #76smi/mar
|
|
-analytic 1.8398416E+3 2.8632228E-1 -1.0242809E+5 -6.6975443E+2 5.7772117E+6
|
|
#References = LogK/DGf: 76smi/mar; DHf/DHr: 76smi/mar; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Mg+2 + 1.000H2PO4- = MgPO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -14.710
|
|
delta_h 31.170 #kJ/mol #96bou
|
|
-analytic 1.0921013E+3 1.6933809E-1 -6.1181385E+4 -4.0019842E+2 3.3929554E+6
|
|
#References = LogK/DGf: 81tur/whi; DHf/DHr: 96bou; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Mg+2 + 1.000SO4-2 = MgSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.230
|
|
delta_h 5.860 #kJ/mol #76smi/mar
|
|
-analytic 1.692301E+3 2.6688413E-1 -9.1846155E+4 -6.1481292E+2 5.3092016E+6
|
|
#References = LogK/DGf: 76smi/mar; DHf/DHr: 76smi/mar; S°: Internal calculation; Cp: 97mcc/sho; V°: 97mcc/sho;
|
|
|
|
1.000H2AsO4- + 1.000Mn+2 = MnAsO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -12.330
|
|
delta_h 78.986 #kJ/mol #Internal calculation
|
|
-analytic 2.3868013E+2 3.2373586E-2 -1.3286951E+4 -8.778006E+1 9.8539255E+4
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Cl- + 1.000Mn+2 = MnCl+
|
|
-llnl_gamma 4.1
|
|
log_k -0.126
|
|
delta_h 19.022 #kJ/mol #97sve/sho
|
|
-analytic 8.5360667E+2 1.3944842E-1 -4.8025035E+4 -3.0980515E+2 2.8766051E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000F- + 1.000Mn+2 = MnF+
|
|
-llnl_gamma 4.1
|
|
log_k 0.920
|
|
delta_h 2.479 #kJ/mol #97sve/sho
|
|
-analytic 8.8233543E+2 1.4187997E-1 -4.9330737E+4 -3.2022106E+2 3.0317507E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO4- + 1.000Mn+2 = MnH2AsO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.006
|
|
delta_h -2.373 #kJ/mol #Internal calculation
|
|
-analytic 8.5233388E+2 1.346871E-1 -4.7596439E+4 -3.0908784E+2 2.9309768E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Mn+2 + 1.000H2PO4- = MnH2PO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.343
|
|
#References = LogK/DGf: 79mat/spo;
|
|
#References = LogK/DGf: 79mat/spo; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Mn+2 = MnHAsO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.065
|
|
delta_h 9.357 #kJ/mol #Internal calculation
|
|
-analytic 8.9133184E+2 1.4178927E-1 -4.7598277E+4 -3.2624556E+2 2.5998848E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Mn+2 + 1.000H2PO4- = MnHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.632
|
|
#References = LogK/DGf: 79mat/spo;
|
|
#References = LogK/DGf: 79mat/spo; V°: Default value;
|
|
|
|
1.000Mn+2 + 1.000H2O = MnO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -22.194
|
|
delta_h 122.917 #kJ/mol #97asho/sas
|
|
-analytic 2.4166991E+2 3.9150052E-2 -1.7430046E+4 -8.9673142E+1 4.2802115E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Mn+2 + 2.000H2O = MnO2-2 + 4.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -48.272
|
|
delta_h 235.076 #kJ/mol #97asho/sas
|
|
-analytic -1.0584707E+3 -1.7468961E-1 4.7267384E+4 3.8252863E+2 -3.804217E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Mn+2 + 1.000H2O = MnOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -10.612
|
|
delta_h 60.303 #kJ/mol #97asho/sas
|
|
-analytic 1.7784334E+2 2.6842082E-2 -1.2422964E+4 -6.4772698E+1 4.8751735E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Mn+2 + 1.000H2PO4- = MnPO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -12.344
|
|
#References = LogK/DGf: 79mat/spo;
|
|
#References = LogK/DGf: 79mat/spo; V°: Default value;
|
|
|
|
1.000Mn+2 + 1.000SO4-2 = MnSO4
|
|
-llnl_gamma 3.4
|
|
log_k 1.993
|
|
delta_h 9.555 #kJ/mol #97sve/sho
|
|
-analytic 1.6669991E+3 2.6400995E-1 -9.0477791E+4 -6.0575368E+2 5.2128104E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.33333333333333NH3 + 0.333333333333333N2 + 1.000H+ = N2H5+
|
|
-llnl_gamma 4.1
|
|
log_k -19.616
|
|
delta_h 104.619 #kJ/mol #97asho/sas
|
|
-analytic 5.8563295E+1 -2.6409657E-3 -9.6380335E+3 -1.9202785E+1 2.1777613E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.33333333333333NH3 + 0.333333333333333N2 + 2.000H+ = N2H6+2
|
|
-llnl_gamma 5.7
|
|
log_k -20.643
|
|
delta_h 95.382 #kJ/mol #97asho/sas
|
|
-analytic -9.7147098E+1 -2.8901066E-2 -1.4784198E+3 3.7243413E+1 -1.8458041E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
0.666666666666667N2 + 0.666666666666667NO2- + 0.666666666666667H+ = N2O + 0.333333333333333H2O
|
|
-llnl_gamma 3.4
|
|
log_k -7.655
|
|
delta_h 42.826 #kJ/mol #01sch/sho
|
|
-analytic 1.8605674E+2 3.919814E-2 -9.6413622E+3 -7.1070532E+1 2.4875632E+5
|
|
#References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho;
|
|
|
|
0.666666666666667N2 + 0.666666666666667NO2- + 0.666666666666667H2O = N2O2-2 + 1.33333333333333H+
|
|
-llnl_gamma 4.7
|
|
log_k -53.671
|
|
delta_h 257.189 #kJ/mol #97asho/sas
|
|
-analytic -1.0364412E+3 -1.6896426E-1 4.4624122E+4 3.7375669E+2 -3.676592E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000Na+ + 2.000H2PO4- = Na2P2O7-2 + 1.000H2O + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -13.620
|
|
#References = LogK/DGf: 76smi/mar;
|
|
#References = LogK/DGf: 76smi/mar; V°: Default value;
|
|
|
|
1.000Al+3 + 1.000Na+ + 2.000H2O = NaAlO2 + 4.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -23.628
|
|
delta_h 190.348 #kJ/mol #95pok/hel
|
|
-analytic 6.5459073E+2 1.0393137E-1 -4.4810329E+4 -2.3513564E+2 2.0371086E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95pok/hel; S°: 95pok/hel; Cp: 95pok/hel; V°: 95pok/hel;
|
|
|
|
1.000H2AsO4- + 1.000Na+ = NaAsO4-2 + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -13.867
|
|
delta_h 87.299 #kJ/mol #Internal calculation
|
|
-analytic -3.4933501E+2 -7.1708394E-2 1.6125283E+4 1.2933658E+2 -1.5353401E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000B(OH)3 + 1.000Na+ + 1.000H2O = NaB(OH)4 + 1.000H+
|
|
-llnl_gamma 3.0
|
|
log_k -8.976
|
|
delta_h 13.466 #kJ/mol #95pok/sch
|
|
-analytic -5.2102045E+1 -2.7905158E-5 4.0380388E+3 1.395685E+1 -4.3955612E+5
|
|
#References = LogK/DGf: 95pok/sch; DHf/DHr: Internal calculation; S°: 95pok/sch; Cp: 95pok/sch; V°: 95pok/sch;
|
|
|
|
1.000Br- + 1.000Na+ = NaBr
|
|
-llnl_gamma 3.4
|
|
log_k -1.369
|
|
delta_h 8.228 #kJ/mol #97sve/sho
|
|
-analytic 7.7684069E+2 1.2166448E-1 -4.3187848E+4 -2.8215454E+2 2.5371411E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000HCO3- + 1.000Na+ = NaCO3- + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -9.057
|
|
delta_h 32.451 #kJ/mol #Internal calculation
|
|
-analytic 8.7001165E+2 1.1462014E-1 -4.8239424E+4 -3.1452097E+2 2.3836603E+6
|
|
#References = LogK/DGf: 90nor/plu; DHf/DHr: Internal calculation; S°: 13ste/ben; V°: Default value;
|
|
|
|
1.000F- + 1.000Na+ = NaF
|
|
-llnl_gamma 3.4
|
|
log_k -0.970
|
|
delta_h 7.196 #kJ/mol #97sve/sho
|
|
-analytic 8.3493341E+2 1.3086197E-1 -4.6137586E+4 -3.0331405E+2 2.6985114E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO3- + 1.000Na+ = NaH2AsO3
|
|
-llnl_gamma 3.4
|
|
log_k 0.273
|
|
delta_h -8.134 #kJ/mol #Internal calculation
|
|
-analytic 5.4981405E+2 8.1313023E-2 -2.8352819E+4 -2.0026664E+2 1.4985896E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Na+ = NaH2AsO4
|
|
-llnl_gamma 3.4
|
|
log_k -1.788
|
|
delta_h 9.245 #kJ/mol #Internal calculation
|
|
-analytic 7.4433985E+2 1.1409501E-1 -4.2065553E+4 -2.6964707E+2 2.5038958E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Na+ + 1.000H2PO4- = NaH2PO4
|
|
-llnl_gamma 3.4
|
|
log_k 0.410
|
|
#References = LogK/DGf: 97smi/mar;
|
|
#References = LogK/DGf: 97smi/mar; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Na+ = NaHAsO4- + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -6.298
|
|
delta_h 7.794 #kJ/mol #Internal calculation
|
|
-analytic 1.8758022E+2 2.0070238E-2 -1.1257068E+4 -6.8100842E+1 5.6937754E+5
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000HCO3- + 1.000Na+ = NaHCO3
|
|
-llnl_gamma 3.4
|
|
log_k -0.247
|
|
delta_h 11.979 #kJ/mol #Internal calculation
|
|
-analytic 7.8588954E+2 1.1462014E-1 -4.3192767E+4 -2.8380464E+2 2.3836603E+6
|
|
#References = LogK/DGf: 90nor/plu; DHf/DHr: Internal calculation; S°: 13ste/ben; V°: Default value;
|
|
|
|
1.000Na+ + 2.000H2PO4- = NaHP2O7-2 + 1.000H2O + 1.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -7.010
|
|
#References = LogK/DGf: 76smi/mar;
|
|
#References = LogK/DGf: 76smi/mar; V°: Default value;
|
|
|
|
1.000Na+ + 1.000H2PO4- = NaHPO4- + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -6.340
|
|
delta_h 34.940 #kJ/mol #97smi/mar
|
|
-analytic 8.9614224E+2 1.3295877E-1 -5.0616671E+4 -3.2470053E+2 2.7641904E+6
|
|
#References = LogK/DGf: 97smi/mar; DHf/DHr: 97smi/mar; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000I- + 1.000Na+ = NaI
|
|
-llnl_gamma 3.4
|
|
log_k -1.553
|
|
delta_h 6.654 #kJ/mol #97sve/sho
|
|
-analytic 6.9652771E+2 1.1039589E-1 -3.8648051E+4 -2.5339188E+2 2.278602E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Na+ + 1.000H2O = NaOH + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -14.750
|
|
delta_h 53.395 #kJ/mol #Internal calculation
|
|
-analytic 5.4228076E+2 8.188068E-2 -3.2983502E+4 -1.9826056E+2 1.7571455E+6
|
|
#References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 95pok/hel; Cp: 95pok/hel; V°: 95pok/hel;
|
|
|
|
1.000Na+ + 2.000H2PO4- = NaP2O7-3 + 1.000H2O + 2.000H+
|
|
-llnl_gamma 6.7
|
|
log_k -15.520
|
|
delta_h 38.336 #kJ/mol #76smi/mar
|
|
-analytic 1.7437765E+3 2.6676725E-1 -9.7673535E+4 -6.3581617E+2 5.5159114E+6
|
|
#References = LogK/DGf: 76smi/mar; DHf/DHr: 76smi/mar; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Na+ + 1.000H2PO4- = NaPO4-2 + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -18.070
|
|
#References = LogK/DGf: 97smi/mar;
|
|
#References = LogK/DGf: 97smi/mar; V°: Default value;
|
|
|
|
1.000Na+ + 1.000SO4-2 = NaSO4-
|
|
-llnl_gamma 4.5
|
|
log_k 0.936
|
|
delta_h -2.788 #kJ/mol #Internal calculation
|
|
-analytic 9.3587508E+2 1.4438561E-1 -5.3022893E+4 -3.3839769E+2 3.3063928E+6
|
|
#References = LogK/DGf: 95pok/sch; DHf/DHr: Internal calculation; S°: 95pok/sch; Cp: 95pok/sch; V°: 95pok/sch;
|
|
|
|
1.000Cl- + 1.000Nd+3 = NdCl+2
|
|
-llnl_gamma 4.5
|
|
log_k 0.353
|
|
delta_h -9.470 #kJ/mol #Internal calculation
|
|
-analytic 8.1125308E+2 1.3290115E-1 -4.4437392E+4 -2.9596645E+2 2.7440063E+6
|
|
#References = LogK/DGf: 02mig/will; DHf/DHr: Internal calculation; S°: 02mig/will; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Nd+3 = NdCl2+
|
|
-llnl_gamma 4.5
|
|
log_k -2.515
|
|
delta_h 61.356 #kJ/mol #Internal calculation
|
|
-analytic 1.5654601E+3 2.5357963E-1 -8.7419323E+4 -5.6819053E+2 4.9403891E+6
|
|
#References = LogK/DGf: 02mig/will; DHf/DHr: Internal calculation; S°: 02mig/will; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Nd+3 = NdCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.283
|
|
delta_h 14.733 #kJ/mol #95haa/sho
|
|
-analytic 2.2484789E+3 3.638319E-1 -1.1928708E+5 -8.2107854E+2 6.6277119E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Nd+3 = NdCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.695
|
|
delta_h -3.159 #kJ/mol #95haa/sho
|
|
-analytic 1.6636197E+3 2.8151308E-1 -8.1237365E+4 -6.1456822E+2 3.9942372E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Nd+3 = NdCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.609
|
|
delta_h -4.092 #kJ/mol #95haa/sho
|
|
-analytic 7.1585094E+2 1.1644129E-1 -3.5928996E+4 -2.6401133E+2 1.8319437E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000F- + 1.000Nd+3 = NdF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.409
|
|
delta_h 22.486 #kJ/mol #95haa/sho
|
|
-analytic 9.0701022E+2 1.4596845E-1 -5.0799804E+4 -3.2720465E+2 3.0141759E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000F- + 1.000Nd+3 = NdF2+
|
|
-llnl_gamma 4.1
|
|
log_k 7.644
|
|
delta_h 13.371 #kJ/mol #95haa/sho
|
|
-analytic 1.71891E+3 2.7521732E-1 -9.3572659E+4 -6.2275347E+2 5.4656377E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000F- + 1.000Nd+3 = NdF3
|
|
-llnl_gamma 3.4
|
|
log_k 10.000
|
|
delta_h -8.064 #kJ/mol #95haa/sho
|
|
-analytic 2.4963985E+3 3.9902305E-1 -1.3185181E+5 -9.081332E+2 7.4655024E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000F- + 1.000Nd+3 = NdF4-
|
|
-llnl_gamma 3.6
|
|
log_k 11.990
|
|
delta_h -48.613 #kJ/mol #95haa/sho
|
|
-analytic 2.0115814E+3 3.2824721E-1 -9.9239104E+4 -7.3716718E+2 5.2859015E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Nd+3 + 1.000H2PO4- = NdH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.103
|
|
delta_h -5.272 #kJ/mol #95haa/sho
|
|
-analytic 8.4865154E+2 1.3506644E-1 -4.8254648E+4 -3.0743365E+2 3.0893144E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Nd+3 = NdHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.862
|
|
delta_h 9.057 #kJ/mol #95haa/sho
|
|
-analytic 8.6312487E+2 1.3775449E-1 -4.9329757E+4 -3.1183922E+2 3.0885617E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000NO3- + 1.000Nd+3 = NdNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.790
|
|
delta_h -27.851 #kJ/mol #95haa/sho
|
|
-analytic 7.7708742E+2 1.230451E-1 -4.33463E+4 -2.8275768E+2 2.8505013E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Nd+3 + 1.000H2O = NdO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -17.062
|
|
delta_h 154.131 #kJ/mol #95haa/sho
|
|
-analytic 2.1594467E+2 3.4768269E-2 -1.5557677E+4 -7.7628738E+1 7.9528355E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Nd+3 + 2.000H2O = NdO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -37.057
|
|
delta_h 278.717 #kJ/mol #95haa/sho
|
|
-analytic -2.1114089E+2 -3.7481289E-2 2.7207202E+3 7.8285008E+1 -1.5625265E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Nd+3 + 2.000H2O = NdO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -26.355
|
|
delta_h 230.105 #kJ/mol #95haa/sho
|
|
-analytic 1.9658179E+2 2.7624854E-2 -1.4737448E+4 -7.0729978E+1 -5.9797696E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Nd+3 + 1.000H2O = NdOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -8.120
|
|
delta_h 83.126 #kJ/mol #95haa/sho
|
|
-analytic 1.5768478E+2 2.3996887E-2 -1.1745692E+4 -5.5564534E+1 3.4906451E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Nd+3 + 1.000SO4-2 = NdSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.723
|
|
delta_h 19.640 #kJ/mol #95haa/sho
|
|
-analytic 1.6353148E+3 2.5876304E-1 -8.8784595E+4 -5.9319424E+2 5.05476E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000F- + 1.000NO2- + 4.000H+ = NF3 + 2.000H2O
|
|
-llnl_gamma 3.4
|
|
log_k -59.038
|
|
delta_h 398.898 #kJ/mol #01sch/sho
|
|
-analytic 2.9769595E+3 4.7504862E-1 -1.881972E+5 -1.0766255E+3 1.0455912E+7
|
|
#References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho;
|
|
|
|
1.000NH3 + 1.000H+ = NH4+
|
|
-llnl_gamma 2.5
|
|
log_k 9.241
|
|
delta_h -51.750 #kJ/mol #97asho/sas
|
|
-analytic 3.7494579E+1 -1.5452439E-3 -6.956038E+2 -1.1496407E+1 2.6555112E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ni+2 + 4.000CN- = Ni(CN)4-2
|
|
-llnl_gamma 4.7
|
|
log_k 34.083
|
|
delta_h -189.579 #kJ/mol #05gam/bug
|
|
-analytic 3.115726E+3 4.8046959E-1 -1.6103638E+5 -1.1305387E+3 1.0015469E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value;
|
|
|
|
1.000Ni+2 + 5.000CN- = Ni(CN)5-3
|
|
-llnl_gamma 6.7
|
|
log_k 33.337
|
|
delta_h -203.321 #kJ/mol #05gam/bug
|
|
-analytic 3.8659718E+3 5.9560653E-1 -2.0178908E+5 -1.403727E+3 1.2446855E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Ni+2 = NiAsO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -10.665
|
|
delta_h 84.853 #kJ/mol #Internal calculation
|
|
-analytic 2.2480706E+2 2.9293225E-2 -1.2692927E+4 -8.1674962E+1 4.139955E+4
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Cl- + 1.000Ni+2 = NiCl+
|
|
-llnl_gamma 4.1
|
|
log_k 0.151
|
|
delta_h 5.242 #kJ/mol #Internal calculation
|
|
-analytic 7.9676213E+2 1.2939034E-1 -4.4201349E+4 -2.8974155E+2 2.6676555E+6
|
|
#References = LogK/DGf: 05gam/bug; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000HCO3- + 1.000Ni+2 = NiCO3 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -6.056
|
|
#References = LogK/DGf: 05gam/bug;
|
|
#References = LogK/DGf: 05gam/bug; V°: Default value;
|
|
|
|
1.000F- + 1.000Ni+2 = NiF+
|
|
-llnl_gamma 4.1
|
|
log_k 1.501
|
|
delta_h 13.990 #kJ/mol #05gam/bug
|
|
-analytic 8.779514E+2 1.3998177E-1 -4.922259E+4 -3.1775188E+2 2.9480422E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO4- + 1.000Ni+2 = NiH2AsO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.680
|
|
delta_h -9.191 #kJ/mol #Internal calculation
|
|
-analytic 8.0557652E+2 1.2506786E-1 -4.4376704E+4 -2.9209453E+2 2.7044683E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Ni+2 = NiHAsO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.786
|
|
delta_h 12.531 #kJ/mol #Internal calculation
|
|
-analytic 8.954335E+2 1.4271768E-1 -4.7838089E+4 -3.2756746E+2 2.5977277E+6
|
|
#References = LogK/DGf: 05gam/bug; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Ni+2 + 2.000H2PO4- = NiHP2O7- + 1.000H2O + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -3.200
|
|
#References = LogK/DGf: 05gam/bug;
|
|
#References = LogK/DGf: 05gam/bug; V°: Default value;
|
|
|
|
1.000Ni+2 + 1.000H2PO4- = NiHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.091
|
|
#References = LogK/DGf: 05gam/bug;
|
|
#References = LogK/DGf: 05gam/bug; V°: Default value;
|
|
|
|
1.000Ni+2 + 1.000HS- = NiHS+
|
|
-llnl_gamma 4.1
|
|
log_k 5.251
|
|
#References = LogK/DGf: 05gam/bug;
|
|
#References = LogK/DGf: 05gam/bug; V°: Default value;
|
|
|
|
1.000NO3- + 1.000Ni+2 = NiNO3+
|
|
-llnl_gamma 4.1
|
|
log_k 0.551
|
|
#References = LogK/DGf: 05gam/bug;
|
|
#References = LogK/DGf: 05gam/bug; V°: Default value;
|
|
|
|
1.000Ni+2 + 1.000H2O = NiO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -19.500
|
|
delta_h 98.873 #kJ/mol #Internal calculation
|
|
-analytic 3.3919349E+2 5.4537568E-2 -2.3157132E+4 -1.2467759E+2 9.9759929E+5
|
|
#References = LogK/DGf: 12bla; DHf/DHr: Internal calculation; S°: 12coo/oli; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ni+2 + 1.000H2O = NiOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -9.500
|
|
delta_h 35.576 #kJ/mol #Internal calculation
|
|
-analytic 2.1705626E+2 3.3172862E-2 -1.5100461E+4 -7.912071E+1 8.87139E+5
|
|
#References = LogK/DGf: 98ply/zha; DHf/DHr: Internal calculation; S°: 12coo/oli; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Ni+2 + 2.000H2PO4- = NiP2O7-2 + 1.000H2O + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -9.010
|
|
delta_h 8.643 #kJ/mol #Internal calculation
|
|
-analytic 1.8117237E+3 2.8442207E-1 -9.9320159E+4 -6.6151768E+2 5.7309693E+6
|
|
#References = LogK/DGf: 05gam/bug; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value;
|
|
|
|
1.000Ni+2 + 1.000SO4-2 = NiSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.420
|
|
delta_h 10.150 #kJ/mol #05gam/bug
|
|
-analytic 1.7287551E+3 2.7178492E-1 -9.5602329E+4 -6.2662671E+2 5.6741374E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value;
|
|
|
|
0.166666666666667N2 + 0.666666666666667NO2- + 0.666666666666667H+ = NO + 0.333333333333333H2O
|
|
-llnl_gamma 3.4
|
|
log_k -7.261
|
|
delta_h 54.740 #kJ/mol #01sch/sho
|
|
-analytic 5.4973567E+2 8.9332424E-2 -3.4851798E+4 -1.9828458E+2 2.1249305E+6
|
|
#References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho;
|
|
|
|
1.000CN- + 0.500O2 = OCN-
|
|
-llnl_gamma 3.5
|
|
log_k 48.714
|
|
delta_h -290.559 #kJ/mol #97asho/sas
|
|
-analytic -7.4703802E+1 -1.2812911E-2 2.0195988E+4 2.594405E+1 -4.1751971E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H2O = OH- + 1.000H+
|
|
-llnl_gamma 3.5
|
|
log_k -14.001
|
|
delta_h 55.815 #kJ/mol #89cox/wag
|
|
-analytic -7.2302789E+2 -1.159352E-1 3.7292444E+4 2.6126053E+2 -2.4853506E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000H2PO4- = P2O7-4 + 1.000H2O + 2.000H+
|
|
-llnl_gamma 9.6
|
|
log_k -17.811
|
|
delta_h 32.478 #kJ/mol #Internal calculation
|
|
-analytic -1.516313E+3 -2.4488765E-1 8.2037869E+4 5.4735201E+2 -5.1583205E+6
|
|
#References = LogK/DGf: 92gre/fug; DHf/DHr: Internal calculation; S°: 82wag/eva; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000HCO3- + 1.000Pb+2 = Pb(CO3) + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.327
|
|
delta_h 11.685 #kJ/mol #06bla/pia
|
|
-analytic 9.2699314E+2 1.4344292E-1 -5.1261272E+4 -3.3714324E+2 2.9408143E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 06bla/pia; V°: Default value;
|
|
|
|
2.000HCO3- + 1.000Pb+2 = Pb(CO3)2-2 + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -10.524
|
|
#References = LogK/DGf: 06bla/pia;
|
|
#References = LogK/DGf: 06bla/pia; V°: Default value;
|
|
|
|
1.000H2PO4- + 1.000Pb+2 = Pb(H2PO4)+
|
|
-llnl_gamma 4.1
|
|
log_k 1.500
|
|
#References = LogK/DGf: 72anri;
|
|
#References = LogK/DGf: 72anri; V°: Default value;
|
|
|
|
1.000Pb+2 + 2.000HS- = Pb(HS)2
|
|
-llnl_gamma 3.4
|
|
log_k 15.010
|
|
delta_h -65.579 #kJ/mol #Internal calculation
|
|
-analytic 1.6254192E+3 2.5826523E-1 -8.6954701E+4 -5.8916322E+2 5.5187301E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Pb+2 + 3.000HS- = Pb(HS)3-
|
|
-llnl_gamma 3.6
|
|
log_k 16.260
|
|
delta_h -73.330 #kJ/mol #Internal calculation
|
|
-analytic 1.9733495E+3 3.1294736E-1 -1.0667543E+5 -7.1501503E+2 6.8140809E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Pb+2 + 4.000H2O = Pb(OH)4-2 + 4.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -38.899
|
|
delta_h 197.474 #kJ/mol #Internal calculation
|
|
-analytic 4.2315542E+2 3.5447211E-2 -3.179048E+4 -1.5132056E+2 7.4989763E+5
|
|
#References = LogK/DGf: 01per/hef; DHf/DHr: Internal calculation; S°: 97cro; V°: Default value;
|
|
|
|
1.000Pb+2 + 2.000SO4-2 = Pb(SO4)2-2
|
|
-llnl_gamma 4.7
|
|
log_k 3.470
|
|
#References = LogK/DGf: 06bla/pia;
|
|
#References = LogK/DGf: 06bla/pia; V°: Default value;
|
|
|
|
2.000Pb+2 + 1.000H2O = Pb2(OH)+3 + 1.000H+
|
|
-llnl_gamma 8.2
|
|
log_k -7.180
|
|
#References = LogK/DGf: 99lot/och;
|
|
#References = LogK/DGf: 99lot/och; V°: Default value;
|
|
|
|
4.000Pb+2 + 4.000H2O = Pb4(OH)4+4 + 4.000H+
|
|
-llnl_gamma 11.6
|
|
log_k -20.629
|
|
delta_h 82.037 #kJ/mol #Internal calculation
|
|
-analytic 1.239277E+3 1.7918943E-1 -7.1832869E+4 -4.5043386E+2 3.7483522E+6
|
|
#References = LogK/DGf: 99lot/och; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value;
|
|
|
|
6.000Pb+2 + 8.000H2O = Pb6(OH)8+4 + 8.000H+
|
|
-llnl_gamma 11.6
|
|
log_k -42.677
|
|
delta_h 192.157 #kJ/mol #Internal calculation
|
|
-analytic 1.8703337E+3 2.6255071E-1 -1.1146481E+5 -6.7865283E+2 5.4977346E+6
|
|
#References = LogK/DGf: 99lot/och; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Pb+2 = PbAsO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -11.735
|
|
delta_h 95.026 #kJ/mol #Internal calculation
|
|
-analytic 3.5533474E+2 5.2767349E-2 -2.015591E+4 -1.2948412E+2 4.6230102E+5
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Cl- + 1.000Pb+2 = PbCl+
|
|
-llnl_gamma 4.1
|
|
log_k 1.440
|
|
delta_h 4.318 #kJ/mol #Internal calculation
|
|
-analytic 8.6382261E+2 1.4020235E-1 -4.7427426E+4 -3.1399197E+2 2.8304634E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
2.000Cl- + 1.000Pb+2 = PbCl2
|
|
-llnl_gamma 3.4
|
|
log_k 2.000
|
|
delta_h 7.948 #kJ/mol #Internal calculation
|
|
-analytic 1.542624E+3 2.4867269E-1 -8.4545842E+4 -5.6074298E+2 5.0068672E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
3.000Cl- + 1.000Pb+2 = PbCl3-
|
|
-llnl_gamma 3.6
|
|
log_k 1.690
|
|
delta_h 7.811 #kJ/mol #Internal calculation
|
|
-analytic 1.7730074E+3 2.8656961E-1 -9.7270496E+4 -6.4482215E+2 5.7833213E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
4.000Cl- + 1.000Pb+2 = PbCl4-2
|
|
-llnl_gamma 4.7
|
|
log_k 1.400
|
|
delta_h 1.324 #kJ/mol #Internal calculation
|
|
-analytic 1.7059952E+3 2.7716813E-1 -9.3612905E+4 -6.2096366E+2 5.625213E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000F- + 1.000Pb+2 = PbF+
|
|
-llnl_gamma 4.1
|
|
log_k 2.270
|
|
delta_h -4.055 #kJ/mol #Internal calculation
|
|
-analytic 8.713746E+2 1.3980171E-1 -4.7875425E+4 -3.1641945E+2 2.9110628E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
2.000F- + 1.000Pb+2 = PbF2
|
|
-llnl_gamma 3.4
|
|
log_k 3.010
|
|
delta_h -8.880 #kJ/mol #Internal calculation
|
|
-analytic 1.7070384E+3 2.7307904E-1 -9.3362629E+4 -6.2056635E+2 5.6219623E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO3- + 1.000Pb+2 = PbH2AsO3+
|
|
-llnl_gamma 4.1
|
|
log_k 5.172
|
|
delta_h -20.319 #kJ/mol #Internal calculation
|
|
-analytic 7.3145603E+2 1.1407873E-1 -3.7319759E+4 -2.6618318E+2 2.0914473E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Pb+2 = PbH2AsO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.534
|
|
delta_h 6.559 #kJ/mol #Internal calculation
|
|
-analytic 9.3632677E+2 1.4861299E-1 -5.207374E+4 -3.3932581E+2 3.1285417E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2PO4- + 1.000Pb+2 = PbH2PO4+
|
|
-llnl_gamma 4.1
|
|
log_k -1.500
|
|
#References = LogK/DGf: 74nri;
|
|
#References = LogK/DGf: 74nri; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Pb+2 = PbHAsO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.166
|
|
delta_h 11.030 #kJ/mol #Internal calculation
|
|
-analytic 8.6079856E+2 1.3564372E-1 -4.6327577E+4 -3.1465555E+2 2.5397795E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000HCO3- + 1.000Pb+2 = PbHCO3+
|
|
-llnl_gamma 4.1
|
|
log_k 3.443
|
|
#References = LogK/DGf: 89mar/smi;
|
|
#References = LogK/DGf: 89mar/smi; V°: Default value;
|
|
|
|
1.000H2PO4- + 1.000Pb+2 = PbHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.105
|
|
#References = LogK/DGf: 72anri, 76smi/mar;
|
|
#References = LogK/DGf: 72anri, 76smi/mar; V°: Default value;
|
|
|
|
1.000Pb+2 + 1.000H2O = PbO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -16.950
|
|
delta_h 97.823 #kJ/mol #Internal calculation
|
|
-analytic 1.6034879E+2 2.4525912E-2 -1.0990386E+4 -5.9908315E+1 4.3582989E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Pb+2 + 1.000H2O = PbOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -7.510
|
|
delta_h 4.021 #kJ/mol #Internal calculation
|
|
-analytic 6.3009541E+1 8.0294244E-3 -3.0296716E+3 -2.5513203E+1 3.3702106E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000H2PO4- + 1.000Pb+2 = PbP2O7-2 + 1.000H2O + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -9.478
|
|
#References = LogK/DGf: 82wag/eva;
|
|
#References = LogK/DGf: 82wag/eva; V°: Default value;
|
|
|
|
1.000Pb+2 + 1.000SO4-2 = PbSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.820
|
|
delta_h 6.860 #kJ/mol #Internal calculation
|
|
-analytic 1.7031678E+3 2.6612858E-1 -9.4494186E+4 -6.168295E+2 5.6487689E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 06bla/pia; V°: Default value;
|
|
|
|
1.000Pd+2 + 2.000SO4-2 = Pd(SO4)2-2
|
|
-llnl_gamma 4.7
|
|
log_k 4.543
|
|
delta_h 13.311 #kJ/mol #98sas/sho
|
|
-analytic 1.8328034E+3 2.8730619E-1 -1.0245546E+5 -6.6270592E+2 6.1815486E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Pd+2 + 3.000SO4-2 = Pd(SO4)3-4
|
|
-llnl_gamma 9.6
|
|
log_k 6.330
|
|
delta_h 22.791 #kJ/mol #98sas/sho
|
|
-analytic 2.003922E+3 3.1049E-1 -1.1510777E+5 -7.2128973E+2 7.1731075E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Cl- + 1.000Pd+2 = PdCl+
|
|
-llnl_gamma 4.1
|
|
log_k 6.112
|
|
delta_h -30.306 #kJ/mol #98sas/sho
|
|
-analytic 8.1839102E+2 1.3409427E-1 -4.3615188E+4 -2.9786761E+2 2.7628651E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
2.000Cl- + 1.000Pd+2 = PdCl2
|
|
-llnl_gamma 3.4
|
|
log_k 10.728
|
|
delta_h -63.428 #kJ/mol #98sas/sho
|
|
-analytic 1.6134857E+3 2.6312736E-1 -8.5772785E+4 -5.8779223E+2 5.4161121E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
3.000Cl- + 1.000Pd+2 = PdCl3-
|
|
-llnl_gamma 3.6
|
|
log_k 13.138
|
|
delta_h -96.181 #kJ/mol #98sas/sho
|
|
-analytic 1.6089602E+3 2.6370322E-1 -8.5838371E+4 -5.8634303E+2 5.71817E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
4.000Cl- + 1.000Pd+2 = PdCl4-2
|
|
-llnl_gamma 4.7
|
|
log_k 15.138
|
|
delta_h -142.184 #kJ/mol #98sas/sho
|
|
-analytic 1.5764881E+3 2.5922383E-1 -8.3561047E+4 -5.7571264E+2 5.8839455E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Pd+2 + 1.000H2O = PdO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -2.182
|
|
delta_h 6.074 #kJ/mol #98sas/sho
|
|
-analytic 2.6894351E+2 4.4303894E-2 -1.3156672E+4 -9.9694179E+1 5.759613E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Pd+2 + 1.000H2O = PdOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -0.988
|
|
delta_h 6.864 #kJ/mol #98sas/sho
|
|
-analytic 1.7819067E+2 2.7741691E-2 -9.7512242E+3 -6.4881145E+1 5.1561571E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Pd+2 + 1.000SO4-2 = PdSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.477
|
|
delta_h 5.546 #kJ/mol #98sas/sho
|
|
-analytic 1.6703525E+3 2.6532462E-1 -9.0413635E+4 -6.0720933E+2 5.223936E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000F- + 1.000H2PO4- = PO3F-2 + 1.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k -1.180
|
|
#References = LogK/DGf: 82wag/eva;
|
|
#References = LogK/DGf: 82wag/eva; V°: Default value;
|
|
|
|
1.000H2PO4- = PO4-3 + 2.000H+
|
|
-llnl_gamma 4.0
|
|
log_k -19.560
|
|
delta_h 18.200 #kJ/mol #89cox/wag
|
|
-analytic -1.4841661E+3 -2.403801E-1 8.1179902E+4 5.3408286E+2 -5.116392E+6
|
|
#References = LogK/DGf: 89cox/wag; DHf/DHr: 89cox/wag; S°: Internal calculation; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cl- + 1.000Pr+3 = PrCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.321
|
|
delta_h 14.599 #kJ/mol #95haa/sho
|
|
-analytic 8.2254676E+2 1.3444003E-1 -4.61668E+4 -2.9856961E+2 2.7847004E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Pr+3 = PrCl2+
|
|
-llnl_gamma 4.1
|
|
log_k 0.056
|
|
delta_h 20.070 #kJ/mol #95haa/sho
|
|
-analytic 1.5750521E+3 2.5636087E-1 -8.640606E+4 -5.7323784E+2 5.0506311E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Pr+3 = PrCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.283
|
|
delta_h 14.109 #kJ/mol #95haa/sho
|
|
-analytic 2.2754534E+3 3.6890787E-1 -1.2146797E+5 -8.306082E+2 6.8417122E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Pr+3 = PrCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.695
|
|
delta_h -4.157 #kJ/mol #95haa/sho
|
|
-analytic 1.7182161E+3 2.9070316E-1 -8.5507738E+4 -6.3375482E+2 4.3909277E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Pr+3 = PrCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.756
|
|
delta_h -3.380 #kJ/mol #95haa/sho
|
|
-analytic 7.2138626E+2 1.1758392E-1 -3.6202894E+4 -2.6611833E+2 1.8416958E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000F- + 1.000Pr+3 = PrF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.262
|
|
delta_h 23.448 #kJ/mol #95haa/sho
|
|
-analytic 9.1398788E+2 1.4748959E-1 -5.1312825E+4 -3.2975399E+2 3.0542718E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000F- + 1.000Pr+3 = PrF2+
|
|
-llnl_gamma 4.1
|
|
log_k 7.424
|
|
delta_h 14.875 #kJ/mol #95haa/sho
|
|
-analytic 1.7346648E+3 2.7829632E-1 -9.4856916E+4 -6.2835263E+2 5.57848E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000F- + 1.000Pr+3 = PrF3
|
|
-llnl_gamma 3.4
|
|
log_k 9.780
|
|
delta_h -6.684 #kJ/mol #95haa/sho
|
|
-analytic 2.5235027E+3 4.0409891E-1 -1.3413726E+5 -9.1766238E+2 7.6794967E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000F- + 1.000Pr+3 = PrF4-
|
|
-llnl_gamma 3.6
|
|
log_k 11.697
|
|
delta_h -47.314 #kJ/mol #95haa/sho
|
|
-analytic 2.4722098E+3 3.9032688E-1 -1.2770305E+5 -9.0092669E+2 7.1748958E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000H2PO4- + 1.000Pr+3 = PrH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.183
|
|
delta_h -6.015 #kJ/mol #95haa/sho
|
|
-analytic 8.5579502E+2 1.3661585E-1 -4.8693192E+4 -3.10067E+2 3.1303306E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Pr+3 = PrHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.936
|
|
delta_h -13.317 #kJ/mol #95haa/sho
|
|
-analytic 8.4632289E+2 1.3502981E-1 -4.7807723E+4 -3.0679399E+2 3.0973294E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000NO3- + 1.000Pr+3 = PrNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.655
|
|
delta_h -27.588 #kJ/mol #95haa/sho
|
|
-analytic 7.8435651E+2 1.2461456E-1 -4.3847358E+4 -2.8544941E+2 2.8921439E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Pr+3 + 1.000H2O = PrO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -17.282
|
|
delta_h 155.136 #kJ/mol #95haa/sho
|
|
-analytic 2.1505188E+2 3.4941731E-2 -1.5395073E+4 -7.747595E+1 5.2658598E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Pr+3 + 2.000H2O = PrO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -37.570
|
|
delta_h 281.272 #kJ/mol #95haa/sho
|
|
-analytic -2.1156529E+2 -3.7236822E-2 2.7251464E+3 7.829187E+1 -1.5797207E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Pr+3 + 2.000H2O = PrO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -26.575
|
|
delta_h 230.986 #kJ/mol #95haa/sho
|
|
-analytic 2.0346398E+2 2.8379542E-2 -1.498398E+4 -7.3311633E+1 -6.079409E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Pr+3 + 1.000H2O = PrOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -8.266
|
|
delta_h 83.714 #kJ/mol #95haa/sho
|
|
-analytic 1.568605E+2 2.4159485E-2 -1.1569421E+4 -5.5430282E+1 3.2291166E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Pr+3 + 1.000SO4-2 = PrSO4+
|
|
-llnl_gamma 4.1
|
|
log_k -3.607
|
|
delta_h 61.106 #kJ/mol #95haa/sho
|
|
-analytic 1.6468349E+3 2.6102645E-1 -9.1474867E+4 -5.9754798E+2 5.078874E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Pt+2 + 2.000SO4-2 = Pt(SO4)2-2
|
|
-llnl_gamma 4.7
|
|
log_k 4.858
|
|
delta_h 11.138 #kJ/mol #98sas/sho
|
|
-analytic 1.825619E+3 2.8625926E-1 -1.0194747E+5 -6.6013311E+2 6.1585846E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Pt+2 + 3.000SO4-2 = Pt(SO4)3-4
|
|
-llnl_gamma 9.6
|
|
log_k 6.242
|
|
delta_h 22.544 #kJ/mol #98sas/sho
|
|
-analytic 1.9956647E+3 3.0926635E-1 -1.1461914E+5 -7.1836382E+2 7.1424764E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Cl- + 1.000Pt+2 = PtCl+
|
|
-llnl_gamma 4.1
|
|
log_k 8.692
|
|
delta_h -45.782 #kJ/mol #98sas/sho
|
|
-analytic 8.136846E+2 1.3336916E-1 -4.2478118E+4 -2.9625189E+2 2.7354002E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
2.000Cl- + 1.000Pt+2 = PtCl2
|
|
-llnl_gamma 3.4
|
|
log_k 15.515
|
|
delta_h -92.745 #kJ/mol #98sas/sho
|
|
-analytic 1.6086651E+3 2.6251481E-1 -8.3744569E+4 -5.8633828E+2 5.3618285E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
3.000Cl- + 1.000Pt+2 = PtCl3-
|
|
-llnl_gamma 3.6
|
|
log_k 18.526
|
|
delta_h -130.801 #kJ/mol #98sas/sho
|
|
-analytic 1.5878969E+3 2.6017188E-1 -8.2562704E+4 -5.7909542E+2 5.5922413E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
4.000Cl- + 1.000Pt+2 = PtCl4-2
|
|
-llnl_gamma 4.7
|
|
log_k 20.057
|
|
delta_h -177.245 #kJ/mol #98sas/sho
|
|
-analytic 1.5484326E+3 2.5438399E-1 -7.9703614E+4 -5.662E+2 5.7008799E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Pt+2 + 1.000H2O = PtO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k 4.437
|
|
delta_h -32.955 #kJ/mol #98sas/sho
|
|
-analytic 2.8023516E+2 4.6356445E-2 -1.1971125E+4 -1.037808E+2 6.5162285E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Pt+2 + 1.000H2O = PtOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k 2.465
|
|
delta_h -13.841 #kJ/mol #98sas/sho
|
|
-analytic 1.8597453E+2 2.89547E-2 -9.3880305E+3 -6.7592535E+1 5.8654615E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Pt+2 + 1.000SO4-2 = PtSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.990
|
|
delta_h 2.368 #kJ/mol #98sas/sho
|
|
-analytic 1.6713406E+3 2.6568597E-1 -9.0259829E+4 -6.0764518E+2 5.2221456E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Br- + 1.000Rb+ = RbBr
|
|
-llnl_gamma 3.4
|
|
log_k -1.217
|
|
delta_h 13.931 #kJ/mol #97sve/sho
|
|
-analytic 6.4939177E+2 1.0250026E-1 -3.5678839E+4 -2.3605365E+2 2.0087942E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cl- + 1.000Rb+ = RbCl
|
|
-llnl_gamma 3.4
|
|
log_k -0.947
|
|
delta_h 13.180 #kJ/mol #97sve/sho
|
|
-analytic 6.4893651E+2 1.0345519E-1 -3.5314004E+4 -2.3619336E+2 1.9698919E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000F- + 1.000Rb+ = RbF
|
|
-llnl_gamma 3.4
|
|
log_k 1.000
|
|
delta_h 1.899 #kJ/mol #97sve/sho
|
|
-analytic 7.2299104E+2 1.1414147E-1 -3.8880808E+4 -2.6290537E+2 2.2158284E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000I- + 1.000Rb+ = RbI
|
|
-llnl_gamma 3.4
|
|
log_k -0.960
|
|
delta_h 7.975 #kJ/mol #97sve/sho
|
|
-analytic 5.9916632E+2 9.5931446E-2 -3.2538042E+4 -2.1835691E+2 1.8413876E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Rb+ + 1.000H2O = RbOH + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -14.204
|
|
delta_h 64.213 #kJ/mol #97asho/sas
|
|
-analytic 5.1747365E-1 -3.1864225E-3 -1.8801903E+3 -1.6746387E+0 -2.9523567E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Rh+3 + 2.000SO4-2 = Rh(SO4)2-
|
|
-llnl_gamma 3.6
|
|
log_k 2.131
|
|
delta_h 67.868 #kJ/mol #98sas/sho
|
|
-analytic 2.551319E+3 4.0341267E-1 -1.4205388E+5 -9.2337766E+2 8.1624977E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Rh+2 + 2.000SO4-2 = Rh(SO4)2-2
|
|
-llnl_gamma 4.7
|
|
log_k 4.513
|
|
delta_h 12.231 #kJ/mol #98sas/sho
|
|
-analytic 1.8025014E+3 2.8181344E-1 -1.0096726E+5 -6.5150893E+2 6.1115526E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Rh+3 + 3.000SO4-2 = Rh(SO4)3-3
|
|
-llnl_gamma 6.7
|
|
log_k 1.969
|
|
delta_h 108.811 #kJ/mol #98sas/sho
|
|
-analytic 2.7847276E+3 4.3682983E-1 -1.5921351E+5 -1.0036951E+3 9.2967665E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Rh+2 + 3.000SO4-2 = Rh(SO4)3-4
|
|
-llnl_gamma 9.6
|
|
log_k 6.110
|
|
delta_h 22.050 #kJ/mol #98sas/sho
|
|
-analytic 1.973948E+3 3.0504126E-1 -1.1363556E+5 -7.1027158E+2 7.099959E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Cl- + 1.000Rh+2 = RhCl+
|
|
-llnl_gamma 4.1
|
|
log_k -0.207
|
|
delta_h 3.515 #kJ/mol #98sas/sho
|
|
-analytic 7.9942463E+2 1.3016858E-1 -4.4359067E+4 -2.9095129E+2 2.6916905E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Cl- + 1.000Rh+3 = RhCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 2.022
|
|
delta_h -0.348 #kJ/mol #98sas/sho
|
|
-analytic 8.3283361E+2 1.3629397E-1 -4.66684E+4 -3.0224381E+2 2.9300334E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
2.000Cl- + 1.000Rh+3 = RhCl2+
|
|
-llnl_gamma 4.1
|
|
log_k 3.303
|
|
delta_h -11.813 #kJ/mol #98sas/sho
|
|
-analytic 1.6310717E+3 2.6554033E-1 -8.9751306E+4 -5.9332801E+2 5.5326626E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
2.000Cl- + 1.000Rh+2 = RhCl2
|
|
-llnl_gamma 3.4
|
|
log_k -0.773
|
|
delta_h -3.394 #kJ/mol #98sas/sho
|
|
-analytic 1.5927413E+3 2.5933664E-1 -8.7318436E+4 -5.8080917E+2 5.2631047E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
3.000Cl- + 1.000Rh+3 = RhCl3
|
|
-llnl_gamma 3.4
|
|
log_k 3.338
|
|
delta_h -32.382 #kJ/mol #98sas/sho
|
|
-analytic 2.366619E+3 3.8725125E-1 -1.2704145E+5 -8.6423353E+2 7.6313997E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
3.000Cl- + 1.000Rh+2 = RhCl3-
|
|
-llnl_gamma 3.6
|
|
log_k -2.093
|
|
delta_h -20.215 #kJ/mol #98sas/sho
|
|
-analytic 1.5502432E+3 2.5286251E-1 -8.5900495E+4 -5.6587094E+2 5.3864897E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
4.000Cl- + 1.000Rh+3 = RhCl4-
|
|
-llnl_gamma 3.6
|
|
log_k 3.300
|
|
delta_h -72.492 #kJ/mol #98sas/sho
|
|
-analytic 2.3207399E+3 3.7507528E-1 -1.2284848E+5 -8.4908994E+2 7.4479454E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
4.000Cl- + 1.000Rh+2 = RhCl4-2
|
|
-llnl_gamma 4.7
|
|
log_k -3.297
|
|
delta_h -56.417 #kJ/mol #98sas/sho
|
|
-analytic 1.4969207E+3 2.4443621E-1 -8.2504138E+4 -5.4840384E+2 5.3881494E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Rh+3 + 1.000H2O = RhO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -5.400
|
|
delta_h 75.962 #kJ/mol #98sas/sho
|
|
-analytic 2.2483762E+2 3.667892E-2 -1.3279613E+4 -8.0884344E+1 3.1195009E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Rh+2 + 1.000H2O = RhO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -15.948
|
|
delta_h 81.032 #kJ/mol #98sas/sho
|
|
-analytic 2.918108E+2 4.7802055E-2 -1.9189086E+4 -1.0768961E+2 7.8405239E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Rh+2 + 1.000H2O = RhOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -7.834
|
|
delta_h 43.198 #kJ/mol #98sas/sho
|
|
-analytic 1.9955285E+2 3.0147506E-2 -1.382324E+4 -7.2042752E+1 7.3365394E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Rh+3 + 1.000H2O = RhOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -2.498
|
|
delta_h 42.178 #kJ/mol #98sas/sho
|
|
-analytic 1.7459634E+2 2.7147056E-2 -1.1659E+4 -6.1672037E+1 5.7958425E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Rh+3 + 1.000SO4-2 = RhSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.560
|
|
delta_h 31.110 #kJ/mol #98sas/sho
|
|
-analytic 1.6670695E+3 2.6422071E-1 -9.1392594E+4 -6.0470485E+2 5.204568E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Rh+2 + 1.000SO4-2 = RhSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.477
|
|
delta_h 4.798 #kJ/mol #98sas/sho
|
|
-analytic 1.6662284E+3 2.643244E-1 -9.0242681E+4 -6.0564173E+2 5.221268E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Ru+3 + 2.000SO4-2 = Ru(SO4)2-
|
|
-llnl_gamma 3.6
|
|
log_k 2.710
|
|
delta_h 64.563 #kJ/mol #98sas/sho
|
|
-analytic 2.5456562E+3 4.0235895E-1 -1.4128764E+5 -9.2146744E+2 8.0966633E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Ru+2 + 2.000SO4-2 = Ru(SO4)2-2
|
|
-llnl_gamma 4.7
|
|
log_k 4.147
|
|
delta_h 14.572 #kJ/mol #98sas/sho
|
|
-analytic 1.8095702E+3 2.8292532E-1 -1.0145972E+5 -6.5407292E+2 6.1319394E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Ru+3 + 3.000SO4-2 = Ru(SO4)3-3
|
|
-llnl_gamma 6.7
|
|
log_k 2.328
|
|
delta_h 106.761 #kJ/mol #98sas/sho
|
|
-analytic 2.7805071E+3 4.3599372E-1 -1.5859115E+5 -1.0023081E+3 9.2353812E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Ru+2 + 3.000SO4-2 = Ru(SO4)3-4
|
|
-llnl_gamma 9.6
|
|
log_k 5.304
|
|
delta_h 27.151 #kJ/mol #98sas/sho
|
|
-analytic 1.9783349E+3 3.0571876E-1 -1.1412926E+5 -7.1183982E+2 7.1125138E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Cl- + 1.000Ru+2 = RuCl+
|
|
-llnl_gamma 4.1
|
|
log_k -0.493
|
|
delta_h 5.645 #kJ/mol #98sas/sho
|
|
-analytic 8.0086052E+2 1.3040448E-1 -4.4592224E+4 -2.9141572E+2 2.7040583E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Cl- + 1.000Ru+3 = RuCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 2.183
|
|
delta_h -1.019 #kJ/mol #98sas/sho
|
|
-analytic 8.4566243E+2 1.3854465E-1 -4.7776586E+4 -3.0665709E+2 3.0454742E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
2.000Cl- + 1.000Ru+3 = RuCl2+
|
|
-llnl_gamma 4.1
|
|
log_k 3.779
|
|
delta_h -14.033 #kJ/mol #98sas/sho
|
|
-analytic 1.6644313E+3 2.7146021E-1 -9.2650933E+4 -6.0479864E+2 5.8402814E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
2.000Cl- + 1.000Ru+2 = RuCl2
|
|
-llnl_gamma 3.4
|
|
log_k -1.293
|
|
delta_h 0.824 #kJ/mol #98sas/sho
|
|
-analytic 1.595528E+3 2.5972204E-1 -8.7828475E+4 -5.816473E+2 5.295329E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
3.000Cl- + 1.000Ru+3 = RuCl3
|
|
-llnl_gamma 3.4
|
|
log_k 4.335
|
|
delta_h -37.199 #kJ/mol #98sas/sho
|
|
-analytic 2.4332648E+3 3.988706E-1 -1.3271343E+5 -8.8718544E+2 8.2273139E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
3.000Cl- + 1.000Ru+2 = RuCl3-
|
|
-llnl_gamma 3.6
|
|
log_k -2.790
|
|
delta_h -13.870 #kJ/mol #98sas/sho
|
|
-analytic 1.55914E+3 2.544506E-1 -8.6909863E+4 -5.6886442E+2 5.4510262E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
4.000Cl- + 1.000Ru+3 = RuCl4-
|
|
-llnl_gamma 3.6
|
|
log_k 4.194
|
|
delta_h -75.975 #kJ/mol #98sas/sho
|
|
-analytic 2.42266E+3 3.9315121E-1 -1.3187021E+5 -8.8413287E+2 8.3862363E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
4.000Cl- + 1.000Ru+2 = RuCl4-2
|
|
-llnl_gamma 4.7
|
|
log_k -4.140
|
|
delta_h -47.364 #kJ/mol #98sas/sho
|
|
-analytic 1.5103672E+3 2.468895E-1 -8.4008102E+4 -5.528902E+2 5.4881187E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
5.000Cl- + 1.000Ru+3 = RuCl5-2
|
|
-llnl_gamma 4.7
|
|
log_k 3.907
|
|
delta_h -165.659 #kJ/mol #98sas/sho
|
|
-analytic 2.4406041E+3 3.9395351E-1 -1.3121619E+5 -8.9436672E+2 8.8003754E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
6.000Cl- + 1.000Ru+3 = RuCl6-3
|
|
-llnl_gamma 6.7
|
|
log_k 3.525
|
|
delta_h -265.789 #kJ/mol #98sas/sho
|
|
-analytic 2.398678E+3 3.8299788E-1 -1.242379E+5 -8.8470795E+2 8.5785524E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Ru+3 + 1.000H2O = RuO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -3.509
|
|
delta_h 65.666 #kJ/mol #98sas/sho
|
|
-analytic 2.1053454E+2 3.4339559E-2 -1.1504754E+4 -7.5918756E+1 1.9210195E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Ru+2 + 1.000H2O = RuO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -15.399
|
|
delta_h 78.642 #kJ/mol #98sas/sho
|
|
-analytic 2.8502004E+2 4.6597664E-2 -1.8545838E+4 -1.0524041E+2 7.3798215E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Ru+2 + 1.000H2O = RuOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -7.555
|
|
delta_h 42.231 #kJ/mol #98sas/sho
|
|
-analytic 1.9064829E+2 2.88222E-2 -1.3104526E+4 -6.888978E+1 6.7728052E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Ru+3 + 1.000H2O = RuOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -2.234
|
|
delta_h 40.921 #kJ/mol #98sas/sho
|
|
-analytic 1.6252471E+2 2.5115178E-2 -1.0499562E+4 -5.7513454E+1 4.6956955E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Ru+3 + 1.000SO4-2 = RuSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 2.066
|
|
delta_h 28.223 #kJ/mol #98sas/sho
|
|
-analytic 1.6578068E+3 2.6264554E-1 -9.0448177E+4 -6.0149528E+2 5.1271119E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000Ru+2 + 1.000SO4-2 = RuSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.403
|
|
delta_h 5.341 #kJ/mol #98sas/sho
|
|
-analytic 1.6653938E+3 2.6410378E-1 -9.0244049E+4 -6.053037E+2 5.2208407E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
1.000HS- = S-2 + 1.000H+
|
|
-llnl_gamma 5.0
|
|
log_k -17.100
|
|
delta_h 73.277 #kJ/mol #Internal calculation
|
|
-analytic 7.5990924E+2 1.0332456E-1 -4.4624166E+4 -2.7565023E+2 2.1275102E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; V°: Default value;
|
|
|
|
1.500HS- + 0.250S2O3-2 = S2-2 + 0.750H2O
|
|
-llnl_gamma 4.7
|
|
log_k -3.333
|
|
delta_h 8.189 #kJ/mol #04chi
|
|
-analytic -5.0808391E+1 -5.7939636E-3 2.6885856E+3 1.7194332E+1 -2.0986896E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 88sho/hel; V°: 88sho/hel;
|
|
|
|
2.000SO3-2 + 2.000H+ = S2O5-2 + 1.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k 12.850
|
|
delta_h 2.605 #kJ/mol #Internal calculation
|
|
-analytic 1.4609098E+3 2.3526643E-1 -8.090417E+4 -5.2657763E+2 4.9896902E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000HS- + 0.500S2O3-2 + 1.000H+ = S3-2 + 1.500H2O
|
|
-llnl_gamma 4.7
|
|
log_k 7.903
|
|
delta_h -44.062 #kJ/mol #04chi
|
|
-analytic 6.4105216E+2 1.0610644E-1 -3.2939051E+4 -2.3376269E+2 2.144492E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 88sho/hel; V°: 88sho/hel;
|
|
|
|
1.000S2O4-2 + 1.000SO3-2 + 2.000H+ = S3O6-2 + 1.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k 18.881
|
|
delta_h -68.607 #kJ/mol #97asho/sas
|
|
-analytic 1.4125857E+3 2.2730359E-1 -7.4567136E+4 -5.1132411E+2 4.7880078E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.500HS- + 0.750S2O3-2 + 2.000H+ = S4-2 + 2.250H2O
|
|
-llnl_gamma 4.7
|
|
log_k 18.036
|
|
delta_h -90.143 #kJ/mol #04chi
|
|
-analytic 1.3325896E+3 2.1804958E-1 -6.8851089E+4 -4.8463888E+2 4.4953752E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 88sho/hel; V°: 88sho/hel;
|
|
|
|
1.000S2O3-2 + 1.000S2O4-2 + 2.000H+ = S4O6-2 + 1.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k 27.056
|
|
delta_h -104.283 #kJ/mol #97asho/sas
|
|
-analytic 1.509226E+3 2.4211391E-1 -7.8114083E+4 -5.4560243E+2 5.1288867E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
3.000HS- + 1.000S2O3-2 + 3.000H+ = S5-2 + 3.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k 27.949
|
|
delta_h -134.964 #kJ/mol #04chi
|
|
-analytic 2.027203E+3 3.3042854E-1 -1.0499647E+5 -7.366256E+2 6.8555421E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 88sho/hel; V°: 88sho/hel;
|
|
|
|
2.500S2O3-2 + 3.000H+ = S5O6-2 + 1.500H2O
|
|
-llnl_gamma 4.7
|
|
log_k 0.871
|
|
delta_h 26.266 #kJ/mol #97asho/sas
|
|
-analytic 2.1005465E+3 3.3737902E-1 -1.1779345E+5 -7.6187185E+2 7.1131185E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 97asho/sas; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
4.000HS- + 2.000Sb(OH)3 + 2.000H+ = Sb2S4-2 + 6.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k 43.519
|
|
delta_h -258.255 #kJ/mol #Internal calculation
|
|
-analytic 1.1425624E+3 2.0226605E-1 -4.4375611E+4 -4.2266863E+2 3.1427329E+6
|
|
#References = LogK/DGf: 05bes/app; DHf/DHr: Internal calculation; S°: 05bes/app; Cp: 05bes/app; V°: 05bes/app;
|
|
|
|
1.000CN- + 0.500HS- + 0.250S2O3-2 + 1.000H+ = SCN- + 0.750H2O
|
|
-llnl_gamma 3.5
|
|
log_k 23.306
|
|
delta_h -117.402 #kJ/mol #97asho/sas
|
|
-analytic 7.1893928E+2 1.1608779E-1 -3.3663289E+4 -2.6057297E+2 2.4386067E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Sc+3 + 1.000H2O = ScO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -9.732
|
|
delta_h 106.303 #kJ/mol #97asho/sas
|
|
-analytic 1.8771228E+2 3.0715425E-2 -1.0976497E+4 -6.8152772E+1 -1.0201253E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Sc+3 + 2.000H2O = ScO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -25.989
|
|
delta_h 206.682 #kJ/mol #97asho/sas
|
|
-analytic -2.3820422E+2 -4.1309483E-2 7.3527354E+3 8.7856356E+1 -1.5577674E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Sc+3 + 1.000H2O = ScOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -4.308
|
|
delta_h 60.247 #kJ/mol #97asho/sas
|
|
-analytic 1.3842768E+2 2.1384803E-2 -8.6113214E+3 -4.925553E+1 1.4670462E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000CN- + 0.750HSe- + 0.250SeO4-2 + 1.250H+ = SeCN- + 1.000H2O
|
|
-llnl_gamma 3.6
|
|
log_k 43.890
|
|
delta_h -221.410 #kJ/mol #97asho/sas
|
|
-analytic 9.452807E+2 1.5128321E-1 -4.0871323E+4 -3.4175692E+2 3.2217591E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
6.000F- + 1.000SO4-2 + 8.000H+ = SF6 + 4.000H2O
|
|
-llnl_gamma 3.4
|
|
log_k -70.065
|
|
delta_h 548.922 #kJ/mol #01sch/sho
|
|
-analytic 6.0803233E+3 9.6429773E-1 -3.7059279E+5 -2.1964555E+3 2.1340358E+7
|
|
#References = LogK/DGf: 01sch/sho; DHf/DHr: Internal calculation; S°: 01sch/sho; Cp: 01sch/sho; V°: 01sch/sho;
|
|
|
|
2.000H4SiO4 = Si2O2(OH)5- + 1.000H2O + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -8.500
|
|
delta_h 21.714 #kJ/mol #Internal calculation
|
|
-analytic 1.601384E+2 2.2967889E-2 -6.9307816E+3 -6.1445436E+1 -1.7592628E+4
|
|
#References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
2.000H4SiO4 = Si2O3(OH)4-2 + 1.000H2O + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -19.400
|
|
delta_h 57.128 #kJ/mol #Internal calculation
|
|
-analytic 2.4483144E+2 2.2967889E-2 -1.2759796E+4 -9.2176672E+1 -1.7592628E+4
|
|
#References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
3.000H4SiO4 = Si3O5(OH)5-3 + 2.000H2O + 3.000H+
|
|
-llnl_gamma 4.5
|
|
log_k -29.401
|
|
delta_h 87.404 #kJ/mol #Internal calculation
|
|
-analytic 3.7867599E+2 3.6141463E-2 -1.9849346E+4 -1.4240552E+2 8.5342353E+3
|
|
#References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
3.000H4SiO4 = Si3O6(OH)3-3 + 3.000H2O + 3.000H+
|
|
-llnl_gamma 4.5
|
|
log_k -29.401
|
|
delta_h 87.404 #kJ/mol #Internal calculation
|
|
-analytic 4.0153365E+2 3.9520722E-2 -2.108976E+4 -1.5068655E+2 7.8380589E+4
|
|
#References = LogK/DGf: 07las; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
4.000H4SiO4 = Si4O12H4-4 + 4.000H2O + 4.000H+
|
|
-llnl_gamma 9.6
|
|
log_k -39.201
|
|
delta_h 116.539 #kJ/mol #Internal calculation
|
|
-analytic 5.353782E+2 5.2694296E-2 -2.811968E+4 -2.0091539E+2 1.0450745E+5
|
|
#References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
4.000H4SiO4 = Si4O6(OH)6-2 + 4.000H2O + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -15.201
|
|
delta_h 33.154 #kJ/mol #Internal calculation
|
|
-analytic 3.659921E+2 5.2694296E-2 -1.5805722E+4 -1.3945292E+2 1.0450745E+5
|
|
#References = LogK/DGf: 07las; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
4.000H4SiO4 = Si4O7(OH)6-4 + 3.000H2O + 4.000H+
|
|
-llnl_gamma 9.6
|
|
log_k -39.101
|
|
delta_h 115.968 #kJ/mol #Internal calculation
|
|
-analytic 5.1252054E+2 4.9315037E-2 -2.6849451E+4 -1.9263437E+2 3.4661098E+4
|
|
#References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
4.000H4SiO4 = Si4O8(OH)4-4 + 4.000H2O + 4.000H+
|
|
-llnl_gamma 9.6
|
|
log_k -39.101
|
|
delta_h 115.968 #kJ/mol #Internal calculation
|
|
-analytic 5.353782E+2 5.2694296E-2 -2.8089865E+4 -2.0091539E+2 1.0450745E+5
|
|
#References = LogK/DGf: 01fel/cho; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
6.000H4SiO4 = Si6O15-6 + 9.000H2O + 6.000H+
|
|
-llnl_gamma 4.5
|
|
log_k -61.503
|
|
delta_h 190.220 #kJ/mol #Internal calculation
|
|
-analytic 8.7164025E+2 8.9179221E-2 -4.6705767E+4 -3.2621617E+2 3.6630024E+5
|
|
#References = LogK/DGf: 07las; DHf/DHr: Internal calculation; S°: 17bbla; V°: Default value;
|
|
|
|
6.000F- + 1.000H4SiO4 + 4.000H+ = SiF6-2 + 4.000H2O
|
|
-llnl_gamma 4.7
|
|
log_k 26.230
|
|
delta_h -59.090 #kJ/mol #88sho/hel
|
|
-analytic 2.9934391E+3 4.815153E-1 -1.587155E+5 -1.0854045E+3 9.5404116E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 88sho/hel; S°: 88sho/hel; Cp: 88sho/hel; V°: 88sho/hel;
|
|
|
|
1.000Cl- + 1.000Sm+3 = SmCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.321
|
|
delta_h 14.474 #kJ/mol #95haa/sho
|
|
-analytic 8.1417583E+2 1.3280258E-1 -4.5595045E+4 -2.9554718E+2 2.7369344E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Sm+3 = SmCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.018
|
|
delta_h 19.990 #kJ/mol #95haa/sho
|
|
-analytic 1.5580755E+3 2.5323144E-1 -8.5086474E+4 -5.67261E+2 4.928058E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Sm+3 = SmCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.356
|
|
delta_h 13.779 #kJ/mol #95haa/sho
|
|
-analytic 2.2472217E+3 3.6383443E-1 -1.1911355E+5 -8.2077824E+2 6.6150902E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Sm+3 = SmCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.768
|
|
delta_h -5.236 #kJ/mol #95haa/sho
|
|
-analytic 1.6568872E+3 2.8048624E-1 -8.0746942E+4 -6.1229656E+2 3.9675208E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Sm+3 = SmCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.462
|
|
delta_h -5.178 #kJ/mol #95haa/sho
|
|
-analytic 7.183597E+2 1.1692218E-1 -3.5990243E+4 -2.64966E+2 1.8374698E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000F- + 1.000Sm+3 = SmF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.409
|
|
delta_h 22.985 #kJ/mol #95haa/sho
|
|
-analytic 9.0555003E+2 1.4583404E-1 -5.0713933E+4 -3.2667713E+2 3.0059032E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000F- + 1.000Sm+3 = SmF2+
|
|
-llnl_gamma 4.1
|
|
log_k 7.718
|
|
delta_h 13.451 #kJ/mol #95haa/sho
|
|
-analytic 1.7179557E+3 2.7518278E-1 -9.3475565E+4 -6.2242385E+2 5.4564423E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000F- + 1.000Sm+3 = SmF3
|
|
-llnl_gamma 3.4
|
|
log_k 10.147
|
|
delta_h -8.776 #kJ/mol #95haa/sho
|
|
-analytic 2.4954036E+3 3.9902558E-1 -1.3169091E+5 -9.078329E+2 7.4528808E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000F- + 1.000Sm+3 = SmF4-
|
|
-llnl_gamma 3.6
|
|
log_k 12.137
|
|
delta_h -50.074 #kJ/mol #95haa/sho
|
|
-analytic 2.0120174E+3 3.2837719E-1 -9.9124744E+4 -7.3741492E+2 5.2771225E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000H2PO4- + 1.000Sm+3 = SmH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.037
|
|
delta_h -5.553 #kJ/mol #95haa/sho
|
|
-analytic 8.469815E+2 1.3486836E-1 -4.8141097E+4 -3.0688495E+2 3.0825426E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Sm+3 = SmHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.789
|
|
delta_h 8.851 #kJ/mol #95haa/sho
|
|
-analytic 8.6053979E+2 1.37448E-1 -4.9163484E+4 -3.1096544E+2 3.0781942E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000NO3- + 1.000Sm+3 = SmNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.801
|
|
delta_h -29.298 #kJ/mol #95haa/sho
|
|
-analytic 7.7581105E+2 1.2291034E-1 -4.3203226E+4 -2.8239324E+2 2.8456925E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Sm+3 + 1.000H2O = SmO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -16.476
|
|
delta_h 150.160 #kJ/mol #95haa/sho
|
|
-analytic 2.1723031E+2 3.5096449E-2 -1.5517824E+4 -7.8097469E+1 9.9892946E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Sm+3 + 2.000H2O = SmO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -35.005
|
|
delta_h 266.129 #kJ/mol #95haa/sho
|
|
-analytic -2.0144743E+2 -3.5964054E-2 2.6216666E+3 7.4845743E+1 -1.4959409E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Sm+3 + 2.000H2O = SmO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -25.915
|
|
delta_h 226.722 #kJ/mol #95haa/sho
|
|
-analytic 3.2264693E+2 4.8800504E-2 -2.1330832E+4 -1.1692234E+2 -2.0013885E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Sm+3 + 1.000H2O = SmOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -7.973
|
|
delta_h 81.791 #kJ/mol #95haa/sho
|
|
-analytic 1.604726E+2 2.4561137E-2 -1.1909836E+4 -5.6581066E+1 3.7186057E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000SO4-2 + 1.000Sm+3 = SmSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.723
|
|
delta_h 19.890 #kJ/mol #95haa/sho
|
|
-analytic 1.6441727E+3 2.6039619E-1 -8.9216864E+4 -5.9647906E+2 5.075477E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Sn+2 + 1.000H2O = SnO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -7.072
|
|
delta_h 42.963 #kJ/mol #97asho/sas
|
|
-analytic 1.9003412E+2 2.9470557E-2 -1.0300215E+4 -7.0305864E+1 2.3307576E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Sn+2 + 1.000H2O = SnOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -3.407
|
|
delta_h 27.532 #kJ/mol #97asho/sas
|
|
-analytic 1.5185251E+2 2.26432E-2 -8.6556514E+3 -5.515485E+1 3.1095711E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000HCO3- + 1.000Sr+2 = Sr(CO3) + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -7.522
|
|
delta_h 36.523 #kJ/mol #Internal calculation
|
|
-analytic 7.1800764E+2 1.1713203E-1 -3.8145718E+4 -2.6405068E+2 1.8547892E+6
|
|
#References = LogK/DGf: 84bus/plu; DHf/DHr: Internal calculation; S°: 84bus/plu; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000HCO3- + 1.000Sr+2 = Sr(HCO3)+
|
|
-llnl_gamma 4.1
|
|
log_k 1.180
|
|
delta_h 25.315 #kJ/mol #Internal calculation
|
|
-analytic 9.6006291E+2 1.5199542E-1 -5.5122473E+4 -3.4633219E+2 3.3475266E+6
|
|
#References = LogK/DGf: 84bus/plu; DHf/DHr: Internal calculation; S°: 84bus/plu; Cp: 95sho/kor; V°: 95sho/kor;
|
|
|
|
1.000H2AsO4- + 1.000Sr+2 = SrAsO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -13.586
|
|
delta_h 106.774 #kJ/mol #Internal calculation
|
|
-analytic 3.0904863E+2 4.4557984E-2 -1.8324214E+4 -1.1237079E+2 3.1953453E+5
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Cl- + 1.000Sr+2 = SrCl+
|
|
-llnl_gamma 4.1
|
|
log_k -0.230
|
|
delta_h 7.551 #kJ/mol #Internal calculation
|
|
-analytic 8.1483398E+2 1.3239255E-1 -4.5357313E+4 -2.963007E+2 2.7351726E+6
|
|
#References = LogK/DGf: 96bou; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000F- + 1.000Sr+2 = SrF+
|
|
-llnl_gamma 4.1
|
|
log_k 0.174
|
|
delta_h 4.780 #kJ/mol #97sve/sho
|
|
-analytic 8.549729E+2 1.3681732E-1 -4.7790892E+4 -3.1037473E+2 2.9070099E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO3- + 1.000Sr+2 = SrH2AsO3+
|
|
-llnl_gamma 4.1
|
|
log_k 0.399
|
|
delta_h 0.626 #kJ/mol #Internal calculation
|
|
-analytic 6.6325279E+2 1.0241162E-1 -3.4997932E+4 -2.4144609E+2 1.9057574E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2AsO4- + 1.000Sr+2 = SrH2AsO4+
|
|
-llnl_gamma 4.1
|
|
log_k 0.820
|
|
delta_h 3.838 #kJ/mol #Internal calculation
|
|
-analytic 8.639698E+2 1.3631157E-1 -4.8294405E+4 -3.1311061E+2 2.9300089E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2PO4- + 1.000Sr+2 = SrH2PO4+
|
|
-llnl_gamma 4.1
|
|
log_k 0.830
|
|
#References = LogK/DGf: 97smi/mar;
|
|
#References = LogK/DGf: 97smi/mar; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Sr+2 = SrHAsO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -5.151
|
|
delta_h 16.090 #kJ/mol #Internal calculation
|
|
-analytic 8.6810085E+2 1.3702965E-1 -4.6939884E+4 -3.1741842E+2 2.5566666E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2PO4- + 1.000Sr+2 = SrHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.700
|
|
#References = LogK/DGf: 97smi/mar;
|
|
#References = LogK/DGf: 97smi/mar; V°: Default value;
|
|
|
|
1.000Sr+2 + 1.000H2O = SrOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -13.290
|
|
delta_h 82.608 #kJ/mol #Internal calculation
|
|
-analytic 1.3925835E+2 2.0503061E-2 -1.0913316E+4 -5.0593077E+1 2.7838631E+5
|
|
#References = LogK/DGf: 76bae/mes; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
2.000H2PO4- + 1.000Sr+2 = SrP2O7-2 + 1.000H2O + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -12.410
|
|
#References = LogK/DGf: 76smi/mar;
|
|
#References = LogK/DGf: 76smi/mar; V°: Default value;
|
|
|
|
1.000H2PO4- + 1.000Sr+2 = SrPO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -13.560
|
|
#References = LogK/DGf: 96bou;
|
|
#References = LogK/DGf: 96bou; V°: Default value;
|
|
|
|
1.000SO4-2 + 1.000Sr+2 = SrSO4
|
|
-llnl_gamma 3.4
|
|
log_k 2.300
|
|
delta_h 7.029 #kJ/mol #06bla/ign
|
|
-analytic 1.7733534E+3 2.6670392E-1 -9.749797E+4 -6.4131673E+2 5.6300692E+6
|
|
#References = LogK/DGf: 06bla/ign; DHf/DHr: 06bla/ign; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Cl- + 1.000Tb+3 = TbCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.248
|
|
delta_h 14.019 #kJ/mol #95haa/sho
|
|
-analytic 8.2636481E+2 1.3516859E-1 -4.6636167E+4 -2.9986384E+2 2.8440981E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Tb+3 = TbCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.018
|
|
delta_h 17.994 #kJ/mol #95haa/sho
|
|
-analytic 1.5907027E+3 2.592204E-1 -8.7918639E+4 -5.7868264E+2 5.2257141E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Tb+3 = TbCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.429
|
|
delta_h 10.206 #kJ/mol #95haa/sho
|
|
-analytic 2.3151289E+3 3.7630951E-1 -1.2477837E+5 -8.447025E+2 7.1928096E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Tb+3 = TbCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.841
|
|
delta_h -11.803 #kJ/mol #95haa/sho
|
|
-analytic 2.1704367E+3 3.5191379E-1 -1.1409893E+5 -7.9440799E+2 6.4180439E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Tb+3 = TbCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.389
|
|
delta_h -6.595 #kJ/mol #95haa/sho
|
|
-analytic 7.1212831E+2 1.1821708E-1 -3.5408797E+4 -2.6324867E+2 1.8124921E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000F- + 1.000Tb+3 = TbF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.702
|
|
delta_h 22.684 #kJ/mol #95haa/sho
|
|
-analytic 9.1896886E+2 1.484885E-1 -5.1773866E+4 -3.3134581E+2 3.1117157E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000F- + 1.000Tb+3 = TbF2+
|
|
-llnl_gamma 4.1
|
|
log_k 8.231
|
|
delta_h 12.020 #kJ/mol #95haa/sho
|
|
-analytic 1.7544768E+3 2.8187668E-1 -9.6470633E+4 -6.350988E+2 5.7591387E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000F- + 1.000Tb+3 = TbF3
|
|
-llnl_gamma 3.4
|
|
log_k 10.807
|
|
delta_h -11.918 #kJ/mol #95haa/sho
|
|
-analytic 2.5641193E+3 4.1150067E-1 -1.3737827E+5 -9.3175712E+2 8.0306002E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000F- + 1.000Tb+3 = TbF4-
|
|
-llnl_gamma 3.6
|
|
log_k 12.943
|
|
delta_h -56.422 #kJ/mol #95haa/sho
|
|
-analytic 2.5515215E+3 4.0376241E-1 -1.3381147E+5 -9.2866045E+2 7.8008608E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000H2PO4- + 1.000Tb+3 = TbH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.963
|
|
delta_h -7.005 #kJ/mol #95haa/sho
|
|
-analytic 8.5978775E+2 1.3733185E-1 -4.9177828E+4 -3.1148232E+2 3.1926878E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Tb+3 = TbHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.716
|
|
delta_h -14.557 #kJ/mol #95haa/sho
|
|
-analytic 8.5058122E+2 1.3578331E-1 -4.8298031E+4 -3.0831879E+2 3.1608553E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000NO3- + 1.000Tb+3 = TbNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.508
|
|
delta_h -31.242 #kJ/mol #95haa/sho
|
|
-analytic 7.8947978E+2 1.2540017E-1 -4.430973E+4 -2.8736954E+2 2.9630741E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Tb+3 + 1.000H2O = TbO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -16.183
|
|
delta_h 146.740 #kJ/mol #95haa/sho
|
|
-analytic 2.0816256E+2 3.3910407E-2 -1.4725197E+4 -7.5027614E+1 5.1884448E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Tb+3 + 2.000H2O = TbO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -34.198
|
|
delta_h 258.906 #kJ/mol #95haa/sho
|
|
-analytic -1.9759152E+2 -3.5265685E-2 2.5663792E+3 7.3395747E+1 -1.4501139E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Tb+3 + 2.000H2O = TbO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -25.036
|
|
delta_h 219.580 #kJ/mol #95haa/sho
|
|
-analytic 2.2033529E+2 3.2200812E-2 -1.5776727E+4 -7.9521389E+1 -4.6987081E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Tb+3 + 1.000H2O = TbOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -7.827
|
|
delta_h 79.582 #kJ/mol #95haa/sho
|
|
-analytic 1.547826E+2 2.3885736E-2 -1.1340663E+4 -5.4726702E+1 3.3100949E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000SO4-2 + 1.000Tb+3 = TbSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.723
|
|
delta_h 19.266 #kJ/mol #95haa/sho
|
|
-analytic 1.6378326E+3 2.5957663E-1 -8.8820607E+4 -5.9425471E+2 5.0533778E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Tl+3 + 2.000H2O = Tl(OH)2+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -1.569
|
|
delta_h 59.815 #kJ/mol #Internal calculation
|
|
-analytic 4.276899E+2 6.2849603E-2 -2.3635778E+4 -1.5324922E+2 9.3179018E+5
|
|
#References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 17abla; V°: Default value;
|
|
|
|
1.000Tl+3 + 1.000SO4-2 = Tl(SO4)+
|
|
-llnl_gamma 4.1
|
|
log_k 4.380
|
|
delta_h 11.958 #kJ/mol #Internal calculation
|
|
-analytic 1.8636088E+3 2.9458748E-1 -1.0166459E+5 -6.7594831E+2 5.9127165E+6
|
|
#References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 17abla; V°: Default value;
|
|
|
|
1.000Tl+3 + 1.000Cl- = TlCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 7.743
|
|
delta_h -27.242 #kJ/mol #Internal calculation
|
|
-analytic 7.8251767E+2 1.2726102E-1 -4.0012323E+4 -2.8493738E+2 2.3595147E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 82wag/eva; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Cl- + 1.000Tl+ = TlCl
|
|
-llnl_gamma 3.4
|
|
log_k 0.523
|
|
delta_h -11.690 #kJ/mol #09xio
|
|
-analytic 6.4703688E+2 1.0349976E-1 -3.4122179E+4 -2.3650095E+2 1.9805354E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: 09xio; S°: Internal calculation; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Tl+3 + 2.000Cl- = TlCl2+
|
|
-llnl_gamma 4.1
|
|
log_k 13.500
|
|
delta_h -44.780 #kJ/mol #Internal calculation
|
|
-analytic 1.750453E+3 2.816997E-1 -9.1629414E+4 -6.3647215E+2 5.4486013E+6
|
|
#References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value;
|
|
|
|
1.000Tl+ + 2.000Cl- = TlCl2-
|
|
-llnl_gamma 3.6
|
|
log_k 0.003
|
|
delta_h -17.850 #kJ/mol #82wag/eva
|
|
-analytic 1.3893312E+3 2.1764915E-1 -7.5784562E+4 -5.0568142E+2 4.5547295E+6
|
|
#References = LogK/DGf: 09xio; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Tl+3 + 3.000Cl- = TlCl3
|
|
-llnl_gamma 3.4
|
|
log_k 16.500
|
|
delta_h -47.473 #kJ/mol #Internal calculation
|
|
-analytic 2.3934561E+3 3.8436306E-1 -1.2660392E+5 -8.695951E+2 7.5411857E+6
|
|
#References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value;
|
|
|
|
1.000Tl+3 + 4.000Cl- = TlCl4-
|
|
-llnl_gamma 3.6
|
|
log_k 18.340
|
|
delta_h -42.353 #kJ/mol #Internal calculation
|
|
-analytic 3.0366682E+3 4.8702642E-1 -1.6198657E+5 -1.102718E+3 9.6337701E+6
|
|
#References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value;
|
|
|
|
1.000Tl+ + 1.000HCO3- = TlCO3- + 1.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -8.170
|
|
delta_h 11.100 #kJ/mol #17abla
|
|
-analytic 7.4259247E+2 1.0785127E-1 -4.1546607E+4 -2.7059371E+2 2.3108902E+6
|
|
#References = LogK/DGf: 09xio; DHf/DHr: 17abla; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000F- + 1.000Tl+ = TlF
|
|
-llnl_gamma 3.4
|
|
log_k 0.100
|
|
delta_h 7.510 #kJ/mol #Internal calculation
|
|
-analytic 7.2685203E+2 1.1460803E-1 -3.9447315E+4 -2.6421614E+2 2.2374603E+6
|
|
#References = LogK/DGf: 09xio; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000Tl+ + 1.000HCO3- = TlHCO3
|
|
-llnl_gamma 3.4
|
|
log_k 0.900
|
|
delta_h 8.480 #kJ/mol #17abla
|
|
-analytic 6.9710431E+2 1.0785127E-1 -3.9001479E+4 -2.5199482E+2 2.3108902E+6
|
|
#References = LogK/DGf: 09xio; DHf/DHr: 17abla; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000HS- + 1.000Tl+ = TlHS
|
|
-llnl_gamma 3.4
|
|
log_k 2.710
|
|
delta_h 8.473 #kJ/mol #17abla
|
|
-analytic 7.5537387E+2 1.1564699E-1 -4.2183587E+4 -2.7228448E+2 2.497071E+6
|
|
#References = LogK/DGf: 09xio; DHf/DHr: 17abla; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Tl+3 + 2.000H2O = TlO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -14.999
|
|
delta_h 155.556 #kJ/mol #Internal calculation
|
|
-analytic -2.5181581E+2 -4.4884683E-2 1.4153163E+4 9.1700236E+1 -2.1492104E+6
|
|
#References = LogK/DGf: 81tur/whi; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Tl+3 + 1.000H2O = TlOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -0.643
|
|
delta_h 10.635 #kJ/mol #Internal calculation
|
|
-analytic 9.8777617E+1 1.4275663E-2 -4.2930168E+3 -3.6285945E+1 4.5243559E+4
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Tl+ + 1.000H2O = TlOH + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -13.310
|
|
delta_h 58.236 #kJ/mol #Internal calculation
|
|
-analytic -1.0817025E+1 -5.1018864E-3 -1.0444619E+3 2.47141E+0 -3.185702E+5
|
|
#References = LogK/DGf: 09xio; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Tl+ + 1.000H2PO4- = TlPO4-2 + 2.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -16.020
|
|
delta_h 3.600 #kJ/mol #17abla
|
|
-analytic 7.9859702E+2 1.093656E-1 -4.4043205E+4 -2.9325723E+2 2.3239556E+6
|
|
#References = LogK/DGf: 09xio; DHf/DHr: 17abla; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Tl+ + 1.000SO4-2 = TlSO4-
|
|
-llnl_gamma 3.6
|
|
log_k 1.380
|
|
delta_h -0.840 #kJ/mol #82wag/eva
|
|
-analytic 1.5130977E+3 2.3053693E-1 -8.4059499E+4 -5.4758948E+2 5.0188448E+6
|
|
#References = LogK/DGf: 09xio; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: Default value;
|
|
|
|
1.000Cl- + 1.000Tm+3 = TmCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.248
|
|
delta_h 13.021 #kJ/mol #95haa/sho
|
|
-analytic 8.2725632E+2 1.3522175E-1 -4.6781855E+4 -3.0014594E+2 2.8689264E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Tm+3 = TmCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.018
|
|
delta_h 15.499 #kJ/mol #95haa/sho
|
|
-analytic 1.5966813E+3 2.6008996E-1 -8.84748E+4 -5.8078391E+2 5.2992244E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Tm+3 = TmCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.429
|
|
delta_h 5.216 #kJ/mol #95haa/sho
|
|
-analytic 2.3311354E+3 3.7940257E-1 -1.2591841E+5 -8.5061726E+2 7.3288759E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Tm+3 = TmCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.841
|
|
delta_h -20.411 #kJ/mol #95haa/sho
|
|
-analytic 2.1934665E+3 3.5555517E-1 -1.1596197E+5 -8.0269123E+2 6.6517968E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Tm+3 = TmCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -2.096
|
|
delta_h -9.266 #kJ/mol #95haa/sho
|
|
-analytic 7.3741418E+2 1.1985883E-1 -3.6824595E+4 -2.7200984E+2 1.8965307E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000F- + 1.000Tm+3 = TmF+2
|
|
-llnl_gamma 5.7
|
|
log_k 4.848
|
|
delta_h 23.594 #kJ/mol #95haa/sho
|
|
-analytic 9.2055759E+2 1.4875293E-1 -5.1992818E+4 -3.3175993E+2 3.1328809E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000F- + 1.000Tm+3 = TmF2+
|
|
-llnl_gamma 4.1
|
|
log_k 8.451
|
|
delta_h 12.511 #kJ/mol #95haa/sho
|
|
-analytic 1.762581E+3 2.8321851E-1 -9.7201588E+4 -6.3778056E+2 5.830526E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000F- + 1.000Tm+3 = TmF3
|
|
-llnl_gamma 3.4
|
|
log_k 11.100
|
|
delta_h -12.843 #kJ/mol #95haa/sho
|
|
-analytic 2.5811298E+3 4.145936E-1 -1.3873053E+5 -9.3767144E+2 8.1666603E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000F- + 1.000Tm+3 = TmF4-
|
|
-llnl_gamma 3.6
|
|
log_k 13.309
|
|
delta_h -60.635 #kJ/mol #95haa/sho
|
|
-analytic 2.5968348E+3 4.1089632E-1 -1.3698788E+5 -9.4470499E+2 8.0925281E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000H2PO4- + 1.000Tm+3 = TmH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.037
|
|
delta_h -9.794 #kJ/mol #95haa/sho
|
|
-analytic 8.6117111E+2 1.3741492E-1 -4.9286862E+4 -3.1200594E+2 3.2217149E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Tm+3 = TmHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.789
|
|
delta_h 4.984 #kJ/mol #95haa/sho
|
|
-analytic 8.6648825E+2 1.387482E-1 -4.9876381E+4 -3.1307529E+2 3.1915913E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000NO3- + 1.000Tm+3 = TmNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.215
|
|
delta_h -34.060 #kJ/mol #95haa/sho
|
|
-analytic 7.9323793E+2 1.2571561E-1 -4.4605263E+4 -2.888348E+2 3.0049896E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Tm+3 + 1.000H2O = TmO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -15.890
|
|
delta_h 142.945 #kJ/mol #95haa/sho
|
|
-analytic 2.0545696E+2 3.3376845E-2 -1.4711688E+4 -7.3957503E+1 9.3189542E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Tm+3 + 2.000H2O = TmO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -32.659
|
|
delta_h 247.001 #kJ/mol #95haa/sho
|
|
-analytic -2.0085342E+2 -3.5879637E-2 2.6085707E+3 7.4866442E+1 -1.3431204E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Tm+3 + 2.000H2O = TmO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -24.156
|
|
delta_h 211.940 #kJ/mol #95haa/sho
|
|
-analytic 2.45708E+2 3.6308603E-2 -1.73663E+4 -8.8563737E+1 -2.9312229E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Tm+3 + 1.000H2O = TmOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -7.680
|
|
delta_h 77.123 #kJ/mol #95haa/sho
|
|
-analytic 1.5542484E+2 2.3881134E-2 -1.1537644E+4 -5.4868008E+1 3.7688406E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000SO4-2 + 1.000Tm+3 = TmSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.649
|
|
delta_h 19.684 #kJ/mol #95haa/sho
|
|
-analytic 1.6450215E+3 2.6061676E-1 -8.9241948E+4 -5.9684934E+2 5.0765906E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000U+4 + 1.000H2O = U(OH)+3 + 1.000H+
|
|
-llnl_gamma 8.2
|
|
log_k -0.533
|
|
delta_h 46.808 #kJ/mol #97bsho/sas
|
|
-analytic 1.4994368E+2 2.387185E-2 -9.5100277E+3 -5.2425834E+1 3.57955E+5
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000U+3 + 1.000H2O = UO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -12.701
|
|
delta_h 130.982 #kJ/mol #97bsho/sas
|
|
-analytic 2.0886554E+2 3.383063E-2 -1.3271703E+4 -7.5398437E+1 -5.0777344E+4
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000U+4 + 1.000H2O = UO+2 + 2.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -1.999
|
|
delta_h 73.139 #kJ/mol #97bsho/sas
|
|
-analytic 2.0859076E+2 3.4819859E-2 -1.1122129E+4 -7.4710262E+1 1.0648873E+5
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000U+4 + 2.000H2O = UO2 + 4.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -4.548
|
|
delta_h 76.066 #kJ/mol #97bsho/sas
|
|
-analytic 5.4725996E+2 9.0640876E-2 -3.0028487E+4 -1.9888477E+2 1.245457E+6
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000UO2+2 + 1.000H2O = UO2OH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -5.210
|
|
delta_h 43.313 #kJ/mol #97bsho/sas
|
|
-analytic 1.0031917E+2 1.6446281E-2 -5.9122732E+3 -3.6843066E+1 5.0064359E+4
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000UO2+ + 1.000H2O = UO2OH + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -18.155
|
|
delta_h 72.918 #kJ/mol #97bsho/sas
|
|
-analytic 2.4094706E+2 3.7064053E-2 -1.8701958E+4 -8.839972E+1 1.0057097E+6
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000UO2+2 + 1.000H2O = UO3 + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -10.304
|
|
delta_h 51.185 #kJ/mol #97bsho/sas
|
|
-analytic 2.0564115E+2 3.5316098E-2 -1.1430037E+4 -7.7304802E+1 2.7978288E+5
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000UO2+ + 1.000H2O = UO3- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -36.480
|
|
delta_h 170.532 #kJ/mol #97bsho/sas
|
|
-analytic -3.5272956E+2 -6.1588589E-2 7.3245496E+3 1.2870494E+2 -7.4903473E+5
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000UO2+2 + 2.000H2O = UO4-2 + 4.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -33.011
|
|
delta_h 142.227 #kJ/mol #97bsho/sas
|
|
-analytic -1.0830094E+3 -1.7714535E-1 5.2803562E+4 3.9125126E+2 -3.7704336E+6
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000U+3 + 1.000H2O = UOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -6.177
|
|
delta_h 73.411 #kJ/mol #97bsho/sas
|
|
-analytic 1.4477018E+2 2.2167814E-2 -9.8257942E+3 -5.1251545E+1 1.9713067E+5
|
|
#References = LogK/DGf: 97bsho/sas; DHf/DHr: Internal calculation; S°: 97bsho/sas; Cp: 97bsho/sas; V°: 97bsho/sas;
|
|
|
|
1.000V+3 + 1.000H2O = VO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -6.214
|
|
delta_h 89.338 #kJ/mol #97asho/sas
|
|
-analytic 1.8770925E+2 3.0762416E-2 -9.191893E+3 -6.8514039E+1 -2.4283861E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000VO2+ + 2.000H2O = VO4-3 + 4.000H+
|
|
-llnl_gamma 6.7
|
|
log_k -28.408
|
|
delta_h 89.131 #kJ/mol #97asho/sas
|
|
-analytic -1.3114652E+3 -2.2432087E-1 5.8918005E+4 4.8012618E+2 -3.1747366E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000V+2 + 1.000H2O = VOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -6.507
|
|
delta_h 34.502 #kJ/mol #97asho/sas
|
|
-analytic 2.0303204E+2 3.1037934E-2 -1.3814423E+4 -7.3280231E+1 7.882834E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000V+3 + 1.000H2O = VOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -2.256
|
|
delta_h 47.409 #kJ/mol #97asho/sas
|
|
-analytic 1.2096157E+2 1.845495E-2 -6.4511051E+3 -4.3279191E+1 7.9506606E+2
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000VO+2 + 1.000H2O = VOOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -5.628
|
|
delta_h 29.107 #kJ/mol #97asho/sas
|
|
-analytic 1.2330351E+2 1.8146401E-2 -7.1321182E+3 -4.5523874E+1 1.9784396E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Cl- + 1.000Yb+3 = YbCl+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.333
|
|
delta_h 13.785 #kJ/mol #95haa/sho
|
|
-analytic 8.2488423E+2 1.3489634E-1 -4.6522628E+4 -2.9931533E+2 2.835956E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000Cl- + 1.000Yb+3 = YbCl2+
|
|
-llnl_gamma 4.1
|
|
log_k -0.079
|
|
delta_h 17.474 #kJ/mol #95haa/sho
|
|
-analytic 1.5878435E+3 2.5863557E-1 -8.7707501E+4 -5.776944E+2 5.2095498E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000Cl- + 1.000Yb+3 = YbCl3
|
|
-llnl_gamma 3.4
|
|
log_k -0.565
|
|
delta_h 8.358 #kJ/mol #95haa/sho
|
|
-analytic 2.3001243E+3 3.7624264E-1 -1.238496E+5 -8.3980541E+2 7.1622904E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000Cl- + 1.000Yb+3 = YbCl4-
|
|
-llnl_gamma 3.6
|
|
log_k -0.976
|
|
delta_h -16.270 #kJ/mol #95haa/sho
|
|
-analytic 2.1638442E+3 3.5055953E-1 -1.1343596E+5 -7.9234149E+2 6.3757397E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Yb+3 = YbCO3+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -1.865
|
|
delta_h -9.464 #kJ/mol #95haa/sho
|
|
-analytic 7.4106225E+2 1.2046266E-1 -3.7100486E+4 -2.7321439E+2 1.9240136E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000F- + 1.000Yb+3 = YbF+2
|
|
-llnl_gamma 5.7
|
|
log_k 5.006
|
|
delta_h 23.066 #kJ/mol #95haa/sho
|
|
-analytic 9.1795409E+2 1.4835747E-1 -5.1674345E+4 -3.308834E+2 3.1010883E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
2.000F- + 1.000Yb+3 = YbF2+
|
|
-llnl_gamma 4.1
|
|
log_k 8.609
|
|
delta_h 11.983 #kJ/mol #95haa/sho
|
|
-analytic 1.7534876E+3 2.8169934E-1 -9.6314159E+4 -6.3465987E+2 5.7421677E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
3.000F- + 1.000Yb+3 = YbF3
|
|
-llnl_gamma 3.4
|
|
log_k 11.331
|
|
delta_h -13.539 #kJ/mol #95haa/sho
|
|
-analytic 2.5629877E+3 4.114338E-1 -1.3704775E+5 -9.3138904E+2 8.000081E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
4.000F- + 1.000Yb+3 = YbF4-
|
|
-llnl_gamma 3.6
|
|
log_k 13.541
|
|
delta_h -60.458 #kJ/mol #95haa/sho
|
|
-analytic 2.5622312E+3 4.0508844E-1 -1.3402564E+5 -9.3263429E+2 7.8047796E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000H2PO4- + 1.000Yb+3 = YbH2PO4+2
|
|
-llnl_gamma 5.7
|
|
log_k 1.268
|
|
delta_h -9.505 #kJ/mol #95haa/sho
|
|
-analytic 8.5853809E+2 1.370498E-1 -4.8983311E+4 -3.1106042E+2 3.1875313E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000HCO3- + 1.000Yb+3 = YbHCO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 2.014
|
|
delta_h 5.195 #kJ/mol #95haa/sho
|
|
-analytic 8.6528139E+2 1.3862051E-1 -4.9643048E+4 -3.1266004E+2 3.1613912E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000NO3- + 1.000Yb+3 = YbNO3+2
|
|
-llnl_gamma 5.7
|
|
log_k 0.373
|
|
delta_h -32.716 #kJ/mol #95haa/sho
|
|
-analytic 7.8981467E+2 1.2529386E-1 -4.4290871E+4 -2.87586E+2 2.9660968E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Yb+3 + 1.000H2O = YbO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -15.585
|
|
delta_h 142.704 #kJ/mol #95haa/sho
|
|
-analytic 2.0861033E+2 3.3977007E-2 -1.483219E+4 -7.5048398E+1 9.9930406E+4
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Yb+3 + 2.000H2O = YbO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -32.501
|
|
delta_h 247.846 #kJ/mol #95haa/sho
|
|
-analytic -2.0532378E+2 -3.6413396E-2 2.9680257E+3 7.6478357E+1 -1.3792715E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Yb+3 + 2.000H2O = YbO2H + 3.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -23.705
|
|
delta_h 210.986 #kJ/mol #95haa/sho
|
|
-analytic 2.4276523E+2 3.5582437E-2 -1.7020496E+4 -8.7428351E+1 -3.2501542E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Yb+3 + 1.000H2O = YbOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -7.449
|
|
delta_h 77.175 #kJ/mol #95haa/sho
|
|
-analytic 1.5766009E+2 2.4335116E-2 -1.1632886E+4 -5.5626954E+1 3.8205078E+5
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000SO4-2 + 1.000Yb+3 = YbSO4+
|
|
-llnl_gamma 4.1
|
|
log_k 3.807
|
|
delta_h 19.531 #kJ/mol #95haa/sho
|
|
-analytic 1.6441652E+3 2.605671E-1 -8.9159178E+4 -5.9652084E+2 5.0711413E+6
|
|
#References = LogK/DGf: 95haa/sho; DHf/DHr: Internal calculation; S°: 95haa/sho; Cp: 95haa/sho; V°: 95haa/sho;
|
|
|
|
1.000Y+3 + 1.000H2O = YO+ + 2.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -16.403
|
|
delta_h 144.876 #kJ/mol #97asho/sas
|
|
-analytic 1.7383177E+2 2.839874E-2 -1.2141049E+4 -6.3107802E+1 -1.6216002E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Y+3 + 2.000H2O = YO2- + 4.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -36.471
|
|
delta_h 267.261 #kJ/mol #97asho/sas
|
|
-analytic -2.2299951E+2 -3.9318553E-2 3.5552163E+3 8.2320621E+1 -1.5440345E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Y+3 + 1.000H2O = YOH+2 + 1.000H+
|
|
-llnl_gamma 5.7
|
|
log_k -7.680
|
|
delta_h 76.375 #kJ/mol #97asho/sas
|
|
-analytic 1.2386246E+2 1.8873335E-2 -8.8238344E+3 -4.4022432E+1 1.2057058E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H2AsO4- + 1.000Zn+2 = ZnAsO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -11.060
|
|
delta_h 84.463 #kJ/mol #Internal calculation
|
|
-analytic 2.6280073E+2 3.475728E-2 -1.4939568E+4 -9.5458814E+1 1.8580958E+5
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000Cl- + 1.000Zn+2 = ZnCl+
|
|
-llnl_gamma 4.1
|
|
log_k 0.211
|
|
delta_h 43.294 #kJ/mol #97sve/sho
|
|
-analytic 9.1361445E+2 1.4753515E-1 -5.2117963E+4 -3.2997759E+2 3.0154093E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
2.000Cl- + 1.000Zn+2 = ZnCl2
|
|
-llnl_gamma 3.4
|
|
log_k 0.276
|
|
delta_h 31.078 #kJ/mol #97sve/sho
|
|
-analytic 1.6355779E+3 2.6390977E-1 -9.1712261E+4 -5.9323753E+2 5.4709533E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
3.000Cl- + 1.000Zn+2 = ZnCl3-
|
|
-llnl_gamma 3.6
|
|
log_k 0.018
|
|
delta_h 13.142 #kJ/mol #97sve/sho
|
|
-analytic 1.6985673E+3 2.7606491E-1 -9.5952687E+4 -6.1670256E+2 5.9522014E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000F- + 1.000Zn+2 = ZnF+
|
|
-llnl_gamma 4.1
|
|
log_k 1.190
|
|
delta_h 2.798 #kJ/mol #97sve/sho
|
|
-analytic 8.9752817E+2 1.4255028E-1 -5.0262611E+4 -3.2528594E+2 3.0793424E+6
|
|
#References = LogK/DGf: 97sve/sho; DHf/DHr: Internal calculation; S°: 97sve/sho; Cp: 97sve/sho; V°: 97sve/sho;
|
|
|
|
1.000H2AsO4- + 1.000Zn+2 = ZnH2AsO4+
|
|
-llnl_gamma 4.1
|
|
log_k 0.526
|
|
delta_h -5.620 #kJ/mol #Internal calculation
|
|
-analytic 8.396717E+2 1.3021386E-1 -4.7011903E+4 -3.0428997E+2 2.9028133E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2PO4- + 1.000Zn+2 = ZnH2PO4+
|
|
-llnl_gamma 4.1
|
|
log_k 1.593
|
|
#References = LogK/DGf: 73bnri;
|
|
#References = LogK/DGf: 73bnri; V°: Default value;
|
|
|
|
1.000H2AsO4- + 1.000Zn+2 = ZnHAsO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.946
|
|
delta_h 7.927 #kJ/mol #Internal calculation
|
|
-analytic -4.3975368E+2 -5.7657456E-2 -2.1643265E+4 1.8509704E+2 6.0073968E+6
|
|
#References = LogK/DGf: 07mar/acc; DHf/DHr: Internal calculation; S°: 07mar/acc; Cp: 07mar/acc; V°: 07mar/acc;
|
|
|
|
1.000H2PO4- + 1.000Zn+2 = ZnHPO4 + 1.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -3.912
|
|
#References = LogK/DGf: 73bnri;
|
|
#References = LogK/DGf: 73bnri; V°: Default value;
|
|
|
|
1.000Zn+2 + 1.000H2O = ZnO + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -17.927
|
|
delta_h 111.664 #kJ/mol #97asho/sas
|
|
-analytic 2.7777296E+2 4.3494159E-2 -1.9035993E+4 -1.0159021E+2 5.8289371E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Zn+2 + 2.000H2O = ZnO2-2 + 4.000H+
|
|
-llnl_gamma 4.7
|
|
log_k -40.509
|
|
delta_h 172.305 #kJ/mol #97asho/sas
|
|
-analytic -9.7295827E+2 -1.6187649E-1 4.2449993E+4 3.5246165E+2 -3.0054003E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000Zn+2 + 1.000H2O = ZnOH+ + 1.000H+
|
|
-llnl_gamma 4.1
|
|
log_k -7.834
|
|
delta_h 75.257 #kJ/mol #97asho/sas
|
|
-analytic 2.3584815E+2 3.4874931E-2 -1.6156931E+4 -8.3813428E+1 6.6682543E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000H2PO4- + 1.000Zn+2 = ZnPO4- + 2.000H+
|
|
-llnl_gamma 3.6
|
|
log_k -11.514
|
|
#References = LogK/DGf: 79mat/spo;
|
|
#References = LogK/DGf: 79mat/spo; V°: Default value;
|
|
|
|
1.000ZrO+2 + 2.000H+ = Zr+4 + 1.000H2O
|
|
-llnl_gamma 11.0
|
|
log_k 1.721
|
|
delta_h -59.949 #kJ/mol #97asho/sas
|
|
-analytic -2.4476261E+2 -4.0474856E-2 1.3976089E+4 8.7639781E+1 -4.6082932E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000ZrO+2 + 1.000H2O = ZrO2 + 2.000H+
|
|
-llnl_gamma 3.4
|
|
log_k -7.973
|
|
delta_h 36.757 #kJ/mol #97asho/sas
|
|
-analytic 3.9674511E+2 6.5971072E-2 -2.4251064E+4 -1.4502298E+2 1.4045832E+6
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
1.000ZrO+2 + 1.000H+ = ZrOH+3
|
|
-llnl_gamma 5.0
|
|
log_k 2.052
|
|
delta_h -34.419 #kJ/mol #97asho/sas
|
|
-analytic -4.2410573E+1 -8.4292559E-3 8.5854081E+2 1.6257399E+1 3.4390503E+5
|
|
#References = LogK/DGf: 97asho/sas; DHf/DHr: Internal calculation; S°: 97asho/sas; Cp: 97asho/sas; V°: 97asho/sas;
|
|
|
|
|
|
|
|
|
|
PHASES
|
|
Fix_H+ # A tips to keep constant the pH during calculation by adding or removing acid or base / Necessary when you know the final pH of the sample
|
|
H+ = H+
|
|
log_k 0.0
|
|
|
|
2K2SO4.Fe2(SO4)3:14H2O
|
|
K4Fe2(SO4)5:14H2O = 2.000Fe+3 + 4.000K+ + 5.000SO4-2 + 14.000H2O
|
|
log_k -13.051
|
|
#References = LogK/DGf: 04chr;
|
|
#References = LogK/DGf: 04chr; V°: Default value;
|
|
|
|
2KCl.FeCl3:H2O
|
|
K2FeCl5:H2O = 5.000Cl- + 1.000Fe+3 + 2.000K+ + 1.000H2O
|
|
log_k 5.630
|
|
#References = LogK/DGf: 04chr;
|
|
#References = LogK/DGf: 04chr; V°: Default value;
|
|
|
|
Acanthite(alpha)
|
|
Ag2S + 1.000H+ = 2.000Ag+ + 1.000HS-
|
|
log_k -36.070
|
|
delta_h -641.936 #kJ/mol #78hel/del
|
|
-analytic -8.8668683E+2 -1.3249431E-1 3.795628E+4 3.2177022E+2 -2.9677377E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Adamite
|
|
Zn2AsO4(OH) + 3.000H+ = 1.000H2AsO4- + 2.000Zn+2 + 1.000H2O
|
|
log_k 5.710
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
Aegerine(alpha)
|
|
NaFe(SiO3)2 + 4.000H+ + 2.000H2O = 1.000Fe+3 + 1.000Na+ + 2.000H4SiO4
|
|
log_k 0.912
|
|
delta_h 43.313 #kJ/mol #95rob/hem
|
|
-analytic -7.406299E+2 -1.212207E-1 3.8435485E+4 2.6988839E+2 -1.6934447E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del;
|
|
|
|
Afwillite
|
|
Ca3Si2O4(OH)6 + 6.000H+ = 3.000Ca+2 + 2.000H4SiO4 + 2.000H2O
|
|
log_k 49.419
|
|
delta_h -269.228 #kJ/mol #10abla/bou
|
|
-analytic -8.9495681E+2 -1.4090315E-1 5.8099033E+4 3.2930349E+2 -2.072877E+6
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 52meg;
|
|
|
|
Ag(element)
|
|
Ag + 0.500O2 + 2.000H+ = 1.000Ag+2 + 1.000H2O
|
|
log_k -4.138
|
|
delta_h -34.108 #kJ/mol #Internal calculation
|
|
-analytic -3.8808912E+2 -5.9880852E-2 2.1889053E+4 1.3861309E+2 -1.2978849E+6
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Ag2O
|
|
Ag2O + 2.000H+ = 2.000Ag+ + 1.000H2O
|
|
log_k 12.569
|
|
delta_h -43.307 #kJ/mol #Internal calculation
|
|
-analytic -2.6503701E+2 -3.0442903E-2 1.7771454E+4 9.5717874E+1 -8.685479E+5
|
|
#References = LogK/DGf: 74nau/ryz; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 74nau/ryz;
|
|
|
|
Akermanite
|
|
Ca2MgSi2O7 + 6.000H+ + 1.000H2O = 2.000Ca+2 + 1.000Mg+2 + 2.000H4SiO4
|
|
log_k 46.084
|
|
delta_h -312.880 #kJ/mol #Internal calculation
|
|
-analytic -9.9888741E+2 -1.6370527E-1 6.532027E+4 3.6454937E+2 -2.4319821E+6
|
|
#References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh;
|
|
|
|
Al(element)
|
|
Al + 0.750O2 + 3.000H+ = 1.000Al+3 + 1.500H2O
|
|
log_k 149.922
|
|
delta_h -958.045 #kJ/mol #By convention
|
|
-analytic -5.9569614E+2 -9.7790495E-2 8.196932E+4 2.1101875E+2 -1.9826646E+6
|
|
#References = S°: 89cox/wag; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Alabandite
|
|
MnS + 1.000H+ = 1.000Mn+2 + 1.000HS-
|
|
log_k -0.003
|
|
delta_h -892.939 #kJ/mol #Internal calculation
|
|
-analytic -9.5453269E+2 -1.5284532E-1 5.2895279E+4 3.4627472E+2 -3.035299E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Alamosite
|
|
PbSiO3 + 2.000H+ + 1.000H2O = 1.000Pb+2 + 1.000H4SiO4
|
|
log_k 6.173
|
|
delta_h -29.451 #kJ/mol #98cha
|
|
-analytic -3.4667488E+2 -5.7187538E-2 1.8994912E+4 1.2780121E+2 -8.9311262E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 94pan;
|
|
|
|
Albite(low)
|
|
NaAlSi3O8 + 4.000H+ + 4.000H2O = 1.000Al+3 + 1.000Na+ + 3.000H4SiO4
|
|
log_k 2.996
|
|
delta_h -84.003 #kJ/mol #95rob/hem
|
|
-analytic -7.9517148E+2 -1.3560657E-1 4.136093E+4 2.9057117E+2 -1.7001681E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
AlF3
|
|
AlF3 = 1.000Al+3 + 3.000F-
|
|
log_k -17.324
|
|
delta_h -34.050 #kJ/mol #89cox/wag
|
|
-analytic -2.536379E+3 -4.1169235E-1 1.3845573E+5 9.1690139E+2 -8.1243733E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Almandine(alpha)
|
|
Fe3Al2Si3O12 + 12.000H+ = 2.000Al+3 + 3.000Fe+2 + 3.000H4SiO4
|
|
log_k 42.164
|
|
delta_h -465.683 #kJ/mol #95rob/hem
|
|
-analytic -2.0747602E+3 -3.4400542E-1 1.2649788E+5 7.4967969E+2 -5.3176103E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Alunite(K)
|
|
KAl3(OH)6(SO4)2 + 6.000H+ = 3.000Al+3 + 1.000K+ + 2.000SO4-2 + 6.000H2O
|
|
log_k -0.531
|
|
delta_h -230.738 #kJ/mol #Internal calculation
|
|
-analytic -3.9372227E+3 -6.4645916E-1 2.2226074E+5 1.4239813E+3 -1.2407909E+7
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Alunite(Na)
|
|
NaAl3(SO4)2(OH)6 + 6.000H+ = 3.000Al+3 + 1.000Na+ + 2.000SO4-2 + 6.000H2O
|
|
log_k 2.332
|
|
delta_h -257.759 #kJ/mol #Internal calculation
|
|
-analytic -4.202779E+3 -6.862295E-1 2.3740304E+5 1.5199984E+3 -1.3127781E+7
|
|
#References = LogK/DGf: 90sto/cyg; DHf/DHr: Internal calculation; S°: 90sto/cyg; Cp: 90sto/cyg; V°: Default value;
|
|
|
|
Amesite
|
|
Mg4Al2(Al2Si2)O10(OH)8 + 20.000H+ = 4.000Al+3 + 4.000Mg+2 + 2.000H4SiO4 + 10.000H2O
|
|
log_k 69.386
|
|
delta_h -766.388 #kJ/mol #05vid/par
|
|
-analytic -3.2797388E+3 -5.2672257E-1 2.0325343E+5 1.1802283E+3 -8.5289928E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05vid/par; S°: 05vid/par; Cp: 05vid/par; V°: 05vid/par;
|
|
|
|
Amesite(Fe)
|
|
Fe4Al2(Al2Si2)O10(OH)8 + 20.000H+ = 4.000Al+3 + 4.000Fe+2 + 2.000H4SiO4 + 10.000H2O
|
|
log_k 57.018
|
|
delta_h -686.828 #kJ/mol #05vid/par
|
|
-analytic -3.1787916E+3 -5.1645017E-1 1.9379716E+5 1.1448985E+3 -8.2836278E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05vid/par; S°: 05vid/par; Cp: 05vid/par; V°: 05vid/par;
|
|
|
|
Amorphous_silica
|
|
SiO2 + 2.000H2O = 1.000H4SiO4
|
|
log_k -2.700
|
|
delta_h 13.616 #kJ/mol #00gun/arn
|
|
-analytic -7.5442279E+1 -1.3954755E-2 2.382603E+3 2.8303328E+1 -9.9813899E+4
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 00gun/arn; S°: 00gun/arn; Cp: 00gun/arn; V°: 78hel/del;
|
|
|
|
Analcime
|
|
Na0.99Al0.99Si2.01O6:H2O + 3.960H+ + 1.040H2O = 0.990Al+3 + 0.990Na+ + 2.010H4SiO4
|
|
log_k 6.644
|
|
delta_h -102.690 #kJ/mol #04neu/hov
|
|
-analytic -7.3535625E+2 -1.2074917E-1 4.0614895E+4 2.6709108E+2 -1.6996879E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04neu/hov; S°: 82joh/flo, 04neu/hov; Cp: 82joh/flo; V°: 97coo/alb;
|
|
|
|
Andalusite
|
|
Al2SiO5 + 6.000H+ = 2.000Al+3 + 1.000H4SiO4 + 1.000H2O
|
|
log_k 16.200
|
|
delta_h -246.943 #kJ/mol #Internal calculation
|
|
-analytic -9.4491085E+2 -1.6161079E-1 5.8544159E+4 3.3942223E+2 -2.3949134E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Andradite
|
|
Ca3Fe2Si3O12 + 12.000H+ = 3.000Ca+2 + 2.000Fe+3 + 3.000H4SiO4
|
|
log_k 33.771
|
|
delta_h -137.101 #kJ/mol #Internal calculation
|
|
-analytic -1.7750635E+3 -3.0215418E-1 1.0225104E+5 6.4762814E+2 -4.1374034E+6
|
|
#References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh;
|
|
|
|
Anglesite
|
|
PbSO4 = 1.000Pb+2 + 1.000SO4-2
|
|
log_k -7.848
|
|
delta_h 11.550 #kJ/mol #89cox/wag
|
|
-analytic -1.6531981E+3 -2.6395827E-1 9.1052323E+4 5.9877998E+2 -5.5988089E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 78hel/del; V°: 95rob/hem;
|
|
|
|
Anhydrite
|
|
CaSO4 = 1.000Ca+2 + 1.000SO4-2
|
|
log_k -4.436
|
|
delta_h -17.940 #kJ/mol #95rob/hem
|
|
-analytic -1.6180783E+3 -2.6204431E-1 8.9585348E+4 5.8663288E+2 -5.3589324E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Annite
|
|
KFe3(AlSi3)O10(OH)2 + 10.000H+ = 1.000Al+3 + 3.000Fe+2 + 1.000K+ + 3.000H4SiO4
|
|
log_k 32.755
|
|
delta_h -313.153 #kJ/mol #92cir/nav
|
|
-analytic -1.6418531E+3 -2.7064069E-1 9.6776711E+4 5.9663958E+2 -4.0567843E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 92cir/nav; S°: 95dac/ben; Cp: 95dac/ben; V°: 78hel/del;
|
|
|
|
Anorthite
|
|
Ca(Al2Si2)O8 + 8.000H+ = 2.000Al+3 + 1.000Ca+2 + 2.000H4SiO4
|
|
log_k 24.224
|
|
delta_h -308.188 #kJ/mol #95rob/hem
|
|
-analytic -1.2541786E+3 -2.1480513E-1 7.6226681E+4 4.5313217E+2 -3.0636629E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Antarcticite
|
|
CaCl2:6H2O = 1.000Ca+2 + 2.000Cl- + 6.000H2O
|
|
log_k 3.939
|
|
delta_h 13.990 #kJ/mol #87gar/par
|
|
-analytic -1.5031522E+3 -2.192157E-1 8.01557E+4 5.4683953E+2 -4.4012858E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; V°: 63wyc;
|
|
|
|
Anthophyllite
|
|
Mg7Si8O22(OH)2 + 14.000H+ + 8.000H2O = 7.000Mg+2 + 8.000H4SiO4
|
|
log_k 73.751
|
|
delta_h -601.914 #kJ/mol #95rob/hem
|
|
-analytic -2.8758921E+3 -4.6730293E-1 1.6983684E+5 1.0481122E+3 -6.5916202E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Antigorite
|
|
Mg48Si34O85(OH)62 + 96.000H+ = 48.000Mg+2 + 34.000H4SiO4 + 11.000H2O
|
|
log_k 499.883
|
|
delta_h -3822.754 #kJ/mol #98hol/pow
|
|
-analytic -1.7937737E+4 -2.8167781E+0 1.0790974E+6 6.5213513E+3 -4.2537913E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 98hol/pow; Cp: 98hol/pow; V°: 98hol/pow;
|
|
|
|
Aplowite
|
|
CoSO4:H2O = 1.000Co+2 + 1.000SO4-2 + 1.000H2O
|
|
log_k -1.050
|
|
delta_h -52.050 #kJ/mol #74nau/ryz
|
|
-analytic -1.6977806E+3 -2.6156887E-1 9.5472539E+4 6.1264708E+2 -5.4629265E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; V°: 94pan;
|
|
|
|
Aragonite
|
|
CaCO3 + 1.000H+ = 1.000HCO3- + 1.000Ca+2
|
|
log_k 2.014
|
|
delta_h -25.150 #kJ/mol #87gar/par
|
|
-analytic -8.5903123E+2 -1.3909109E-1 4.7686355E+4 3.1246945E+2 -2.7210775E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; Cp: 87gar/par; V°: 78hel/del,82plu/bus;
|
|
|
|
Arcanite
|
|
K2(SO4) = 2.000K+ + 1.000SO4-2
|
|
log_k -1.849
|
|
delta_h 24.080 #kJ/mol #98cha
|
|
-analytic -1.4896046E+3 -2.3691432E-1 8.216249E+4 5.4168296E+2 -5.1151218E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Argutite(alpha)
|
|
GeO2 + 2.000H2O = 1.000Ge(OH)4
|
|
log_k -5.021
|
|
delta_h 34.742 #kJ/mol #98pok/sch
|
|
-analytic -1.9377128E+2 -2.6476754E-2 9.1208986E+3 6.9974681E+1 -6.3070701E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98pok/sch; S°: 98pok/sch; Cp: 98pok/sch; V°: 98pok/sch;
|
|
|
|
Argutite(beta)
|
|
GeO2 + 2.000H2O = 1.000Ge(OH)4
|
|
log_k -1.972
|
|
#delta_h 0.000 #kJ/mol
|
|
-analytic -1.9190781E+2 -2.5696884E-2 1.0260385E+4 6.8827626E+1 -6.3342241E+5
|
|
#References = LogK/DGf: Internal calculation; Cp: 98pok/sch; V°: Default value;
|
|
|
|
Arsenocrandallite
|
|
CaAl3(AsO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000Ca+2 + 6.000H2O
|
|
log_k 10.139
|
|
#References = LogK/DGf: 93sch/got;
|
|
#References = LogK/DGf: 93sch/got; V°: Default value;
|
|
|
|
Arsenoflorencite(Ce)
|
|
CeAl3(AsO4)2(OH)6 + 10.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000Ce+3 + 6.000H2O
|
|
log_k 9.343
|
|
#References = LogK/DGf: 93sch/got;
|
|
#References = LogK/DGf: 93sch/got; V°: Default value;
|
|
|
|
Arsenoflorencite(La)
|
|
LaAl3(AsO4)2(OH)6 + 10.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000La+3 + 6.000H2O
|
|
log_k 9.620
|
|
#References = LogK/DGf: 93sch/got;
|
|
#References = LogK/DGf: 93sch/got; V°: Default value;
|
|
|
|
Arsenogorceixite
|
|
BaAl3(AsO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000Ba+2 + 6.000H2O
|
|
log_k 7.107
|
|
#References = LogK/DGf: 93sch/got;
|
|
#References = LogK/DGf: 93sch/got; V°: Default value;
|
|
|
|
Arsenogoyazite
|
|
SrAl3(AsO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000Sr+2 + 6.000H2O
|
|
log_k 9.925
|
|
#References = LogK/DGf: 93sch/got;
|
|
#References = LogK/DGf: 93sch/got; V°: Default value;
|
|
|
|
Arsenolite
|
|
As2O3 + 3.000H2O = 2.000H2AsO3- + 2.000H+
|
|
log_k -19.860
|
|
delta_h -292.780 #kJ/mol #Internal calculation
|
|
-analytic -5.6102814E+2 -1.0192874E-1 2.0917516E+4 2.0807283E+2 -1.1967234E+6
|
|
#References = LogK/DGf: 96pok/gou; DHf/DHr: Internal calculation; S°: 96pok/gou; Cp: 96pok/gou; V°: 96pok/gou;
|
|
|
|
Arsenopyrite
|
|
FeAsS + 1.000H+ + 1.500H2O = 1.000AsH3 + 1.000Fe+2 + 1.000HS- + 0.750O2
|
|
log_k -92.127
|
|
delta_h -1296.440 #kJ/mol #Internal calculation
|
|
-analytic -6.0251263E+2 -1.0058457E-1 2.3258322E+3 2.2199275E+2 -1.4874118E+6
|
|
#References = LogK/DGf: 08per/pok; DHf/DHr: Internal calculation; S°: 08per/pok; Cp: 08per/pok; V°: 08per/pok;
|
|
|
|
Artinite
|
|
Mg2(OH)2(CO3):3H2O + 3.000H+ = 1.000HCO3- + 2.000Mg+2 + 5.000H2O
|
|
log_k 20.136
|
|
delta_h -132.468 #kJ/mol #73hem/rob
|
|
-analytic -1.1867161E+3 -1.8267755E-1 6.9943006E+4 4.3083069E+2 -3.4966396E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 73hem/rob; S°: 72hem/rob; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
As(element)
|
|
As + 1.500H2O = 1.000AsH3 + 0.750O2
|
|
log_k -81.937
|
|
delta_h -465.737 #kJ/mol #Internal calculation
|
|
-analytic 2.5055717E+2 3.970253E-2 -4.134511E+4 -8.8495171E+1 1.1837015E+6
|
|
#References = S°: 73hul/des; Cp: 73hul/des; V°: 96pok/gou;
|
|
|
|
As2O5
|
|
As2O5 + 3.000H2O = 2.000H2AsO4- + 2.000H+
|
|
log_k 2.242
|
|
delta_h -36.939 #kJ/mol #01gas/aza
|
|
-analytic -1.1057586E+3 -1.8607046E-1 6.2340868E+4 4.0250341E+2 -3.6964597E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 01gas/aza; S°: 01gas/aza; Cp: 01gas/aza; V°: 84pan/stu;
|
|
|
|
Au(element)
|
|
Au + 0.750O2 + 3.000H+ = 1.000Au+3 + 1.500H2O
|
|
log_k -11.448
|
|
delta_h 49.202 #kJ/mol #Internal calculation
|
|
-analytic -5.9281352E+2 -9.3575653E-2 3.2164366E+4 2.1116629E+2 -1.8784565E+6
|
|
#References = S°: 95rob/hem; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Augelite
|
|
Al2PO4(OH)3 + 5.000H+ = 2.000Al+3 + 1.000H2PO4- + 3.000H2O
|
|
log_k 10.273
|
|
#References = LogK/DGf: 79vie/tar;
|
|
#References = LogK/DGf: 79vie/tar; V°: 63wyc;
|
|
|
|
Austinite
|
|
CaZnAsO4(OH) + 3.000H+ = 1.000H2AsO4- + 1.000Ca+2 + 1.000Zn+2 + 1.000H2O
|
|
log_k 6.880
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
Azurite
|
|
Cu3(OH)2(CO3)2 + 4.000H+ = 2.000HCO3- + 3.000Cu+2 + 2.000H2O
|
|
log_k 3.747
|
|
delta_h -83.679 #kJ/mol #Internal calculation
|
|
-analytic -2.1448754E+3 -3.4196657E-1 1.1800361E+5 7.7882015E+2 -6.4310505E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 78hel/del;
|
|
|
|
B(OH)3
|
|
B(OH)3 = 1.000B(OH)3
|
|
log_k -0.158
|
|
delta_h 22.474 #kJ/mol #89cox/wag
|
|
-analytic -1.628273E+2 -2.107058E-2 8.2790335E+3 5.9514336E+1 -5.4057728E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
B2O3
|
|
B2O3 + 3.000H2O = 2.000B(OH)3
|
|
log_k 5.569
|
|
delta_h -13.662 #kJ/mol #89cox/wag
|
|
-analytic -3.4280383E+2 -4.5698084E-2 2.1548261E+4 1.2316096E+2 -1.336014E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Ba3(AsO4)2
|
|
Ba3(AsO4)2 + 4.000H+ = 2.000H2AsO4- + 3.000Ba+2
|
|
log_k 15.320
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: Default value;
|
|
|
|
BaHAsO4:H2O
|
|
BaHAsO4:H2O + 1.000H+ = 1.000H2AsO4- + 1.000Ba+2 + 1.000H2O
|
|
log_k -6.040
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: Default value;
|
|
|
|
BaHPO4
|
|
BaHPO4 + 1.000H+ = 1.000Ba+2 + 1.000H2PO4-
|
|
log_k -7.410
|
|
delta_h -25.577 #kJ/mol #71par/wag
|
|
-analytic -9.1214193E+2 -1.4086019E-1 5.0076197E+4 3.274915E+2 -2.8075543E+6
|
|
#References = LogK/DGf: 66spi/mik; DHf/DHr: 71par/wag; S°: Internal calculation; V°: Default value;
|
|
|
|
Barite
|
|
BaSO4 = 1.000Ba+2 + 1.000SO4-2
|
|
log_k -10.051
|
|
delta_h 26.335 #kJ/mol #Internal calculation
|
|
-analytic -1.5795476E+3 -2.5599275E-1 8.5701092E+4 5.7308831E+2 -5.3061761E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Bassanite
|
|
CaSO4:0.5H2O = 1.000Ca+2 + 1.000SO4-2 + 0.500H2O
|
|
log_k -3.920
|
|
delta_h -17.358 #kJ/mol #Internal calculation
|
|
-analytic -1.5729035E+3 -2.5188116E-1 8.755323E+4 5.6963784E+2 -5.2540419E+6
|
|
#References = LogK/DGf: 06bla/las; DHf/DHr: Internal calculation; S°: CODATA87; Cp: 06bla/pia; V°: 93bar;
|
|
|
|
Beidellite(Ca)
|
|
Ca0.17Al2.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 2.340Al+3 + 0.170Ca+2 + 3.660H4SiO4
|
|
log_k 5.772
|
|
delta_h -207.636 #kJ/mol #15bla/vie
|
|
-analytic -1.3355791E+3 -2.2568605E-1 7.4303954E+4 4.8279924E+2 -3.131931E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Beidellite(K)
|
|
K0.34Al2.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 2.340Al+3 + 0.340K+ + 3.660H4SiO4
|
|
log_k 4.603
|
|
delta_h -189.103 #kJ/mol #15bla/vie
|
|
-analytic -1.3190472E+3 -2.2258811E-1 7.2702972E+4 4.7730921E+2 -3.102583E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Beidellite(Mg)
|
|
Mg0.17Al2.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 2.340Al+3 + 0.170Mg+2 + 3.660H4SiO4
|
|
log_k 5.227
|
|
delta_h -208.816 #kJ/mol #15bla/vie
|
|
-analytic -1.3521676E+3 -2.2765027E-1 7.525898E+4 4.8845306E+2 -3.1820933E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Beidellite(Na)
|
|
Na0.34Al2.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 2.340Al+3 + 0.340Na+ + 3.660H4SiO4
|
|
log_k 5.101
|
|
delta_h -197.721 #kJ/mol #15bla/vie
|
|
-analytic -1.3386993E+3 -2.2463256E-1 7.4157253E+4 4.8394872E+2 -3.1512349E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
BeidelliteSBId
|
|
Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 + 7.704H+ + 2.296H2O = 2.238Al+3 + 0.185Ca+2 + 0.112Fe+3 + 0.104K+ + 0.090Mg+2 + 3.574H4SiO4
|
|
log_k 7.581
|
|
delta_h -213.413 #kJ/mol #12gai/bla
|
|
-analytic -1.3787656E+3 -2.3939016E-1 7.6094677E+4 5.0012905E+2 -3.1147421E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 12gai/bla; S°: 12gai/bla; Cp: 12gai/bla; V°: 12gai/bla;
|
|
|
|
Berlinite
|
|
AlPO4 + 2.000H+ = 1.000Al+3 + 1.000H2PO4-
|
|
log_k 1.207
|
|
delta_h -107.151 #kJ/mol #Internal calculation
|
|
-analytic -1.0573784E+3 -1.7484921E-1 6.1600955E+4 3.8046739E+2 -3.3188486E+6
|
|
#References = LogK/DGf: 82wag/eva; DHf/DHr: Internal calculation; S°: 68wag/eva; Cp: 74nau/ryz, 76wag/eva, 71par/wag; V°: 95rob/hem;
|
|
|
|
Berndtite
|
|
SnS2 + 0.750H2O = 1.500HS- + 1.000Sn+2 + 0.250S2O3-2
|
|
log_k -32.150
|
|
delta_h -1345.463 #kJ/mol #Internal calculation
|
|
-analytic -1.5831678E+3 -2.5536788E-1 7.8446309E+4 5.7537073E+2 -5.3044545E+6
|
|
#References = LogK/DGf: 85jac/hel; DHf/DHr: Internal calculation; S°: 85jac/hel; Cp: 85jac/hel; V°: 85jac/hel;
|
|
|
|
BerthierineISGS
|
|
(Si1.332Al0.668)(Al0.976Fe1.622Mg0.157)O5(OH)4 + 8.672H+ = 1.644Al+3 + 1.440Fe+2 + 0.157Mg+2 + 1.332H4SiO4 + 0.182Fe+3 + 3.672H2O
|
|
log_k 27.914
|
|
delta_h -300.389 #kJ/mol #14bla/gai
|
|
-analytic -1.4276745E+3 -2.2611664E-1 8.8218864E+4 5.1303234E+2 -3.7644318E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 14bla/gai; S°: 14bla/gai; Cp: 14bla/gai; V°: 14bla/gai;
|
|
|
|
Berthierine(FeII)
|
|
(Fe2Al)(SiAl)O5(OH)4 + 10.000H+ = 2.000Al+3 + 2.000Fe+2 + 1.000H4SiO4 + 5.000H2O
|
|
log_k 34.564
|
|
delta_h -376.684 #kJ/mol #15bla/vie
|
|
-analytic -1.6002897E+3 -2.5384816E-1 1.0057852E+5 5.7464339E+2 -4.3309794E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Berthierine(FeIII)
|
|
(Fe2.67Al0.33)(Si1.34Al0.66)O5(OH)4 + 8.640H+ = 0.990Al+3 + 2.340Fe+2 + 1.340H4SiO4 + 0.330Fe+3 + 3.640H2O
|
|
log_k 28.806
|
|
delta_h -267.547 #kJ/mol #15bla/vie
|
|
-analytic -1.4124955E+3 -2.2245289E-1 8.6891604E+4 5.085334E+2 -3.7462466E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Berthierite
|
|
FeSb2S4 + 6.000H2O = 1.000Fe+2 + 4.000HS- + 2.000Sb(OH)3 + 2.000H+
|
|
log_k -61.051
|
|
delta_h -3167.239 #kJ/mol #Internal calculation
|
|
-analytic -2.8385187E+3 -4.707434E-1 1.3512197E+5 1.0358927E+3 -8.7675587E+6
|
|
#References = LogK/DGf: 92sea/rob; DHf/DHr: Internal calculation; S°: 92sea/rob; Cp: 92sea/rob; V°: 92sea/rob;
|
|
|
|
Beudantite
|
|
PbFe3(AsO4)2(OH)5:H2O + 9.000H+ = 2.000H2AsO4- + 3.000Fe+3 + 1.000Pb+2 + 6.000H2O
|
|
log_k -9.350
|
|
#References = LogK/DGf: 04gab/vie;
|
|
#References = LogK/DGf: 04gab/vie; V°: Default value;
|
|
|
|
Bieberite
|
|
CoSO4:7H2O = 1.000Co+2 + 1.000SO4-2 + 7.000H2O
|
|
log_k -2.354
|
|
delta_h 11.840 #kJ/mol #74nau/ryz
|
|
-analytic -1.5170859E+3 -2.3266408E-1 8.2917437E+4 5.5012875E+2 -4.9125493E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 94pan;
|
|
|
|
Bilinite
|
|
Fe3(SO4)4:22H2O = 2.000Fe+3 + 4.000SO4-2 + 1.000Fe+2 + 22.000H2O
|
|
log_k -16.373
|
|
delta_h 205.143 #kJ/mol #02hem/sea
|
|
-analytic -6.6744363E+3 -9.6599887E-1 3.6113505E+5 2.4093244E+3 -2.0169302E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 69bol/ptu;
|
|
|
|
Bischofite
|
|
MgCl2:6H2O = 2.000Cl- + 1.000Mg+2 + 6.000H2O
|
|
log_k 4.458
|
|
delta_h -8.710 #kJ/mol #74nau/ryz
|
|
-analytic -1.4873588E+3 -2.2708702E-1 8.1366041E+4 5.4098252E+2 -4.6230067E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; Cp: 74nau/ryz; V°: 63wyc;
|
|
|
|
Bloedite
|
|
Na2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000Na+ + 2.000SO4-2 + 4.000H2O
|
|
log_k -2.351
|
|
#References = LogK/DGf: 84har/mol;
|
|
#References = LogK/DGf: 84har/mol; V°: 63wyc;
|
|
|
|
Bobbierite
|
|
Mg3(PO4)2:8H2O + 4.000H+ = 3.000Mg+2 + 2.000H2PO4- + 8.000H2O
|
|
log_k 13.917
|
|
#References = LogK/DGf: 63tay/fra, 96bou;
|
|
#References = LogK/DGf: 63tay/fra, 96bou; V°: 84nri;
|
|
|
|
Boehmite
|
|
AlO(OH) + 3.000H+ = 1.000Al+3 + 2.000H2O
|
|
log_k 7.623
|
|
delta_h -113.660 #kJ/mol #95rob/hem
|
|
-analytic -4.3396543E+2 -7.2229552E-2 2.7350449E+4 1.5532539E+2 -1.1514377E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Bornite(alpha)
|
|
Cu5FeS4 + 4.000H+ = 4.000Cu+ + 1.000Cu+2 + 1.000Fe+2 + 4.000HS-
|
|
log_k -107.495
|
|
delta_h -3492.330 #kJ/mol #95rob/hem
|
|
-analytic -3.659479E+3 -5.7956821E-1 1.6798561E+5 1.3295933E+3 -1.1434908E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 78hel/del,70pan/kin; V°: 95rob/hem;
|
|
|
|
Bromellite
|
|
BeO + 2.000H+ = 1.000Be+2 + 1.000H2O
|
|
log_k 6.291
|
|
delta_h -59.205 #kJ/mol #89cox/wag
|
|
-analytic -3.2291539E+2 -5.0116258E-2 1.9507644E+4 1.1655322E+2 -8.6081375E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Brucite
|
|
Mg(OH)2 + 2.000H+ = 1.000Mg+2 + 2.000H2O
|
|
log_k 17.109
|
|
delta_h -114.518 #kJ/mol #08bla
|
|
-analytic -3.1427691E+2 -4.6777014E-2 2.206956E+4 1.1341328E+2 -8.2871799E+5
|
|
#References = LogK/DGf: 08bla; DHf/DHr: 08bla; S°: Internal calculation; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Brushite
|
|
CaHPO4:2H2O + 1.000H+ = 1.000Ca+2 + 1.000H2PO4- + 2.000H2O
|
|
log_k 0.599
|
|
delta_h -7.375 #kJ/mol #Internal calculation
|
|
-analytic -8.5811366E+2 -1.4463428E-1 4.5245431E+4 3.1462289E+2 -2.5274181E+6
|
|
#References = LogK/DGf: 84nan; DHf/DHr: Internal calculation; S°: 84nan; Cp: 70gre/mor, after 64aega/wak and bega/wak; V°: 84nri;
|
|
|
|
Bunsenite
|
|
NiO + 2.000H+ = 1.000Ni+2 + 1.000H2O
|
|
log_k 12.504
|
|
delta_h -106.030 #kJ/mol #90hem
|
|
-analytic -3.2351855E+2 -5.0846585E-2 2.2284798E+4 1.1595365E+2 -9.317096E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 90hem; S°: 90hem; Cp: 95rob/hem; V°: 78hel/del;
|
|
|
|
Burkeite
|
|
Na6CO3(SO4)2 + 1.000H+ = 1.000HCO3- + 6.000Na+ + 2.000SO4-2
|
|
log_k -0.770
|
|
#References = LogK/DGf: 84har/mol;
|
|
#References = LogK/DGf: 84har/mol; V°: 63wyc;
|
|
|
|
C(element)
|
|
C + 1.000O2 + 1.000H2O = 1.000HCO3- + 1.000H+
|
|
log_k 64.165
|
|
delta_h -391.966 #kJ/mol #By convention
|
|
-analytic -7.6325021E+2 -1.2547556E-1 6.408155E+4 2.7556713E+2 -2.8426018E+6
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
C2AH8
|
|
Ca2Al2O5:8H2O + 10.000H+ = 2.000Al+3 + 2.000Ca+2 + 13.000H2O
|
|
log_k 59.706
|
|
delta_h -436.130 #kJ/mol #06bla/las
|
|
-analytic -1.3381438E+3 -1.8057991E-1 8.8514659E+4 4.800024E+2 -2.9267857E+6
|
|
#References = LogK/DGf: 06bla/las; DHf/DHr: 06bla/las; S°: Internal calculation; V°: 92wol;
|
|
|
|
C2SHa
|
|
Ca2(HSiO4)(OH) + 4.000H+ = 2.000Ca+2 + 1.000H4SiO4 + 1.000H2O
|
|
log_k 35.538
|
|
delta_h -198.104 #kJ/mol #10abla/bou
|
|
-analytic -5.4007688E+2 -8.5574374E-2 3.6690287E+4 1.9876611E+2 -1.2235594E+6
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 10abla/bou;
|
|
|
|
C3AH6
|
|
Ca3Al2(OH)12 + 12.000H+ = 2.000Al+3 + 3.000Ca+2 + 12.000H2O
|
|
log_k 80.316
|
|
delta_h -584.260 #kJ/mol #99sch/nav
|
|
-analytic -1.518827E+3 -2.4785722E-1 1.0537657E+5 5.5063889E+2 -3.8146768E+6
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: 99sch/nav; S°: Internal calculation; Cp: 79ede/sat; V°: 92wol;
|
|
|
|
C3FH6
|
|
Ca3Fe2(OH)12 + 12.000H+ = 3.000Ca+2 + 2.000Fe+3 + 12.000H2O
|
|
log_k 72.366
|
|
delta_h -311.607 #kJ/mol #85bab/mat
|
|
-analytic -1.5057927E+3 -2.4127496E-1 1.009448E+5 5.4694503E+2 -3.7206553E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 85bab/mat; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 97tay;
|
|
|
|
C4AH13
|
|
Ca4Al2O7:13H2O + 14.000H+ = 2.000Al+3 + 4.000Ca+2 + 20.000H2O
|
|
log_k 103.644
|
|
delta_h -647.400 #kJ/mol #76hou/ste
|
|
-analytic -1.547187E+3 -2.3711762E-1 1.1098856E+5 5.6250523E+2 -3.7879875E+6
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: 76hou/ste; S°: Internal calculation; Cp: 10bbla/bou; V°: 92wol;
|
|
|
|
C4FH13
|
|
Ca4Fe2O7:13H2O + 14.000H+ = 4.000Ca+2 + 2.000Fe+3 + 20.000H2O
|
|
log_k 95.115
|
|
delta_h -371.442 #kJ/mol #85bab/mat
|
|
-analytic -1.6380053E+3 -2.5734869E-1 1.0933342E+5 6.0001352E+2 -3.6936298E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 85bab/mat; S°: 10bbla/bou; Cp: 85bab/mat; V°: 97tay;
|
|
|
|
Ca(element)
|
|
Ca + 0.500O2 + 2.000H+ = 1.000Ca+2 + 1.000H2O
|
|
log_k 139.842
|
|
delta_h -822.763 #kJ/mol #89cox/wag
|
|
-analytic -3.4331328E+2 -5.4813886E-2 6.1858785E+4 1.2329396E+2 -1.1609874E+6
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Ca3(AsO4)2:3.66H2O
|
|
Ca3(AsO4)2:3.66H2O + 4.000H+ = 2.000H2AsO4- + 3.000Ca+2 + 3.660H2O
|
|
log_k 16.769
|
|
#References = LogK/DGf: 99bot/bro;
|
|
#References = LogK/DGf: 99bot/bro; V°: Default value;
|
|
|
|
Ca4(OH)2(AsO4)2:4H2O
|
|
Ca4(OH)2(AsO4)2:4H2O + 6.000H+ = 2.000H2AsO4- + 4.000Ca+2 + 6.000H2O
|
|
log_k 37.088
|
|
#References = LogK/DGf: 99bot/bro;
|
|
#References = LogK/DGf: 99bot/bro; V°: Default value;
|
|
|
|
Ca4H(PO4)3:2.5H2O
|
|
Ca4H(PO4)3:2.5H2O + 5.000H+ = 4.000Ca+2 + 3.000H2PO4- + 2.500H2O
|
|
log_k 11.809
|
|
#References = LogK/DGf: 84nan;
|
|
#References = LogK/DGf: 84nan; V°: Default value;
|
|
|
|
Ca4H(PO4)3:3H2O
|
|
Ca4H(PO4)3:3H2O + 5.000H+ = 4.000Ca+2 + 3.000H2PO4- + 3.000H2O
|
|
log_k 10.114
|
|
#References = LogK/DGf: NIST46.4;
|
|
#References = LogK/DGf: NIST46.4; V°: Default value;
|
|
|
|
Ca5(AsO4)3OH
|
|
Ca5(AsO4)3OH + 7.000H+ = 3.000H2AsO4- + 5.000Ca+2 + 1.000H2O
|
|
log_k 31.610
|
|
#References = LogK/DGf: 99bot/bro;
|
|
#References = LogK/DGf: 99bot/bro; V°: Default value;
|
|
|
|
CaAlH(PO4)2:6H2O
|
|
CaAlH(PO4)2:6H2O + 3.000H+ = 1.000Al+3 + 1.000Ca+2 + 2.000H2PO4- + 6.000H2O
|
|
log_k -14.312
|
|
#References = LogK/DGf: 64atay/gur;
|
|
#References = LogK/DGf: 64atay/gur; V°: Default value;
|
|
|
|
CaCl2:2H2O
|
|
CaCl2:2H2O = 1.000Ca+2 + 2.000Cl- + 2.000H2O
|
|
log_k 7.949
|
|
delta_h -44.790 #kJ/mol #87gar/par
|
|
-analytic -1.513717E+3 -2.3596477E-1 8.4379603E+4 5.5049295E+2 -4.724728E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; V°: 63wyc;
|
|
|
|
CaCl2:4H2O
|
|
CaCl2:4H2O = 1.000Ca+2 + 2.000Cl- + 4.000H2O
|
|
log_k 5.353
|
|
delta_h -11.310 #kJ/mol #87gar/par
|
|
-analytic -1.5164797E+3 -2.2891709E-1 8.2477243E+4 5.5165864E+2 -4.585891E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; V°: 03dea;
|
|
|
|
CaCl2:H2O
|
|
CaCl2:H2O = 1.000Ca+2 + 2.000Cl- + 1.000H2O
|
|
log_k 7.848
|
|
delta_h -52.160 #kJ/mol #87gar/par
|
|
-analytic -1.5340511E+3 -2.4305421E-1 8.5978677E+4 5.5795149E+2 -4.8556422E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; V°: 03dea;
|
|
|
|
CaCrO4(s)
|
|
CaCrO4 = 1.000Ca+2 + 1.000CrO4-2
|
|
log_k -3.150
|
|
delta_h -22.807 #kJ/mol #Internal calculation
|
|
-analytic -1.6003913E+3 -2.5327361E-1 8.8679697E+4 5.7948673E+2 -5.2074222E+6
|
|
#References = LogK/DGf: 04wan/li; DHf/DHr: Internal calculation; S°: 03dea; V°: 90rob/cam;
|
|
|
|
CaHAsO3
|
|
CaHAsO3 + 1.000H+ = 1.000H2AsO3- + 1.000Ca+2
|
|
log_k 34.250
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: Default value;
|
|
|
|
CaHAsO4:H2O
|
|
CaHAsO4:H2O + 1.000H+ = 1.000H2AsO4- + 1.000Ca+2 + 1.000H2O
|
|
log_k 2.020
|
|
#References = LogK/DGf: 99bot/bro;
|
|
#References = LogK/DGf: 99bot/bro; V°: Default value;
|
|
|
|
Calcite
|
|
CaCO3 + 1.000H+ = 1.000HCO3- + 1.000Ca+2
|
|
log_k 1.847
|
|
delta_h -25.325 #kJ/mol #Internal calculation
|
|
-analytic -8.5010157E+2 -1.3947146E-1 4.6881027E+4 3.0964897E+2 -2.6591521E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 82plu/bus; Cp: 95rob/hem; V°: 78hel/del,82plu/bus;
|
|
|
|
Calomel
|
|
Hg2Cl2 = 2.000Cl- + 1.000Hg2+2
|
|
log_k -17.844
|
|
delta_h -8.133 #kJ/mol #89cox/wag
|
|
-analytic -1.4752372E+3 -2.4016758E-1 7.5072302E+4 5.3775896E+2 -4.7508354E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 85cha/dav; V°: 95rob/hem;
|
|
|
|
Carbonate(K)
|
|
K2CO3:1.5H2O + 1.000H+ = 1.000HCO3- + 2.000K+ + 1.500H2O
|
|
log_k 13.357
|
|
delta_h -15.889 #kJ/mol #Internal calculation
|
|
-analytic -8.1150653E+2 -1.1714552E-1 4.5311586E+4 2.9716423E+2 -2.4445099E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value;
|
|
|
|
Carnallite
|
|
KMgCl3:6H2O = 3.000Cl- + 1.000K+ + 1.000Mg+2 + 6.000H2O
|
|
log_k 4.328
|
|
delta_h 9.340 #kJ/mol #74nau/ryz
|
|
-analytic -2.2749456E+3 -3.3777677E-1 1.2302546E+5 8.2655741E+2 -6.9256834E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; V°: 63wyc;
|
|
|
|
Cassiterite
|
|
SnO2 + 2.000H+ = 1.000Sn+2 + 0.500O2 + 1.000H2O
|
|
log_k -45.458
|
|
delta_h 276.957 #kJ/mol #89cox/wag
|
|
-analytic -1.7331081E+2 -2.6966618E-2 -6.0764942E+3 6.4780312E+1 -3.5741422E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Cattierite
|
|
CoS2 + 0.750H2O = 1.000Co+2 + 1.500HS- + 0.250S2O3-2
|
|
log_k -27.182
|
|
delta_h -1397.082 #kJ/mol #95rob/hem
|
|
-analytic -1.6114899E+3 -2.6089444E-1 8.1620674E+4 5.84998E+2 -5.26276E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 87pan/mah; V°: 95rob/hem;
|
|
|
|
Cd(element)
|
|
Cd + 0.500O2 + 2.000H+ = 1.000Cd+2 + 1.000H2O
|
|
log_k 56.613
|
|
delta_h -355.683 #kJ/mol #By convention
|
|
-analytic -3.7605104E+2 -5.7701274E-2 3.9271634E+4 1.3428955E+2 -1.2570585E+6
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Cd(OH)2
|
|
Cd(OH)2 + 2.000H+ = 1.000Cd+2 + 2.000H2O
|
|
log_k 13.859
|
|
delta_h -87.730 #kJ/mol #Internal calculation
|
|
-analytic -2.6341404E+2 -3.928067E-2 1.798239E+4 9.5479833E+1 -6.7442691E+5
|
|
#References = LogK/DGf: 91rai/fel; DHf/DHr: Internal calculation; S°: 82wag/eva; Cp: 99yun/glu; V°: 01mer/vie;
|
|
|
|
Cd3(PO4)2
|
|
Cd3(PO4)2 + 4.000H+ = 3.000Cd+2 + 2.000H2PO4-
|
|
log_k 8.970
|
|
delta_h -206.960 #kJ/mol #01ben/jem
|
|
-analytic -2.2188303E+3 -3.4072698E-1 1.2852167E+5 7.9746224E+2 -6.662007E+6
|
|
#References = LogK/DGf: 82wag/eva; DHf/DHr: 01ben/jem; S°: Internal calculation; V°: Default value;
|
|
|
|
Cd5(PO4)3Cl
|
|
Cd5(PO4)3Cl + 6.000H+ = 5.000Cd+2 + 1.000Cl- + 3.000H2PO4-
|
|
log_k 12.673
|
|
#References = LogK/DGf: 84vie/tar;
|
|
#References = LogK/DGf: 84vie/tar; V°: Default value;
|
|
|
|
Cd5(PO4)3OH
|
|
Cd5(PO4)3OH + 7.000H+ = 5.000Cd+2 + 3.000H2PO4- + 1.000H2O
|
|
log_k 19.842
|
|
#References = LogK/DGf: 84vie/tar;
|
|
#References = LogK/DGf: 84vie/tar; V°: Default value;
|
|
|
|
CdCl2
|
|
CdCl2 = 1.000Cd+2 + 2.000Cl-
|
|
log_k -0.656
|
|
delta_h -18.580 #kJ/mol #82wag/eva
|
|
-analytic -1.5398355E+3 -2.5000543E-1 8.4903441E+4 5.5986018E+2 -5.0123509E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 84pan;
|
|
|
|
CdCl2:2.5H2O
|
|
CdCl2:2.5H2O = 1.000Cd+2 + 2.000Cl- + 2.500H2O
|
|
log_k -1.900
|
|
delta_h 7.285 #kJ/mol #82wag/eva
|
|
-analytic -1.5455863E+3 -2.3680873E-1 8.3342855E+4 5.6115591E+2 -4.7812346E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; V°: 01mer/vie;
|
|
|
|
CdCl2:H2O
|
|
CdCl2:H2O = 1.000Cd+2 + 2.000Cl- + 1.000H2O
|
|
log_k -1.692
|
|
delta_h -7.470 #kJ/mol #82wag/eva
|
|
-analytic -1.5542041E+3 -2.4384252E-1 8.4786317E+4 5.6422392E+2 -4.9155105E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; V°: 01mer/vie;
|
|
|
|
CdSiO3
|
|
CdSiO3 + 2.000H+ + 1.000H2O = 1.000Cd+2 + 1.000H4SiO4
|
|
log_k 7.789
|
|
delta_h -62.194 #kJ/mol #77bar/kna
|
|
-analytic -3.8663006E+2 -6.2897758E-2 2.204666E+4 1.4122595E+2 -9.0909826E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 77bar/kna; S°: 77bar/kna; Cp: 77bar/kna; V°: Default value;
|
|
|
|
CdSO4
|
|
CdSO4 = 1.000Cd+2 + 1.000SO4-2
|
|
log_k -0.157
|
|
delta_h -51.980 #kJ/mol #82wag/eva
|
|
-analytic -1.6519358E+3 -2.6396523E-1 9.3414686E+4 5.9762838E+2 -5.4781853E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 74nau/ryz; V°: 94pan;
|
|
|
|
CdSO4:8/3H2O
|
|
CdSO4:2.67H2O = 1.000Cd+2 + 1.000SO4-2 + 2.670H2O
|
|
log_k -1.726
|
|
delta_h -19.126 #kJ/mol #89cox/wag
|
|
-analytic -1.615595E+3 -2.5938745E-1 8.8741909E+4 5.8676356E+2 -5.1864875E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 82dek; V°: 95rob/hem;
|
|
|
|
Celadonite
|
|
K(MgAl)Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.000Al+3 + 1.000K+ + 1.000Mg+2 + 4.000H4SiO4
|
|
log_k 10.202
|
|
delta_h -124.261 #kJ/mol #02par/vid
|
|
-analytic -1.1286899E+3 -1.926429E-1 5.9153366E+4 4.1424004E+2 -2.4075349E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02par/vid; S°: 02par/vid; Cp: 98hol/pow; V°: 02par/vid;
|
|
|
|
Celadonite(Fe)
|
|
KFeAlSi4O10(OH)2 + 6.000H+ + 4.000H2O = 1.000Al+3 + 1.000Fe+2 + 1.000K+ + 4.000H4SiO4
|
|
log_k 6.432
|
|
delta_h -103.862 #kJ/mol #02par/vid
|
|
-analytic -1.100626E+3 -1.8968446E-1 5.65505E+4 4.0420595E+2 -2.3325867E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02par/vid; S°: 02par/vid; Cp: 98hol/pow; V°: 02par/vid;
|
|
|
|
Celestite
|
|
SrSO4 = 1.000SO4-2 + 1.000Sr+2
|
|
log_k -6.620
|
|
delta_h -2.451 #kJ/mol #Internal calculation
|
|
-analytic -1.6382672E+3 -2.613432E-1 9.0848416E+4 5.9292511E+2 -5.5376131E+6
|
|
#References = LogK/DGf: 06bla/ign; DHf/DHr: Internal calculation; S°: 06bla/ign; Cp: 06bla/ign; V°: 78hel/del;
|
|
|
|
Cerussite
|
|
PbCO3 + 1.000H+ = 1.000HCO3- + 1.000Pb+2
|
|
log_k -2.963
|
|
delta_h 12.709 #kJ/mol #Internal calculation
|
|
-analytic -8.8003794E+2 -1.4186343E-1 4.7401255E+4 3.2029804E+2 -2.8596729E+6
|
|
#References = LogK/DGf: 84tay/lop; DHf/DHr: Internal calculation; S°: 60kel; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Chabazite
|
|
Ca(Al2Si4)O12:6H2O + 8.000H+ = 2.000Al+3 + 1.000Ca+2 + 4.000H4SiO4 + 2.000H2O
|
|
log_k 11.517
|
|
delta_h -209.797 #kJ/mol #08bla
|
|
-analytic -1.2464746E+3 -2.1259542E-1 6.8500775E+4 4.531977E+2 -2.647602E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 08bla; S°: 09bla; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Chalcedony
|
|
SiO2 + 2.000H2O = 1.000H4SiO4
|
|
log_k -3.453
|
|
delta_h 19.574 #kJ/mol #78hel/del
|
|
-analytic -7.3377874E+1 -1.5148816E-2 1.4875718E+3 2.8206423E+1 -3.0469035E+4
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Chalcocite(alpha)
|
|
Cu2S + 1.000H+ = 2.000Cu+ + 1.000HS-
|
|
log_k -34.020
|
|
delta_h -955.598 #kJ/mol #Internal calculation
|
|
-analytic -8.6799862E+2 -1.3644873E-1 3.6090929E+4 3.1664721E+2 -2.6589476E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 78hel/del; V°: 84pan/stu;
|
|
|
|
Chalcocyanite
|
|
CuSO4 = 1.000Cu+2 + 1.000SO4-2
|
|
log_k 2.940
|
|
delta_h -72.762 #kJ/mol #89cox/wag
|
|
-analytic -1.6722243E+3 -2.6806561E-1 9.5237171E+4 6.0518642E+2 -5.496615E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Chalcopyrite(alpha)
|
|
CuFeS2 + 2.000H+ = 1.000Cu+2 + 1.000Fe+2 + 2.000HS-
|
|
log_k -33.986
|
|
delta_h -1600.068 #kJ/mol #95rob/hem
|
|
-analytic -1.9243258E+3 -3.0811621E-1 9.6811708E+4 6.9764039E+2 -6.1131044E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 78hel/del,70pan/kin; V°: 95rob/hem;
|
|
|
|
Chamosite(Daphnite)
|
|
Fe5Al(AlSi3)O10(OH)8 + 16.000H+ = 2.000Al+3 + 5.000Fe+2 + 3.000H4SiO4 + 6.000H2O
|
|
log_k 47.579
|
|
delta_h -504.518 #kJ/mol #01vid/par
|
|
-analytic -2.6210061E+3 -4.2497094E-1 1.5576281E+5 9.4858884E+2 -6.610337E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 01vid/par; S°: 01vid/par; Cp: 05vid/par; V°: 05vid/par;
|
|
|
|
Chlorapatite(Pp)
|
|
Ca5(PO4)3Cl + 6.000H+ = 5.000Ca+2 + 1.000Cl- + 3.000H2PO4-
|
|
log_k 14.533
|
|
#References = LogK/DGf: 84vie/tar,after 72bduf;
|
|
#References = LogK/DGf: 84vie/tar,after 72bduf; Cp: 68val/kog; V°: 74nau/ryz;
|
|
|
|
Chlorapatite(Synth)
|
|
Ca5(PO4)3Cl + 6.000H+ = 5.000Ca+2 + 1.000Cl- + 3.000H2PO4-
|
|
log_k 5.210
|
|
delta_h -132.541 #kJ/mol #Internal calculation
|
|
-analytic -3.7341248E+3 -6.1240037E-1 2.0792436E+5 1.3570982E+3 -1.1868242E+7
|
|
#References = LogK/DGf: 68val/kog; DHf/DHr: Internal calculation; S°: 71par/wag; Cp: 68val/kog; V°: 74nau/ryz;
|
|
|
|
Chlorargyrite
|
|
AgCl = 1.000Ag+ + 1.000Cl-
|
|
log_k -9.749
|
|
delta_h 65.704 #kJ/mol #89cox/wag
|
|
-analytic -7.3805491E+2 -1.1588653E-1 3.759537E+4 2.6854718E+2 -2.4659102E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 78rob/hem,70pan; V°: 95rob/hem;
|
|
|
|
Chlorite(Cca-2)
|
|
(Mg2.964Fe1.927Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 + 17.468H+ = 2.483Al+3 + 0.011Ca+2 + 1.712Fe+2 + 2.964Mg+2 + 2.633H4SiO4 + 0.215Fe+3 + 7.468H2O
|
|
log_k 61.315
|
|
delta_h -612.127 #kJ/mol #14bla/gai
|
|
-analytic -2.9118253E+3 -4.6718919E-1 1.7751461E+5 1.0510111E+3 -7.432582E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 14bla/gai; S°: 14bla/gai; Cp: 09gai/rog; V°: 14bla/gai;
|
|
|
|
Chloritoid
|
|
FeAl2SiO5(OH)2 + 8.000H+ = 2.000Al+3 + 1.000Fe+2 + 1.000H4SiO4 + 3.000H2O
|
|
log_k 21.777
|
|
delta_h -292.184 #kJ/mol #87woo/gar
|
|
-analytic -1.213842E+3 -2.031818E-1 7.455402E+4 4.3686995E+2 -3.0991352E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 87woo/gar; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Chloromagnesite
|
|
MgCl2 = 2.000Cl- + 1.000Mg+2
|
|
log_k 22.025
|
|
delta_h -159.540 #kJ/mol #98cha
|
|
-analytic -1.5873891E+3 -2.5606716E-1 9.4920821E+4 5.7613443E+2 -5.1746834E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Chromite
|
|
FeCr2O4 + 8.000H+ = 2.000Cr+3 + 1.000Fe+2 + 4.000H2O
|
|
log_k 15.121
|
|
delta_h -98.470 #kJ/mol #95rob/hem
|
|
-analytic -1.188199E+3 -1.9125998E-1 7.34955E+4 4.2430775E+2 -3.2075483E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Chrysotile
|
|
Mg3Si2O5(OH)4 + 6.000H+ = 3.000Mg+2 + 2.000H4SiO4 + 1.000H2O
|
|
log_k 33.170
|
|
delta_h -249.218 #kJ/mol #04eva
|
|
-analytic -1.1167594E+3 -1.7467297E-1 6.800348E+4 4.0577219E+2 -2.6786499E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04eva; S°: 04eva; Cp: 95rob/hem; V°: 78hel/del;
|
|
|
|
Cinnabar(alpha)
|
|
HgS + 1.000H+ = 1.000HS- + 1.000Hg+2
|
|
log_k -39.006
|
|
delta_h -661.517 #kJ/mol #78hel/del
|
|
-analytic -9.1509124E+2 -1.4584128E-1 3.8659923E+4 3.323669E+2 -2.8906437E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 87pan/mah; V°: 78hel/del;
|
|
|
|
Cinnabar(beta)
|
|
HgS + 1.000H+ = 1.000HS- + 1.000Hg+2
|
|
log_k -38.620
|
|
#delta_h 0.000 #kJ/mol
|
|
-analytic -9.1312982E+2 -1.4554513E-1 3.8723371E+4 3.3155065E+2 -2.8779555E+6
|
|
#References = LogK/DGf: Internal calculation; Cp: 87pan/mah; V°: Default value;
|
|
|
|
Claudetite
|
|
As2O3 + 3.000H2O = 2.000H2AsO3- + 2.000H+
|
|
log_k -19.926
|
|
delta_h -294.176 #kJ/mol #Internal calculation
|
|
-analytic -5.5963281E+2 -1.0154829E-1 2.0924644E+4 2.0741682E+2 -1.1945366E+6
|
|
#References = LogK/DGf: 96pok/gou; DHf/DHr: Internal calculation; S°: 96pok/gou; Cp: 96pok/gou; V°: 96pok/gou;
|
|
|
|
Clinochlore
|
|
Mg5Al(AlSi3)O10(OH)8 + 16.000H+ = 2.000Al+3 + 5.000Mg+2 + 3.000H4SiO4 + 6.000H2O
|
|
log_k 61.682
|
|
delta_h -600.773 #kJ/mol #05vid/par
|
|
-analytic -2.7499165E+3 -4.3731761E-1 1.6729236E+5 9.9346322E+2 -6.8782833E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05vid/par; S°: 05vid/par; Cp: 05vid/par; V°: 05vid/par;
|
|
|
|
Clinoclase
|
|
Cu3AsO4(OH)3 + 5.000H+ = 1.000H2AsO4- + 3.000Cu+2 + 3.000H2O
|
|
log_k 10.099
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
Clinoptilolite(Ca)
|
|
Ca0.55(Si4.9Al1.1)O12:3.9H2O + 4.400H+ + 3.700H2O = 1.100Al+3 + 0.550Ca+2 + 4.900H4SiO4
|
|
log_k -2.107
|
|
delta_h -69.841 #kJ/mol #09bla
|
|
-analytic -8.8892191E+2 -1.5134613E-1 4.3221828E+4 3.2542243E+2 -1.6236035E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Clinoptilolite(K)
|
|
K1.1(Si4.9Al1.1)O12:2.7H2O + 4.400H+ + 4.900H2O = 1.100Al+3 + 1.100K+ + 4.900H4SiO4
|
|
log_k -1.162
|
|
delta_h -60.469 #kJ/mol #09bla
|
|
-analytic -8.5037461E+2 -1.4523594E-1 4.1442259E+4 3.1185182E+2 -1.6125516E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Clinoptilolite(Na)
|
|
Na1.1(Si4.9Al1.1)O12:3.5H2O + 4.400H+ + 4.100H2O = 1.100Al+3 + 1.100Na+ + 4.900H4SiO4
|
|
log_k -0.134
|
|
delta_h -62.203 #kJ/mol #09bla
|
|
-analytic -9.0182875E+2 -1.4840199E-1 4.4213705E+4 3.3009383E+2 -1.7021357E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Clinozoisite
|
|
Ca2Al3Si3O12(OH) + 13.000H+ = 3.000Al+3 + 2.000Ca+2 + 3.000H4SiO4 + 1.000H2O
|
|
log_k 41.886
|
|
delta_h -480.273 #kJ/mol #04got
|
|
-analytic -2.0148592E+3 -3.4374508E-1 1.220382E+5 7.2958916E+2 -4.9251982E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04got; S°: 04got; Cp: 04got; V°: 04got;
|
|
|
|
Co(element)
|
|
Co + 0.500O2 + 2.000H+ = 1.000Co+2 + 1.000H2O
|
|
log_k 52.732
|
|
delta_h -337.363 #kJ/mol #By convention
|
|
-analytic -4.0115316E+2 -6.2717054E-2 3.9584488E+4 1.4340947E+2 -1.3369355E+6
|
|
#References = S°: 87fer, 91din; Cp: 87fer, 91din; V°: 87fer;
|
|
|
|
Co(FeO2)2(alpha)
|
|
Co(FeO2)2 + 8.000H+ = 1.000Co+2 + 2.000Fe+3 + 4.000H2O
|
|
log_k 0.769
|
|
delta_h 38.563 #kJ/mol #74nau/ryz
|
|
-analytic -1.172307E+3 -1.8959065E-1 6.6969756E+4 4.2042598E+2 -3.1407431E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 94pan;
|
|
|
|
Co(OH)2(blue)
|
|
Co(OH)2 + 2.000H+ = 1.000Co+2 + 2.000H2O
|
|
log_k 13.798
|
|
#References = LogK/DGf: 98ply/zha;
|
|
#References = LogK/DGf: 98ply/zha; V°: 01mer/vie;
|
|
|
|
Co(OH)2(pink-pc)
|
|
Co(OH)2 + 2.000H+ = 1.000Co+2 + 2.000H2O
|
|
log_k 13.203
|
|
delta_h -93.560 #kJ/mol #98ply/zha
|
|
-analytic -3.2548549E+2 -4.3882938E-2 2.1554613E+4 1.1664714E+2 -8.1411583E+5
|
|
#References = LogK/DGf: 98ply/zha; DHf/DHr: 98ply/zha; S°: Internal calculation; V°: 01mer/vie;
|
|
|
|
Co(OH)2(pink-wc)
|
|
Co(OH)2 + 2.000H+ = 1.000Co+2 + 2.000H2O
|
|
log_k 12.204
|
|
delta_h -88.460 #kJ/mol #98ply/zha
|
|
-analytic -3.2559061E+2 -4.3882938E-2 2.1288222E+4 1.1664714E+2 -8.1411583E+5
|
|
#References = LogK/DGf: 98ply/zha; DHf/DHr: 98ply/zha; S°: Internal calculation; V°: 01mer/vie;
|
|
|
|
Co2SiO4
|
|
Co2SiO4 + 4.000H+ = 2.000Co+2 + 1.000H4SiO4
|
|
log_k 7.353
|
|
delta_h -99.394 #kJ/mol #82wag/eva
|
|
-analytic -6.9992699E+2 -1.1052198E-1 4.0453716E+4 2.5269536E+2 -1.8426353E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 61kel/kin; V°: 82pan;
|
|
|
|
Co3(PO4)2
|
|
Co3(PO4)2 + 4.000H+ = 3.000Co+2 + 2.000H2PO4-
|
|
log_k 4.360
|
|
#References = LogK/DGf: 84vie/tar;
|
|
#References = LogK/DGf: 84vie/tar; V°: Default value;
|
|
|
|
CoCl2
|
|
CoCl2 = 2.000Cl- + 1.000Co+2
|
|
log_k 8.474
|
|
delta_h -79.220 #kJ/mol #98cha
|
|
-analytic -1.5576924E+3 -2.5385132E-1 8.8980097E+4 5.6601272E+2 -5.0802554E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 84pan;
|
|
|
|
CoCl2:6H2O
|
|
CoCl2:6H2O = 2.000Cl- + 1.000Co+2 + 6.000H2O
|
|
log_k -2.542
|
|
delta_h 8.060 #kJ/mol #97smi/mar
|
|
-analytic -1.5511741E+3 -2.2451571E-1 8.2789246E+4 5.6132179E+2 -4.5388176E+6
|
|
#References = LogK/DGf: 97smi/mar; DHf/DHr: 97smi/mar; S°: Internal calculation; V°: 94pan;
|
|
|
|
Coesite(alpha)
|
|
SiO2 + 2.000H2O = 1.000H4SiO4
|
|
log_k -2.913
|
|
delta_h 16.779 #kJ/mol #78hel/del
|
|
-analytic -7.4881786E+1 -1.5356336E-2 1.7099772E+3 2.8770707E+1 -3.3717148E+4
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
CoF2
|
|
CoF2 = 1.000Co+2 + 2.000F-
|
|
log_k -1.391
|
|
delta_h -56.770 #kJ/mol #98cha
|
|
-analytic -1.6903491E+3 -2.7132265E-1 9.4540309E+4 6.1180462E+2 -5.4320174E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 84pan;
|
|
|
|
CoHPO4
|
|
CoHPO4 + 1.000H+ = 1.000Co+2 + 1.000H2PO4-
|
|
log_k 0.490
|
|
#References = LogK/DGf: 84vie/tar;
|
|
#References = LogK/DGf: 84vie/tar; V°: Default value;
|
|
|
|
Conichalcite
|
|
CaCuAsO4(OH) + 3.000H+ = 1.000H2AsO4- + 1.000Ca+2 + 1.000Cu+2 + 1.000H2O
|
|
log_k 1.290
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
CoO
|
|
CoO + 2.000H+ = 1.000Co+2 + 1.000H2O
|
|
log_k 13.774
|
|
delta_h -105.530 #kJ/mol #95rob/hem
|
|
-analytic -3.0331783E+2 -4.7767985E-2 2.1056697E+4 1.0918952E+2 -8.4211862E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Cooperite
|
|
PtS + 1.000H+ = 1.000Pt+2 + 1.000HS-
|
|
log_k -60.932
|
|
delta_h -546.853 #kJ/mol #Internal calculation
|
|
-analytic -9.6573285E+2 -1.5547846E-1 3.5270369E+4 3.5048183E+2 -3.0565926E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
Copiapite
|
|
Fe5(SO4)6(OH)2:20H2O + 2.000H+ = 4.000Fe+3 + 6.000SO4-2 + 1.000Fe+2 + 22.000H2O
|
|
log_k -16.592
|
|
delta_h 189.226 #kJ/mol #02hem/sea
|
|
-analytic -1.0400833E+4 -1.5545629E+0 5.7432844E+5 3.7516742E+3 -3.2165823E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam;
|
|
|
|
Coquimbite
|
|
Fe2(SO4)3:9H2O = 2.000Fe+3 + 3.000SO4-2 + 9.000H2O
|
|
log_k -8.988
|
|
delta_h 87.473 #kJ/mol #02hem/sea
|
|
-analytic -5.0457378E+3 -7.601657E-1 2.7965171E+5 1.819718E+3 -1.5764089E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam;
|
|
|
|
Cordierite
|
|
Mg2Al3(AlSi5)O18 + 16.000H+ + 2.000H2O = 4.000Al+3 + 2.000Mg+2 + 5.000H4SiO4
|
|
log_k 49.408
|
|
delta_h -660.411 #kJ/mol #95rob/hem
|
|
-analytic -2.8575817E+3 -4.7701981E-1 1.7292169E+5 1.0300555E+3 -7.0735857E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Cordierite(hydrated)
|
|
Mg2Al3(AlSi5)O18:H2O + 16.000H+ + 1.000H2O = 4.000Al+3 + 2.000Mg+2 + 5.000H4SiO4
|
|
log_k 51.657
|
|
delta_h -669.993 #kJ/mol #78hel/del
|
|
-analytic -2.8158585E+3 -4.7070958E-1 1.7098236E+5 1.0152376E+3 -6.9122658E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Corkite
|
|
PbFe3(PO4)(OH)6SO4 + 8.000H+ = 3.000Fe+3 + 1.000H2PO4- + 1.000Pb+2 + 1.000SO4-2 + 6.000H2O
|
|
log_k -1.951
|
|
#References = LogK/DGf: 84nri;
|
|
#References = LogK/DGf: 84nri; V°: 63wyc;
|
|
|
|
Cornetite
|
|
Cu3PO4(OH)3 + 5.000H+ = 3.000Cu+2 + 1.000H2PO4- + 3.000H2O
|
|
log_k 15.015
|
|
#References = LogK/DGf: 84nri;
|
|
#References = LogK/DGf: 84nri; V°: 63wyc;
|
|
|
|
Corundum(alpha)
|
|
Al2O3 + 6.000H+ = 2.000Al+3 + 3.000H2O
|
|
log_k 18.297
|
|
delta_h -258.590 #kJ/mol #89cox/wag
|
|
-analytic -8.8185832E+2 -1.4783302E-1 5.7250215E+4 3.1491339E+2 -2.4018418E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Corundum(gamma)
|
|
Al2O3 + 6.000H+ = 2.000Al+3 + 3.000H2O
|
|
log_k 21.518
|
|
delta_h -277.390 #kJ/mol #89cox/wag
|
|
-analytic -8.8325049E+2 -1.4837185E-1 5.8287666E+4 3.1545881E+2 -2.4067195E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 78hel/del;
|
|
|
|
CoS(alpha)
|
|
CoS + 1.000H+ = 1.000Co+2 + 1.000HS-
|
|
log_k -7.441
|
|
delta_h -856.933 #kJ/mol #74nau/ryz
|
|
-analytic -9.8082433E+2 -1.5438094E-1 5.2331798E+4 3.5505821E+2 -3.082632E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; V°: 03dea;
|
|
|
|
CoS(beta)
|
|
CoS + 1.000H+ = 1.000Co+2 + 1.000HS-
|
|
log_k -11.070
|
|
#References = LogK/DGf: 61kel/kin;
|
|
#References = LogK/DGf: 61kel/kin; V°: 03dea;
|
|
|
|
CoSO4
|
|
CoSO4 = 1.000Co+2 + 1.000SO4-2
|
|
log_k 3.009
|
|
delta_h -78.680 #kJ/mol #98cha
|
|
-analytic -1.6651626E+3 -2.6798761E-1 9.5301217E+4 6.0234347E+2 -5.5139714E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 94pan;
|
|
|
|
Cotunnite
|
|
PbCl2 = 2.000Cl- + 1.000Pb+2
|
|
log_k -4.807
|
|
delta_h 26.160 #kJ/mol #98cha
|
|
-analytic -1.5285807E+3 -2.4847644E-1 8.279877E+4 5.5665154E+2 -5.0890703E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 84pan;
|
|
|
|
Covellite
|
|
CuS + 1.000H+ = 1.000Cu+2 + 1.000HS-
|
|
log_k -22.060
|
|
delta_h -771.914 #kJ/mol #Internal calculation
|
|
-analytic -9.6591009E+2 -1.5396767E-1 4.7082843E+4 3.5005416E+2 -3.0532461E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 84pan/stu; V°: 84pan/stu;
|
|
|
|
Cr(element)
|
|
Cr + 0.500O2 + 2.000H+ = 1.000Cr+2 + 1.000H2O
|
|
log_k 70.926
|
|
delta_h -574.970 #kJ/mol #By convention
|
|
-analytic -3.9811906E+2 -6.2085731E-2 4.4690912E+4 1.4249723E+2 -1.3279421E+6
|
|
#References = S°: 98cha; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Cr(OH)2(s)
|
|
Cr(OH)2 + 2.000H+ = 1.000Cr+2 + 2.000H2O
|
|
log_k 10.999
|
|
delta_h -212.952 #kJ/mol #Internal calculation
|
|
-analytic -3.3948282E+2 -4.6109787E-2 2.1399517E+4 1.2208472E+2 -8.5650556E+5
|
|
#References = LogK/DGf: 41hum/sto; DHf/DHr: Internal calculation; S°: 74nau/ryz; V°: Default value;
|
|
|
|
Cr(OH)3(s)
|
|
Cr(OH)3 + 3.000H+ = 1.000Cr+3 + 3.000H2O
|
|
log_k 9.349
|
|
delta_h -30.126 #kJ/mol #Internal calculation
|
|
-analytic -4.8037286E+2 -6.9149432E-2 2.9750107E+4 1.7114769E+2 -1.1500436E+6
|
|
#References = LogK/DGf: 87rai/sas; DHf/DHr: Internal calculation; S°: 74nau/ryz; V°: Default value;
|
|
|
|
Cr2(SO4)3(s)
|
|
Cr2(SO4)3 = 2.000Cr+3 + 3.000SO4-2
|
|
log_k 4.379
|
|
delta_h -107.370 #kJ/mol #91kna/kub
|
|
-analytic -4.983517E+3 -8.0844343E-1 2.8588851E+5 1.8002566E+3 -1.6406042E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 91kna/kub; S°: 91kna/kub; Cp: 91kna/kub; V°: 94pan;
|
|
|
|
Cr2S3(s)
|
|
Cr2S3 + 1.000H+ + 0.750H2O = 2.000Cr+2 + 2.500HS- + 0.250S2O3-2
|
|
log_k -16.703
|
|
delta_h -2631.168 #kJ/mol #84pan/stu
|
|
-analytic -2.569488E+3 -4.131322E-1 1.383505E+5 9.3181265E+2 -8.3363903E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 91kna/kub; V°: 87pan/mah;
|
|
|
|
Crandallite
|
|
CaAl3(PO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 1.000Ca+2 + 2.000H2PO4- + 6.000H2O
|
|
log_k 21.043
|
|
#References = LogK/DGf: 79vie/tar;
|
|
#References = LogK/DGf: 79vie/tar; V°: 63wyc;
|
|
|
|
CrCl2(s)
|
|
CrCl2 = 2.000Cl- + 1.000Cr+2
|
|
log_k 12.744
|
|
delta_h -241.066 #kJ/mol #98bal/nor
|
|
-analytic -1.5567655E+3 -2.530602E-1 9.0179283E+4 5.6558406E+2 -5.0672666E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98bal/nor; S°: 98bal/nor; Cp: 91kna/kub; V°: 84pan;
|
|
|
|
CrCl3(s)
|
|
CrCl3 + 0.500H2O = 2.500Cl- + 1.000Cr+2 + 0.500ClO- + 1.000H+
|
|
log_k -15.227
|
|
delta_h -112.165 #kJ/mol #98bal/nor
|
|
-analytic -2.1917886E+3 -3.5673616E-1 1.1696505E+5 7.9690933E+2 -7.2252838E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98bal/nor; S°: 98bal/nor; Cp: 91kna/kub; V°: 84pan;
|
|
|
|
Cristobalite(alpha)
|
|
SiO2 + 2.000H2O = 1.000H4SiO4
|
|
log_k -3.160
|
|
delta_h 16.496 #kJ/mol #04fab/sax
|
|
-analytic -7.6499595E+1 -1.5230412E-2 1.8688606E+3 2.9150764E+1 -4.6197887E+4
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04fab/sax; S°: 04fab/sax; Cp: 04fab/sax; V°: 04fab/sax;
|
|
|
|
Cristobalite(beta)
|
|
SiO2 + 2.000H2O = 1.000H4SiO4
|
|
log_k -3.099
|
|
#delta_h 0.000 #kJ/mol
|
|
-analytic -8.2954599E+1 -1.5481501E-2 2.6263322E+3 3.1150006E+1 -1.2588219E+5
|
|
#References = LogK/DGf: Internal calculation; Cp: 04fab/sax; V°: 04fab/sax;
|
|
|
|
CrO2(s)
|
|
CrO2 + 3.000H+ = 1.000Cr+3 + 0.250O2 + 1.500H2O
|
|
log_k 0.441
|
|
delta_h 10.797 #kJ/mol #04chi
|
|
-analytic -3.9544036E+2 -6.5853987E-2 2.3130555E+4 1.4119104E+2 -1.016237E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 93bar; V°: 92wol;
|
|
|
|
CrO3(s)
|
|
CrO3 + 1.000H2O = 1.000CrO4-2 + 2.000H+
|
|
log_k -3.017
|
|
delta_h -10.070 #kJ/mol #98bal/nor
|
|
-analytic -1.2885322E+3 -2.1285233E-1 7.1785289E+4 4.6789964E+2 -4.4072946E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98bal/nor; S°: 98bal/nor; Cp: 91kna/kub; V°: 92wol;
|
|
|
|
Crocoite
|
|
PbCrO4 = 1.000CrO4-2 + 1.000Pb+2
|
|
log_k -12.550
|
|
delta_h 48.940 #kJ/mol #76del/hep
|
|
-analytic -1.570868E+3 -2.5330672E-1 8.465467E+4 5.6987672E+2 -5.3526745E+6
|
|
#References = LogK/DGf: 42kol/per; DHf/DHr: 76del/hep; S°: Internal calculation; Cp: 74nau/ryz; V°: 00lyd;
|
|
|
|
Cronstedtite(Th)
|
|
Fe3SiAlO5(OH)4 + 10.000H+ = 1.000Al+3 + 2.000Fe+2 + 1.000H4SiO4 + 1.000Fe+3 + 5.000H2O
|
|
log_k 98.744
|
|
delta_h -644.313 #kJ/mol #15bla/vie
|
|
-analytic -1.6435076E+3 -2.5592947E-1 1.2183138E+5 5.8971886E+2 -4.3813826E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
CrPO4(green)
|
|
CrPO4 + 2.000H+ = 1.000Cr+3 + 1.000H2PO4-
|
|
log_k -5.326
|
|
#References = LogK/DGf: 51zha;
|
|
#References = LogK/DGf: 51zha; V°: Default value;
|
|
|
|
CrPO4(purple)
|
|
CrPO4 + 2.000H+ = 1.000Cr+3 + 1.000H2PO4-
|
|
log_k 0.298
|
|
#References = LogK/DGf: 51zha;
|
|
#References = LogK/DGf: 51zha; V°: Default value;
|
|
|
|
CrS(s)
|
|
CrS + 1.000H+ = 1.000Cr+2 + 1.000HS-
|
|
log_k 1.675
|
|
delta_h -1045.139 #kJ/mol #84pan/stu
|
|
-analytic -9.6518362E+2 -1.5487928E-1 5.4210689E+4 3.4989598E+2 -3.0741659E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 91kna/kub; V°: 87pan/mah;
|
|
|
|
Cu(element)
|
|
Cu + 0.500O2 + 2.000H+ = 1.000Cu+2 + 1.000H2O
|
|
log_k 31.600
|
|
delta_h -214.586 #kJ/mol #By convention
|
|
-analytic -4.0433895E+2 -6.2132696E-2 3.3258027E+4 1.4458197E+2 -1.3194359E+6
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Cu3(PO4)2
|
|
Cu3(PO4)2 + 4.000H+ = 3.000Cu+2 + 2.000H2PO4-
|
|
log_k 2.210
|
|
delta_h -154.596 #kJ/mol #Internal calculation
|
|
-analytic -2.2061898E+3 -3.5165819E-1 1.2563737E+5 7.9557351E+2 -6.821496E+6
|
|
#References = LogK/DGf: 84vie/tar; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: Default value;
|
|
|
|
Cu3(PO4)2:3H2O
|
|
Cu3(PO4)2:3H2O + 4.000H+ = 3.000Cu+2 + 2.000H2PO4- + 3.000H2O
|
|
log_k 3.979
|
|
delta_h -142.084 #kJ/mol #Internal calculation
|
|
-analytic -2.1761185E+3 -3.4230804E-1 1.2324311E+5 7.8540337E+2 -6.6343056E+6
|
|
#References = LogK/DGf: 84vie/tar; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: Default value;
|
|
|
|
Cummingtonite
|
|
Mg7Si8O22(OH)2 + 14.000H+ + 8.000H2O = 7.000Mg+2 + 8.000H4SiO4
|
|
log_k 76.119
|
|
delta_h -615.124 #kJ/mol #98hol/pow
|
|
-analytic -2.8856764E+3 -4.6647181E-1 1.71165E+5 1.0512319E+3 -6.615536E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Cuprite
|
|
Cu2O + 2.000H+ = 2.000Cu+ + 1.000H2O
|
|
log_k -1.472
|
|
delta_h -264.638 #kJ/mol #95rob/hem
|
|
-analytic -1.8162588E+2 -2.4802858E-2 7.4534047E+3 6.7250863E+1 -3.4290774E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 98cha; V°: 78hel/del;
|
|
|
|
Dawsonite
|
|
NaAlCO3(OH)2 + 3.000H+ = 1.000Al+3 + 1.000HCO3- + 1.000Na+ + 2.000H2O
|
|
log_k 4.324
|
|
delta_h -76.330 #kJ/mol #76fer/stu
|
|
-analytic -1.1738544E+3 -1.847184E-1 6.6671294E+4 4.2438366E+2 -3.5978925E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 76fer/stu; S°: 76fer/stu; Cp: 76fer/stu; V°: 95rob/hem;
|
|
|
|
Diaspore
|
|
AlO(OH) + 3.000H+ = 1.000Al+3 + 2.000H2O
|
|
log_k 6.864
|
|
delta_h -108.760 #kJ/mol #95rob/hem
|
|
-analytic -4.3752143E+2 -7.1234798E-2 2.7576638E+4 1.5621774E+2 -1.1929039E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del;
|
|
|
|
Dickite
|
|
Al2Si2O5(OH)4 + 6.000H+ = 2.000Al+3 + 2.000H4SiO4 + 1.000H2O
|
|
log_k 9.385
|
|
delta_h -185.218 #kJ/mol #06bla/pia
|
|
-analytic -9.8833761E+2 -1.6981612E-1 5.5980146E+4 3.5799436E+2 -2.2435754E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 06bla/pia; S°: 06bla/pia; Cp: 06bla/pia; V°: 78hel/del,78rob/hem;
|
|
|
|
Diopside
|
|
CaMg(SiO3)2 + 4.000H+ + 2.000H2O = 1.000Ca+2 + 1.000Mg+2 + 2.000H4SiO4
|
|
log_k 21.734
|
|
delta_h -158.241 #kJ/mol #Internal calculation
|
|
-analytic -7.3256027E+2 -1.2200954E-1 4.3264387E+4 2.6840491E+2 -1.6523537E+6
|
|
#References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh;
|
|
|
|
Dolomite
|
|
CaMg(CO3)2 + 2.000H+ = 2.000HCO3- + 1.000Ca+2 + 1.000Mg+2
|
|
log_k 3.533
|
|
delta_h -65.360 #kJ/mol #95rob/hem
|
|
-analytic -1.7923634E+3 -2.8963524E-1 9.9594493E+4 6.5114488E+2 -5.6008392E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del,92ajoh;
|
|
|
|
Dolomite(disordered)
|
|
CaMg(CO3)2 + 2.000H+ = 2.000HCO3- + 1.000Ca+2 + 1.000Mg+2
|
|
log_k 4.299
|
|
delta_h -73.162 #kJ/mol #78hel/del,92ajoh
|
|
-analytic -1.7814513E+3 -2.8852827E-1 9.9264201E+4 6.4714323E+2 -5.5534198E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del,92ajoh; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh;
|
|
|
|
Dolomite(ordered)
|
|
CaMg(CO3)2 + 2.000H+ = 2.000HCO3- + 1.000Ca+2 + 1.000Mg+2
|
|
log_k 2.754
|
|
delta_h -60.916 #kJ/mol #78hel/del,92ajoh
|
|
-analytic -1.7923812E+3 -2.8963813E-1 9.9363286E+4 6.5115141E+2 -5.6008892E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del,92ajoh; S°: 78hel/del,92ajoh; Cp: 95rob/hem; V°: 78hel/del,92ajoh;
|
|
|
|
Duftite
|
|
PbCuAsO4(OH) + 3.000H+ = 1.000H2AsO4- + 1.000Cu+2 + 1.000Pb+2 + 1.000H2O
|
|
log_k -1.975
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
Eastonite
|
|
KMg2Al3Si2O10(OH)2 + 14.000H+ = 3.000Al+3 + 1.000K+ + 2.000Mg+2 + 2.000H4SiO4 + 4.000H2O
|
|
log_k 46.297
|
|
delta_h -518.108 #kJ/mol #98hol/pow
|
|
-analytic -2.2626622E+3 -3.6781449E-1 1.3974058E+5 8.1502842E+2 -5.9384003E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 98hol/pow; Cp: 98hol/pow; V°: 98hol/pow;
|
|
|
|
Edenite(alpha)
|
|
Na(Ca2Mg5)(AlSi7)O22(OH)2 + 18.000H+ + 4.000H2O = 1.000Al+3 + 2.000Ca+2 + 5.000Mg+2 + 1.000Na+ + 7.000H4SiO4
|
|
log_k 81.914
|
|
delta_h -695.630 #kJ/mol #97got
|
|
-analytic -3.2738397E+3 -5.2963683E-1 1.9601616E+5 1.1899835E+3 -7.8504554E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 97got; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Enstatite(alpha)
|
|
MgSiO3 + 2.000H+ + 1.000H2O = 1.000Mg+2 + 1.000H4SiO4
|
|
log_k 11.840
|
|
delta_h -95.598 #kJ/mol #78hel/del
|
|
-analytic -4.0596458E+2 -6.5274481E-2 2.4728317E+4 1.4755347E+2 -9.5862765E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Epidote
|
|
Ca2FeAl2Si3O12(OH) + 13.000H+ = 2.000Al+3 + 2.000Ca+2 + 1.000Fe+3 + 3.000H4SiO4 + 1.000H2O
|
|
log_k 32.213
|
|
delta_h -319.731 #kJ/mol #04got
|
|
-analytic -1.9683601E+3 -3.3537675E-1 1.1609664E+5 7.1303625E+2 -4.7279254E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04got; S°: 04got; Cp: 04got; V°: 04got;
|
|
|
|
Epsomite
|
|
MgSO4:7H2O = 1.000Mg+2 + 1.000SO4-2 + 7.000H2O
|
|
log_k -1.882
|
|
delta_h 10.990 #kJ/mol #Internal calculation
|
|
-analytic -1.5513219E+3 -2.348529E-1 8.4843897E+4 5.6216047E+2 -4.9901416E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 95rob/hem;
|
|
|
|
Erdite
|
|
NaFeS2:2H2O + 0.875H+ = 1.000Fe+2 + 1.000Na+ + 1.875HS- + 0.125SO4-2 + 1.500H2O
|
|
log_k -5.502
|
|
delta_h -1601.564 #kJ/mol #14las/pia
|
|
-analytic -1.7758919E+3 -2.7870101E-1 9.5924056E+4 6.4515997E+2 -5.7471571E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 14las/pia; S°: 14las/pia; Cp: 14las/pia; V°: 14las/pia;
|
|
|
|
Eskolaite
|
|
Cr2O3 + 6.000H+ = 2.000Cr+3 + 3.000H2O
|
|
log_k 7.752
|
|
delta_h -27.640 #kJ/mol #04chi
|
|
-analytic -9.2143736E+2 -1.4829777E-1 5.6819072E+4 3.2801756E+2 -2.5624398E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04chi; S°: 04chi; Cp: 98cha; V°: 82pan;
|
|
|
|
Ettringite
|
|
Ca6Al2(SO4)3(OH)12:26H2O + 12.000H+ = 2.000Al+3 + 6.000Ca+2 + 3.000SO4-2 + 38.000H2O
|
|
log_k 56.958
|
|
delta_h -379.834 #kJ/mol #63ber/new
|
|
-analytic -5.8739201E+3 -9.2601596E-1 3.359888E+5 2.1355777E+3 -1.816004E+7
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: 63ber/new; S°: Internal calculation; Cp: 79ede/sat; V°: 70moo/tay;
|
|
|
|
Ettringite(Cr)
|
|
Ca6Al2(OH)12(CrO4)3:26H2O + 12.000H+ = 2.000Al+3 + 6.000Ca+2 + 3.000CrO4-2 + 38.000H2O
|
|
log_k 60.228
|
|
delta_h -503.048 #kJ/mol #00per/pal
|
|
-analytic -5.6621419E+3 -8.8153945E-1 3.3100874E+5 2.04981E+3 -1.7523479E+7
|
|
#References = LogK/DGf: 00per/pal; DHf/DHr: 00per/pal; S°: Internal calculation; Cp: 00per/pal; V°: 70moo/tay;
|
|
|
|
Ettringite(Fe)
|
|
Ca6Fe2(SO4)3(OH)12:26H2O + 12.000H+ = 6.000Ca+2 + 2.000Fe+3 + 3.000SO4-2 + 38.000H2O
|
|
log_k 54.538
|
|
delta_h -146.584 #kJ/mol #Internal calculation
|
|
-analytic -5.8142211E+3 -9.0312797E-1 3.330148E+5 2.1116997E+3 -1.8149699E+7
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 98gla/tyr;
|
|
|
|
Farringtonite
|
|
Mg3(PO4)2 + 4.000H+ = 3.000Mg+2 + 2.000H2PO4-
|
|
log_k 15.820
|
|
delta_h -214.093 #kJ/mol #Internal calculation
|
|
-analytic -2.1864644E+3 -3.514523E-1 1.2767779E+5 7.9006441E+2 -6.767132E+6
|
|
#References = LogK/DGf: 68rac/sop; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 63oet/mdo; V°: 84nri;
|
|
|
|
Faustite
|
|
ZnAl6(PO4)4(OH)8:4H2O + 16.000H+ = 6.000Al+3 + 4.000H2PO4- + 1.000Zn+2 + 12.000H2O
|
|
log_k 19.620
|
|
#References = LogK/DGf: 84nri;
|
|
#References = LogK/DGf: 84nri; V°: 63wyc;
|
|
|
|
Fayalite
|
|
Fe2SiO4 + 4.000H+ = 2.000Fe+2 + 1.000H4SiO4
|
|
log_k 19.024
|
|
delta_h -159.491 #kJ/mol #Internal calculation
|
|
-analytic -6.8762518E+2 -1.1070573E-1 4.2630586E+4 2.4917955E+2 -1.7694972E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Fe(element)
|
|
Fe + 0.500O2 + 2.000H+ = 1.000Fe+2 + 1.000H2O
|
|
log_k 58.855
|
|
delta_h -369.763 #kJ/mol #By convention
|
|
-analytic -4.014146E+2 -6.2766612E-2 4.1333856E+4 1.43645E+2 -1.3415415E+6
|
|
#References = S°: 95par/kho; Cp: 98cha; V°: 04fab/sax;
|
|
|
|
Fe(OH)2
|
|
Fe(OH)2 + 2.000H+ = 1.000Fe+2 + 2.000H2O
|
|
log_k 12.849
|
|
delta_h -88.120 #kJ/mol #Internal calculation
|
|
-analytic -2.9086021E+2 -4.4441353E-2 1.9654273E+4 1.0510539E+2 -8.0336702E+5
|
|
#References = LogK/DGf: 53leu/kho; DHf/DHr: Internal calculation; S°: 04chi; Cp: 98cha; V°: 01mer/vie;
|
|
|
|
Fe10S11
|
|
Fe10S11 + 9.000H+ + 0.750H2O = 10.000Fe+2 + 10.500HS- + 0.250S2O3-2
|
|
log_k -59.393
|
|
delta_h -9307.558 #kJ/mol #05wal/pel
|
|
-analytic -1.0247541E+4 -1.6442491E+0 5.5479559E+5 3.713517E+3 -3.3003255E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 08bla;
|
|
|
|
Fe11S12
|
|
Fe11S12 + 10.000H+ + 0.750H2O = 11.000Fe+2 + 11.500HS- + 0.250S2O3-2
|
|
log_k -64.318
|
|
delta_h -10183.030 #kJ/mol #05wal/pel
|
|
-analytic -1.1209127E+4 -1.7980662E+0 6.0722668E+5 4.0616032E+3 -3.6083435E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 08bla;
|
|
|
|
Fe2(SO4)3
|
|
Fe2(SO4)3 = 2.000Fe+3 + 3.000SO4-2
|
|
log_k 0.038
|
|
delta_h -43.057 #kJ/mol #05maj/nav
|
|
-analytic -5.0254842E+3 -8.1193357E-1 2.8639722E+5 1.8156972E+3 -1.6516854E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05maj/nav; S°: 05maj/nav; Cp: 02hem/sea; V°: 95rob/hem;
|
|
|
|
Fe7.016S8
|
|
Fe7.016S8 + 6.032H+ + 0.738H2O = 7.016Fe+2 + 7.508HS- + 0.246S2O3-2
|
|
log_k -47.306
|
|
delta_h -6681.355 #kJ/mol #05wal/pel
|
|
-analytic -7.4502653E+3 -1.2023844E+0 4.0062256E+5 2.7021792E+3 -2.3877714E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 08bla;
|
|
|
|
Fe9S10
|
|
Fe9S10 + 8.000H+ + 0.750H2O = 9.000Fe+2 + 9.500HS- + 0.250S2O3-2
|
|
log_k -55.459
|
|
delta_h -8430.205 #kJ/mol #05wal/pel
|
|
-analytic -9.2866178E+3 -1.490432E+0 5.0226629E+5 3.3654308E+3 -2.9923075E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 08bla;
|
|
|
|
FeCl2
|
|
FeCl2 = 2.000Cl- + 1.000Fe+2
|
|
log_k 8.981
|
|
delta_h -83.000 #kJ/mol #95par/kho
|
|
-analytic -1.5585132E+3 -2.5366E-1 8.9253296E+4 5.6618099E+2 -5.0857622E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95par/kho; S°: 95par/kho; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
FeCl2:2H2O
|
|
FeCl2:2H2O = 2.000Cl- + 1.000Fe+2 + 2.000H2O
|
|
log_k 4.358
|
|
delta_h -44.808 #kJ/mol #08bla
|
|
-analytic -1.5686338E+3 -2.42868E-1 8.7303116E+4 5.6888852E+2 -4.8971831E+6
|
|
#References = LogK/DGf: 08bla; DHf/DHr: 08bla; S°: Internal calculation; V°: 63wyc;
|
|
|
|
FeCl2:4H2O
|
|
FeCl2:4H2O = 2.000Cl- + 1.000Fe+2 + 4.000H2O
|
|
log_k 3.029
|
|
delta_h -24.776 #kJ/mol #08bla
|
|
-analytic -1.6320501E+3 -2.4549264E-1 8.9188377E+4 5.9186788E+2 -4.9251642E+6
|
|
#References = LogK/DGf: 04chr; DHf/DHr: 08bla; S°: Internal calculation; V°: Default value;
|
|
|
|
FeCl2:H2O
|
|
FeCl2:H2O = 2.000Cl- + 1.000Fe+2 + 1.000H2O
|
|
log_k 6.113
|
|
delta_h -63.904 #kJ/mol #08bla
|
|
-analytic -1.6192509E+3 -2.5484279E-1 9.1072961E+4 5.8736481E+2 -5.1123546E+6
|
|
#References = LogK/DGf: 08bla; DHf/DHr: 08bla; S°: Internal calculation; V°: Default value;
|
|
|
|
FeCl3
|
|
FeCl3 + 0.500H2O = 2.500Cl- + 1.000Fe+2 + 0.500ClO- + 1.000H+
|
|
log_k -2.347
|
|
delta_h -55.698 #kJ/mol #95par/kho
|
|
-analytic -2.200554E+3 -3.5861983E-1 1.215657E+5 7.9976034E+2 -7.2500453E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95par/kho; S°: 95par/kho; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
FeCl3:6H2O
|
|
FeCl3:6H2O = 3.000Cl- + 1.000Fe+3 + 6.000H2O
|
|
log_k 11.368
|
|
delta_h 44.382 #kJ/mol #08bla
|
|
-analytic -2.3364324E+3 -3.5441283E-1 1.2873391E+5 8.4914519E+2 -7.0635904E+6
|
|
#References = LogK/DGf: 95par/kho; DHf/DHr: 08bla; S°: Internal calculation; V°: 63wyc;
|
|
|
|
FeO
|
|
FeO + 2.000H+ = 1.000Fe+2 + 1.000H2O
|
|
log_k 13.357
|
|
delta_h -103.790 #kJ/mol #98cha
|
|
-analytic -3.1220383E+2 -4.834456E-2 2.1654221E+4 1.1211641E+2 -8.9588453E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Ferricopiapite
|
|
Fe5(SO4)6O(OH):20H2O + 3.000H+ = 5.000Fe+3 + 6.000SO4-2 + 22.000H2O
|
|
log_k -20.520
|
|
delta_h 272.108 #kJ/mol #02hem/sea
|
|
-analytic -1.0564876E+4 -1.583506E+0 5.8318376E+5 3.8099321E+3 -3.262022E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam;
|
|
|
|
Ferrihydrite(2L)
|
|
Fe(OH)3 + 3.000H+ = 1.000Fe+3 + 3.000H2O
|
|
log_k 3.399
|
|
delta_h 19.492 #kJ/mol #04maj/nav
|
|
-analytic -4.163067E+2 -6.3721905E-2 2.4777197E+4 1.4849926E+2 -1.0534262E+6
|
|
#References = LogK/DGf: 04maj/nav; DHf/DHr: 04maj/nav; S°: Internal calculation; Cp: 98cha; V°: 92wol;
|
|
|
|
Ferrihydrite(6L)
|
|
Fe(OH)3 + 3.000H+ = 1.000Fe+3 + 3.000H2O
|
|
log_k 2.999
|
|
delta_h 22.692 #kJ/mol #04maj/nav
|
|
-analytic -4.1614608E+2 -6.3721905E-2 2.461005E+4 1.4849926E+2 -1.0534262E+6
|
|
#References = LogK/DGf: 04maj/nav; DHf/DHr: 04maj/nav; S°: Internal calculation; Cp: 98cha; V°: 92wol;
|
|
|
|
Ferrite(Mn)
|
|
MnFe2O4 + 8.000H+ = 2.000Fe+3 + 1.000Mn+2 + 4.000H2O
|
|
log_k 14.904
|
|
delta_h -36.045 #kJ/mol #91kna/kub
|
|
-analytic -1.2061025E+3 -1.8386208E-1 7.2608251E+4 4.313399E+2 -3.1136494E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 91kna/kub; S°: 91kna/kub; V°: 63wyc;
|
|
|
|
Ferrohexahydrite
|
|
FeSO4:6H2O = 1.000Fe+2 + 1.000SO4-2 + 6.000H2O
|
|
log_k -2.531
|
|
delta_h 5.080 #kJ/mol #02hem/sea
|
|
-analytic -1.6596043E+3 -2.3653238E-1 8.9825981E+4 5.9913096E+2 -4.9951813E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 63wyc;
|
|
|
|
Ferropargasite
|
|
Na(Ca2Fe4Al)(Al2Si6)O22(OH)2 + 22.000H+ = 3.000Al+3 + 2.000Ca+2 + 4.000Fe+2 + 1.000Na+ + 6.000H4SiO4
|
|
log_k 83.811
|
|
delta_h -825.949 #kJ/mol #Internal calculation
|
|
-analytic -3.6647161E+3 -6.0530059E-1 2.225286E+5 1.3277171E+3 -9.1308196E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Ferrosilite(alpha)
|
|
FeSiO3 + 2.000H+ + 1.000H2O = 1.000Fe+2 + 1.000H4SiO4
|
|
log_k 8.049
|
|
delta_h -70.171 #kJ/mol #78hel/del,85hel
|
|
-analytic -3.7441336E+2 -6.2278443E-2 2.1736171E+4 1.3661561E+2 -8.8174094E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del,85hel; S°: 78hel/del,85hel; Cp: 78hel/del,85hel; V°: 78hel/del,85hel;
|
|
|
|
Ferrotremolite
|
|
(Ca2Fe5)Si8O22(OH)2 + 14.000H+ + 8.000H2O = 2.000Ca+2 + 5.000Fe+2 + 8.000H4SiO4
|
|
log_k 53.666
|
|
delta_h -430.891 #kJ/mol #Internal calculation
|
|
-analytic -2.5808755E+3 -4.3515611E-1 1.4518028E+5 9.4661918E+2 -5.778156E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
FeS(am)
|
|
FeS + 1.000H+ = 1.000Fe+2 + 1.000HS-
|
|
log_k -2.990
|
|
delta_h -882.717 #kJ/mol #Internal calculation
|
|
-analytic -9.7855552E+2 -1.5384783E-1 5.3595946E+4 3.5415352E+2 -3.0807102E+6
|
|
#References = LogK/DGf: 08bla; DHf/DHr: Internal calculation; S°: 08bla; V°: 08bla;
|
|
|
|
FeSO4
|
|
FeSO4 = 1.000Fe+2 + 1.000SO4-2
|
|
log_k 1.105
|
|
delta_h -67.140 #kJ/mol #02hem/sea
|
|
-analytic -1.6665074E+3 -2.6803428E-1 9.4749217E+4 6.0286264E+2 -5.5121344E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; Cp: 98cha; V°: 01mer/vie;
|
|
|
|
Florencite
|
|
CeAl3(PO4)2(OH)6 + 10.000H+ = 3.000Al+3 + 1.000Ce+3 + 2.000H2PO4- + 6.000H2O
|
|
log_k 16.571
|
|
delta_h -387.869 #kJ/mol #Internal calculation
|
|
-analytic -3.1500189E+3 -4.9720992E-1 1.8546506E+5 1.1308926E+3 -9.3817581E+6
|
|
#References = LogK/DGf: 93sch/got; DHf/DHr: Internal calculation; S°: 93sch/got; Cp: 93sch/got; V°: 93sch/got;
|
|
|
|
Florencite(La)
|
|
LaAl3(PO4)2(OH)6 + 10.000H+ = 3.000Al+3 + 1.000La+3 + 2.000H2PO4- + 6.000H2O
|
|
log_k 18.168
|
|
#References = LogK/DGf: 93sch/got;
|
|
#References = LogK/DGf: 93sch/got; V°: Default value;
|
|
|
|
Fluorapatite(Natur)
|
|
Ca5(PO4)3F + 6.000H+ = 5.000Ca+2 + 1.000F- + 3.000H2PO4-
|
|
log_k -0.910
|
|
delta_h -115.601 #kJ/mol #Internal calculation
|
|
-analytic -3.767611E+3 -6.2227721E-1 2.0719688E+5 1.3699122E+3 -1.177547E+7
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 71par/wag; Cp: 60kel; V°: 95rob/hem;
|
|
|
|
Fluorapatite(Pp)
|
|
Ca5(PO4)3F + 6.000H+ = 5.000Ca+2 + 1.000F- + 3.000H2PO4-
|
|
log_k 11.013
|
|
#References = LogK/DGf: 84vie/tar,after 71aduf;
|
|
#References = LogK/DGf: 84vie/tar,after 71aduf; Cp: 60kel; V°: 95rob/hem;
|
|
|
|
Fluorapatite(Synth)
|
|
Ca5(PO4)3F + 6.000H+ = 5.000Ca+2 + 1.000F- + 3.000H2PO4-
|
|
log_k -0.950
|
|
#References = LogK/DGf: 68mca,80bal/nor;
|
|
#References = LogK/DGf: 68mca,80bal/nor; Cp: 60kel; V°: 95rob/hem;
|
|
|
|
Fluorite
|
|
CaF2 = 1.000Ca+2 + 2.000F-
|
|
log_k -10.510
|
|
delta_h 14.560 #kJ/mol #Internal calculation
|
|
-analytic -1.6496881E+3 -2.661154E-1 8.8753095E+4 5.9836998E+2 -5.314625E+6
|
|
#References = LogK/DGf: 04gar/muc; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Fluorphlogopite
|
|
KMg3(AlSi3)O10(F)2 + 8.000H+ + 2.000H2O = 1.000Al+3 + 2.000F- + 1.000K+ + 3.000Mg+2 + 3.000H4SiO4
|
|
log_k 24.004
|
|
delta_h -318.663 #kJ/mol #95rob/hem
|
|
-analytic -3.131917E+3 -5.049797E-1 1.7879822E+5 1.134626E+3 -8.9577879E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 78hel/del,78rob/hem; Cp: 78hel/del,78rob/hem; V°: 78hel/del,78rob/hem;
|
|
|
|
Forsterite
|
|
Mg2SiO4 + 4.000H+ = 2.000Mg+2 + 1.000H4SiO4
|
|
log_k 28.604
|
|
delta_h -219.449 #kJ/mol #Internal calculation
|
|
-analytic -7.4523058E+2 -1.1637461E-1 4.8850021E+4 2.6925846E+2 -1.9178335E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Foshagite
|
|
Ca4Si3O9(OH)2:0.5H2O + 8.000H+ + 0.500H2O = 4.000Ca+2 + 3.000H4SiO4
|
|
log_k 65.960
|
|
delta_h -380.238 #kJ/mol #56new
|
|
-analytic -1.2585018E+3 -2.0240154E-1 8.1696099E+4 4.6241638E+2 -2.9709346E+6
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 56new; S°: Internal calculation; Cp: 10abla/bou; V°: 63wyc;
|
|
|
|
Friedel_Salt
|
|
Ca4Al2Cl2O6:10H2O + 12.000H+ = 2.000Al+3 + 4.000Ca+2 + 2.000Cl- + 16.000H2O
|
|
log_k 74.925
|
|
delta_h -486.198 #kJ/mol #10bbla/bou
|
|
-analytic -3.0374795E+3 -4.7993293E-1 1.857898E+5 1.1044722E+3 -8.9418034E+6
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: 10bbla/bou; S°: Internal calculation; Cp: 10bbla/bou; V°: 97tay;
|
|
|
|
Galena
|
|
PbS + 1.000H+ = 1.000Pb+2 + 1.000HS-
|
|
log_k -14.836
|
|
delta_h -785.832 #kJ/mol #98cha
|
|
-analytic -9.2559447E+2 -1.4783473E-1 4.6673934E+4 3.3654389E+2 -3.0637316E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 78hel/del;
|
|
|
|
Gallobeudantite
|
|
PbGa3(AsO4)(SO4)(OH)6 + 8.000H+ = 1.000H2AsO4- + 3.000Ga+3 + 1.000Pb+2 + 1.000SO4-2 + 6.000H2O
|
|
log_k -8.702
|
|
#References = LogK/DGf: 04gab/vie;
|
|
#References = LogK/DGf: 04gab/vie; V°: Default value;
|
|
|
|
GaOOH
|
|
GaOOH + 3.000H+ = 1.000Ga+3 + 2.000H2O
|
|
log_k 1.484
|
|
delta_h -42.093 #kJ/mol #Internal calculation
|
|
-analytic 1.0023293E+3 1.8221867E-1 -4.8673381E+4 -3.7313745E+2 2.7896611E+6
|
|
#References = LogK/DGf: 97ben/dia; DHf/DHr: Internal calculation; S°: 97ben/dia; Cp: 97ben/dia; V°: 97ben/dia;
|
|
|
|
Gaylussite
|
|
CaNa2(CO3)2:5H2O + 2.000H+ = 2.000HCO3- + 1.000Ca+2 + 2.000Na+ + 5.000H2O
|
|
log_k 11.222
|
|
delta_h 1.696 #kJ/mol #Internal calculation
|
|
-analytic -1.7413503E+3 -2.4392783E-1 9.3840709E+4 6.3322318E+2 -5.0058535E+6
|
|
#References = LogK/DGf: 99kon/kon; DHf/DHr: Internal calculation; S°: 99kon/kon; V°: 63wyc;
|
|
|
|
Gehlenite
|
|
Ca2(Al2Si)O7 + 10.000H+ = 2.000Al+3 + 2.000Ca+2 + 1.000H4SiO4 + 3.000H2O
|
|
log_k 55.231
|
|
delta_h -496.484 #kJ/mol #95rob/hem
|
|
-analytic -1.4208825E+3 -2.3883898E-1 9.5639504E+4 5.1235581E+2 -3.6663668E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Gibbsite
|
|
Al(OH)3 + 3.000H+ = 1.000Al+3 + 3.000H2O
|
|
log_k 7.734
|
|
delta_h -102.759 #kJ/mol #Internal calculation
|
|
-analytic -4.2700652E+2 -7.0855369E-2 2.6131397E+4 1.5366735E+2 -1.068398E+6
|
|
#References = LogK/DGf: 95pok/hel; DHf/DHr: Internal calculation; S°: 95pok/hel; Cp: 95pok/hel; V°: 78hel/del;
|
|
|
|
Gibbsite(am)
|
|
Al(OH)3 + 3.000H+ = 1.000Al+3 + 3.000H2O
|
|
log_k 10.574
|
|
delta_h -119.770 #kJ/mol #93bar
|
|
-analytic -4.4929247E+2 -6.6408411E-2 2.8481118E+4 1.6024593E+2 -1.1003056E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 93bar; S°: 93bar; V°: 78hel/del;
|
|
|
|
Gibbsite(mc)
|
|
Al(OH)3 + 3.000H+ = 1.000Al+3 + 3.000H2O
|
|
log_k 9.349
|
|
delta_h -102.510 #kJ/mol #90nor/plu
|
|
-analytic -4.474939E+2 -6.6408411E-2 2.7579567E+4 1.6024593E+2 -1.1003056E+6
|
|
#References = LogK/DGf: 90nor/plu; DHf/DHr: 90nor/plu; S°: Internal calculation; V°: 78hel/del;
|
|
|
|
Gismondine
|
|
Ca2Al4Si4O16:9H2O + 16.000H+ = 4.000Al+3 + 2.000Ca+2 + 4.000H4SiO4 + 9.000H2O
|
|
log_k 38.970
|
|
delta_h -477.047 #kJ/mol #08bla
|
|
-analytic -2.3623241E+3 -3.9758373E-1 1.3740107E+5 8.5707925E+2 -5.4934427E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 08bla; S°: 10vie; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Glaserite
|
|
Na2K6(SO4)4 = 6.000K+ + 2.000Na+ + 4.000SO4-2
|
|
log_k -7.610
|
|
delta_h 78.360 #kJ/mol #82wag/eva
|
|
-analytic -6.2606699E+3 -9.6072689E-1 3.4399118E+5 2.270977E+3 -2.0768704E+7
|
|
#References = LogK/DGf: 80har/wea; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: 63wyc;
|
|
|
|
Glauberite
|
|
Na2Ca(SO4)2 = 1.000Ca+2 + 2.000Na+ + 2.000SO4-2
|
|
log_k 1.970
|
|
delta_h -13.160 #kJ/mol #82wag/eva
|
|
-analytic -3.3021312E+3 -5.1053323E-1 1.8312356E+5 1.197834E+3 -1.08312E+7
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: 63wyc;
|
|
|
|
Glauconite
|
|
(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 + 7.000H+ + 3.000H2O = 0.500Al+3 + 1.250Fe+3 + 0.750K+ + 0.250Mg+2 + 3.750H4SiO4 + 0.250Fe+2
|
|
log_k 1.859
|
|
delta_h -6.061 #kJ/mol #15bla/vie
|
|
-analytic -1.2913768E+3 -2.1105467E-1 6.897738E+4 4.6834296E+2 -3.0289483E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Glaucophane
|
|
Na2(Mg3Al2)Si8O22(OH)2 + 14.000H+ + 8.000H2O = 2.000Al+3 + 3.000Mg+2 + 2.000Na+ + 8.000H4SiO4
|
|
log_k 36.994
|
|
delta_h -397.394 #kJ/mol #95rob/hem
|
|
-analytic -2.9923592E+3 -4.5495579E-1 1.6325111E+5 1.0864375E+3 -6.2996903E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Goethite
|
|
FeOOH + 3.000H+ = 1.000Fe+3 + 2.000H2O
|
|
log_k 0.359
|
|
delta_h 38.222 #kJ/mol #03maj/gre
|
|
-analytic -4.5237594E+2 -7.4573572E-2 2.5358223E+4 1.6282127E+2 -1.1532226E+6
|
|
#References = LogK/DGf: 95par/kho; DHf/DHr: 03maj/gre; S°: Internal calculation; Cp: 03maj/gre; V°: 95rob/hem;
|
|
|
|
Gorceixite
|
|
BaAl3(PO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 1.000Ba+2 + 2.000H2PO4- + 6.000H2O
|
|
log_k 13.698
|
|
#References = LogK/DGf: 89sch/her;
|
|
#References = LogK/DGf: 89sch/her; V°: Default value;
|
|
|
|
Goyazite
|
|
SrAl3(PO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2PO4- + 1.000Sr+2 + 6.000H2O
|
|
log_k 16.840
|
|
delta_h -334.188 #kJ/mol #Internal calculation
|
|
-analytic -2.9263008E+3 -4.5868866E-1 1.7030224E+5 1.052665E+3 -8.5380877E+6
|
|
#References = LogK/DGf: 89sch/her; DHf/DHr: Internal calculation; S°: 04gab/vie; Cp: 04gab/vie; V°: 04gab/vie;
|
|
|
|
Greenalite
|
|
Fe3Si2O5(OH)4 + 6.000H+ = 3.000Fe+2 + 2.000H4SiO4 + 1.000H2O
|
|
log_k 21.762
|
|
delta_h -177.218 #kJ/mol #83miy/kle
|
|
-analytic -1.0283665E+3 -1.6538517E-1 5.965835E+4 3.7468953E+2 -2.4713913E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 83miy/kle; S°: 83miy/kle; Cp: 83miy/kle; V°: 78hel/del;
|
|
|
|
Greenockite
|
|
CdS + 1.000H+ = 1.000Cd+2 + 1.000HS-
|
|
log_k -14.820
|
|
delta_h -812.203 #kJ/mol #06deo/nav
|
|
-analytic -9.3407344E+2 -1.4889994E-1 4.7625858E+4 3.3842378E+2 -2.9777133E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 06deo/nav; S°: 06bla/pia; Cp: 99yun/glu; V°: 95rob/hem;
|
|
|
|
Greenrust(Cl)
|
|
Fe4(OH)8Cl + 8.000H+ = 1.000Cl- + 3.000Fe+2 + 1.000Fe+3 + 8.000H2O
|
|
log_k 32.314
|
|
#References = LogK/DGf: 04chi;
|
|
#References = LogK/DGf: 04chi; V°: Default value;
|
|
|
|
Greenrust(CO3)
|
|
Fe6(OH)12CO3:2H2O + 13.000H+ = 1.000HCO3- + 4.000Fe+2 + 2.000Fe+3 + 14.000H2O
|
|
log_k 45.318
|
|
#References = LogK/DGf: 04chi;
|
|
#References = LogK/DGf: 04chi; V°: Default value;
|
|
|
|
Greenrust(OH)
|
|
Fe3O2(OH)4 + 8.000H+ = 2.000Fe+3 + 1.000Fe+2 + 6.000H2O
|
|
log_k 17.169
|
|
#References = LogK/DGf: 04chi;
|
|
#References = LogK/DGf: 04chi; V°: Default value;
|
|
|
|
Greenrust(SO3)
|
|
Fe8(OH)16SO3:4H2O + 14.000H+ = 8.000Fe+2 + 1.000SO4-2 + 19.000H2O
|
|
log_k 89.151
|
|
#References = LogK/DGf: 04chi;
|
|
#References = LogK/DGf: 04chi; V°: Default value;
|
|
|
|
Greenrust2(SO4)
|
|
Fe6(OH)12SO4:2H2O + 12.000H+ = 4.000Fe+2 + 1.000SO4-2 + 2.000Fe+3 + 14.000H2O
|
|
log_k 37.483
|
|
#References = LogK/DGf: 04chi;
|
|
#References = LogK/DGf: 04chi; V°: Default value;
|
|
|
|
Greigite
|
|
Fe3S4 + 2.000H+ + 0.750H2O = 3.000Fe+2 + 3.500HS- + 0.250S2O3-2
|
|
log_k -21.888
|
|
delta_h -3219.517 #kJ/mol #08bla
|
|
-analytic -3.570201E+3 -5.6427322E-1 1.9194922E+5 1.2935617E+3 -1.1385836E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 08bla; S°: 08bla; V°: 90rob/cam;
|
|
|
|
Grossular
|
|
Ca3Al2Si3O12 + 12.000H+ = 2.000Al+3 + 3.000Ca+2 + 3.000H4SiO4
|
|
log_k 49.356
|
|
delta_h -449.383 #kJ/mol #95rob/hem
|
|
-analytic -1.7898762E+3 -3.0785068E-1 1.0917507E+5 6.518296E+2 -4.2728457E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh;
|
|
|
|
Grunerite
|
|
Fe7Si8O22(OH)2 + 14.000H+ + 8.000H2O = 7.000Fe+2 + 8.000H4SiO4
|
|
log_k 48.006
|
|
delta_h -409.914 #kJ/mol #95rob/hem
|
|
-analytic -2.6902892E+3 -4.4886859E-1 1.4998014E+5 9.8514049E+2 -6.0960086E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Guerinite
|
|
Ca5H2(AsO4)4:9H2O + 6.000H+ = 4.000H2AsO4- + 5.000Ca+2 + 9.000H2O
|
|
log_k 19.677
|
|
#References = LogK/DGf: 99bot/bro;
|
|
#References = LogK/DGf: 99bot/bro; V°: 00bla/bid;
|
|
|
|
Gypsum
|
|
CaSO4:2H2O = 1.000Ca+2 + 1.000SO4-2 + 2.000H2O
|
|
log_k -4.607
|
|
delta_h -1.054 #kJ/mol #CODATA87
|
|
-analytic -1.5780732E+3 -2.5084443E-1 8.6902239E+4 5.7206662E+2 -5.2231969E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: CODATA87; S°: CODATA87; Cp: 74nau/ryz; V°: 95rob/hem;
|
|
|
|
Gyrolite
|
|
Ca2Si3O7.5(OH):2H2O + 4.000H+ + 1.500H2O = 2.000Ca+2 + 3.000H4SiO4
|
|
log_k 22.340
|
|
delta_h -122.848 #kJ/mol #10abla/bou
|
|
-analytic -6.8755561E+2 -1.1318025E-1 3.8602432E+4 2.5449685E+2 -1.3839182E+6
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 10abla/bou;
|
|
|
|
Halite
|
|
NaCl = 1.000Cl- + 1.000Na+
|
|
log_k 1.594
|
|
delta_h 3.700 #kJ/mol #78hel/del, 98cha
|
|
-analytic -7.5224954E+2 -1.1904958E-1 4.1385703E+4 2.7417933E+2 -2.4809109E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del, 98cha; S°: 98cha; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Halloysite
|
|
Al2Si2O5(OH)4 + 6.000H+ = 2.000Al+3 + 2.000H4SiO4 + 1.000H2O
|
|
log_k 10.322
|
|
delta_h -192.418 #kJ/mol #06bla/pia
|
|
-analytic -1.0007791E+3 -1.6597303E-1 5.8190625E+4 3.6071492E+2 -2.4135956E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 06bla/pia; S°: 06bla/pia; Cp: 06bla/pia; V°: 78hel/del,78rob/hem;
|
|
|
|
Halotrichite
|
|
FeAl2(SO4)4:22H2O = 2.000Al+3 + 1.000Fe+2 + 4.000SO4-2 + 22.000H2O
|
|
log_k -8.268
|
|
delta_h -51.420 #kJ/mol #02hem/sea
|
|
-analytic -6.5973401E+3 -9.5997803E-1 3.6022096E+5 2.3813523E+3 -2.0036447E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam;
|
|
|
|
Hedenbergite
|
|
CaFe(SiO3)2 + 4.000H+ + 2.000H2O = 1.000Ca+2 + 1.000Fe+2 + 2.000H4SiO4
|
|
log_k 19.962
|
|
delta_h -145.672 #kJ/mol #Internal calculation
|
|
-analytic -7.0088314E+2 -1.1895508E-1 4.0925244E+4 2.573353E+2 -1.5744594E+6
|
|
#References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh;
|
|
|
|
Hellyerite
|
|
NiCO3:6H2O + 1.000H+ = 1.000HCO3- + 1.000Ni+2 + 6.000H2O
|
|
log_k 2.811
|
|
delta_h -8.036 #kJ/mol #Internal calculation
|
|
-analytic -7.2497477E+2 -1.1756105E-1 4.0155828E+4 2.6463372E+2 -2.3703872E+6
|
|
#References = LogK/DGf: 02wal/pre; DHf/DHr: Internal calculation; S°: 02wal/pre; Cp: 13bla/gab; V°: 02wal/pre;
|
|
|
|
Hematite
|
|
Fe2O3 + 6.000H+ = 2.000Fe+3 + 3.000H2O
|
|
log_k -0.048
|
|
delta_h 68.503 #kJ/mol #90hem
|
|
-analytic -8.7606837E+2 -1.4278141E-1 5.020992E+4 3.1370037E+2 -2.3152594E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 90hem; S°: 90hem; Cp: 90hem; V°: 78hel/del;
|
|
|
|
Hemicarboaluminate
|
|
Ca8Al4CO16:22H2O + 27.000H+ = 4.000Al+3 + 1.000HCO3- + 8.000Ca+2 + 35.000H2O
|
|
log_k 183.649
|
|
delta_h -1204.541 #kJ/mol #Internal calculation
|
|
-analytic -4.0960967E+3 -6.33474E-1 2.7433851E+5 1.485131E+3 -1.1234344E+7
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 97tay;
|
|
|
|
Hemihydroxichloride(Ca)
|
|
Ca2(OH)2Cl2:H2O + 2.000H+ = 2.000Ca+2 + 2.000Cl- + 3.000H2O
|
|
log_k 26.529
|
|
#References = LogK/DGf: 84har/mol;
|
|
#References = LogK/DGf: 84har/mol; V°: Default value;
|
|
|
|
Heulandite(Ca)
|
|
Ca1.07Al2.14Si6.86O18:6.17H2O + 8.560H+ + 3.270H2O = 2.140Al+3 + 1.070Ca+2 + 6.860H4SiO4
|
|
log_k 2.461
|
|
delta_h -155.114 #kJ/mol #09bla
|
|
-analytic -1.628558E+3 -2.8912394E-1 7.9875598E+4 5.9919633E+2 -2.9650422E+6
|
|
#References = LogK/DGf: 09bla; DHf/DHr: 09bla; S°: Internal calculation; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Heulandite(Na)
|
|
Na2.14Al2.14Si6.86O18:6.17H2O + 8.560H+ + 3.270H2O = 2.140Al+3 + 2.140Na+ + 6.860H4SiO4
|
|
log_k 2.801
|
|
delta_h -142.782 #kJ/mol #09bla
|
|
-analytic -1.6826166E+3 -2.8483288E-1 8.32622E+4 6.1698675E+2 -3.1660021E+6
|
|
#References = LogK/DGf: 09bla; DHf/DHr: 09bla; S°: Internal calculation; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Hexahydrite
|
|
MgSO4:6H2O = 1.000Mg+2 + 1.000SO4-2 + 6.000H2O
|
|
log_k -1.642
|
|
delta_h -4.625 #kJ/mol #Internal calculation
|
|
-analytic -1.5635759E+3 -2.3958884E-1 8.6359372E+4 5.6613697E+2 -5.0804651E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 63wyc;
|
|
|
|
Hg(l)
|
|
Hg = 1.000Hg
|
|
log_k -6.502
|
|
delta_h -109.553 #kJ/mol #By convention
|
|
-analytic 1.6301862E+2 2.9252808E-2 -1.3987911E+4 -5.8730822E+1 1.24437E+6
|
|
#References = S°: 89cox/wag; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Hg2SO4
|
|
Hg2SO4 = 1.000Hg2+2 + 1.000SO4-2
|
|
log_k -6.192
|
|
delta_h -105.593 #kJ/mol #89cox/wag
|
|
-analytic -1.5653551E+3 -2.5198692E-1 8.5552386E+4 5.6783708E+2 -5.1315194E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 77bar/kna; V°: 95rob/hem;
|
|
|
|
Hg3(OH)3PO4
|
|
Hg3(OH)3PO4 + 5.000H+ = 3.000Hg+2 + 1.000H2PO4- + 3.000H2O
|
|
log_k -2.189
|
|
#References = LogK/DGf: 05pow/bro;
|
|
#References = LogK/DGf: 05pow/bro; V°: Default value;
|
|
|
|
Hg3(PO4)2
|
|
Hg3(PO4)2 + 4.000H+ = 3.000Hg+2 + 2.000H2PO4-
|
|
log_k -10.175
|
|
#References = LogK/DGf: 05pow/bro;
|
|
#References = LogK/DGf: 05pow/bro; V°: Default value;
|
|
|
|
HgCO3.2HgO
|
|
HgCO3(HgO)2 + 5.000H+ = 1.000HCO3- + 3.000Hg+2 + 2.000H2O
|
|
log_k -0.871
|
|
#References = LogK/DGf: 05pow/bro;
|
|
#References = LogK/DGf: 05pow/bro; V°: Default value;
|
|
|
|
HgHPO4
|
|
HgHPO4 + 1.000H+ = 1.000Hg+2 + 1.000H2PO4-
|
|
log_k -5.887
|
|
#References = LogK/DGf: 05pow/bro;
|
|
#References = LogK/DGf: 05pow/bro; V°: Default value;
|
|
|
|
HgO(cr)
|
|
HgO + 2.000H+ = 1.000Hg+2 + 1.000H2O
|
|
log_k 2.444
|
|
delta_h -24.830 #kJ/mol #89cox/wag
|
|
-analytic -2.6918944E+2 -4.062154E-2 1.509946E+4 9.7449556E+1 -7.1398761E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Hilgenstockite
|
|
Ca4O(PO4)2 + 6.000H+ = 4.000Ca+2 + 2.000H2PO4- + 1.000H2O
|
|
log_k 23.593
|
|
#References = LogK/DGf: 84vie/tar,after 71bduf;
|
|
#References = LogK/DGf: 84vie/tar,after 71bduf; V°: Default value;
|
|
|
|
Hillebrandite
|
|
Ca2SiO3(OH)2:0.17H2O + 4.000H+ = 2.000Ca+2 + 1.000H4SiO4 + 1.170H2O
|
|
log_k 36.950
|
|
delta_h -219.135 #kJ/mol #56new
|
|
-analytic -5.190987E+2 -8.4848571E-2 3.6710332E+4 1.9067891E+2 -1.2092747E+6
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 56new; S°: Internal calculation; Cp: 10abla/bou; V°: 95dai/pos;
|
|
|
|
Hinsdalite
|
|
PbAl3(PO4)(SO4)(OH)6 + 8.000H+ = 3.000Al+3 + 1.000H2PO4- + 1.000Pb+2 + 1.000SO4-2 + 6.000H2O
|
|
log_k 6.683
|
|
#References = LogK/DGf: 78ric/nri;
|
|
#References = LogK/DGf: 78ric/nri; V°: 63wyc;
|
|
|
|
Hopeite(alpha)
|
|
Zn3(PO4)2:4H2O + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 + 4.000H2O
|
|
log_k -10.611
|
|
delta_h -106.828 #kJ/mol #84vie/tar, after 78yag
|
|
-analytic -2.236721E+3 -3.2581228E-1 1.2372475E+5 8.0060834E+2 -6.4694289E+6
|
|
#References = LogK/DGf: 73bnri,76smi/mar; DHf/DHr: 84vie/tar, after 78yag; S°: Internal calculation; V°: 63wyc;
|
|
|
|
Hopeite(beta)
|
|
Zn3(PO4)2:4H2O + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 + 4.000H2O
|
|
log_k 8.460
|
|
delta_h -117.328 #kJ/mol #79vol
|
|
-analytic -2.2194893E+3 -3.2581228E-1 1.242732E+5 8.0060834E+2 -6.4694289E+6
|
|
#References = LogK/DGf: 84vie/tar; DHf/DHr: 79vol; S°: Internal calculation; V°: 63wyc;
|
|
|
|
Huntite
|
|
CaMg3(CO3)4 + 4.000H+ = 4.000HCO3- + 1.000Ca+2 + 3.000Mg+2
|
|
log_k 42.027
|
|
delta_h -351.140 #kJ/mol #73hem/rob
|
|
-analytic -3.6441569E+3 -5.8648612E-1 2.1369929E+5 1.3223465E+3 -1.1357584E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 73hem/rob; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Hydrocalumnite(Cr)
|
|
(CaCrO4)Al2O3(CaO)3:15H2O + 12.000H+ = 2.000Al+3 + 4.000Ca+2 + 1.000CrO4-2 + 21.000H2O
|
|
log_k 71.313
|
|
delta_h -541.448 #kJ/mol #01per/pal
|
|
-analytic -3.5783207E+3 -5.0255465E-1 2.139394E+5 1.2884901E+3 -9.4556278E+6
|
|
#References = LogK/DGf: 01per/pal; DHf/DHr: 01per/pal; S°: Internal calculation; V°: Default value;
|
|
|
|
Hydrocerussite
|
|
Pb3(CO3)2(OH)2 + 4.000H+ = 2.000HCO3- + 3.000Pb+2 + 2.000H2O
|
|
log_k 2.747
|
|
delta_h -34.559 #kJ/mol #83san/bar
|
|
-analytic -2.0958245E+3 -3.1542372E-1 1.1585472E+5 7.5875556E+2 -6.5296475E+6
|
|
#References = LogK/DGf: 84tay/lop; DHf/DHr: 83san/bar; S°: Internal calculation; V°: 63wyc;
|
|
|
|
Hydromagnesite
|
|
Mg5(OH)2(CO3)4:4H2O + 6.000H+ = 4.000HCO3- + 5.000Mg+2 + 6.000H2O
|
|
log_k 30.992
|
|
delta_h -293.700 #kJ/mol #99kon/kon
|
|
-analytic -3.9533154E+3 -6.2370002E-1 2.2665545E+5 1.4330902E+3 -1.2092221E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 99kon/kon; S°: 99kon/kon; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Hydrophilite
|
|
CaCl2 = 1.000Ca+2 + 2.000Cl-
|
|
log_k 11.642
|
|
delta_h -81.770 #kJ/mol #87gar/par
|
|
-analytic -1.5067301E+3 -2.4695275E-1 8.6378175E+4 5.4864605E+2 -4.9159323E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Hydrotalcite
|
|
Mg4Al2O7:10H2O + 14.000H+ = 2.000Al+3 + 4.000Mg+2 + 17.000H2O
|
|
log_k 73.735
|
|
delta_h -584.221 #kJ/mol #Internal calculation
|
|
-analytic -2.1319886E+3 -3.089556E-1 1.4017778E+5 7.6446731E+2 -5.6842725E+6
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 97tay;
|
|
|
|
Hydrotalcite(CO3)
|
|
Mg4Al2(OH)12(CO3):2H2O + 13.000H+ = 2.000Al+3 + 1.000HCO3- + 4.000Mg+2 + 14.000H2O
|
|
log_k 61.185
|
|
delta_h -557.469 #kJ/mol #Internal calculation
|
|
-analytic -2.7259893E+3 -4.1336153E-1 1.7153982E+5 9.7916011E+2 -7.8046336E+6
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 97tay;
|
|
|
|
Hydroxichloride(Ca)
|
|
CaOHCl + 1.000H+ = 1.000Ca+2 + 1.000Cl- + 1.000H2O
|
|
log_k 13.193
|
|
delta_h -82.086 #kJ/mol #Internal calculation
|
|
-analytic -9.0785233E+2 -1.4800871E-1 5.3456912E+4 3.3079406E+2 -2.9022986E+6
|
|
#References = LogK/DGf: 97all/dol,06bod/las; DHf/DHr: Internal calculation; S°: 97all/dol,06bod/las; Cp: 97all/dol; V°: Default value;
|
|
|
|
Hydroxichloride(Ca:13H2O)
|
|
Ca4Cl2(OH)6:13H2O + 6.000H+ = 4.000Ca+2 + 2.000Cl- + 19.000H2O
|
|
log_k 68.724
|
|
delta_h -271.930 #kJ/mol #82wag/eva
|
|
-analytic -2.5144134E+3 -3.3619106E-1 1.4584355E+5 9.1581072E+2 -6.3916917E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: Default value;
|
|
|
|
Hydroxichloride(Ca:H2O)
|
|
CaCl(OH):H2O + 1.000H+ = 1.000Ca+2 + 1.000Cl- + 2.000H2O
|
|
log_k 11.350
|
|
delta_h -63.609 #kJ/mol #Internal calculation
|
|
-analytic -9.0320997E+2 -1.463023E-1 5.2136315E+4 3.2952491E+2 -2.8511568E+6
|
|
#References = LogK/DGf: 06bod/las; DHf/DHr: Internal calculation; S°: 06bod/las; Cp: 06bod/las; V°: Default value;
|
|
|
|
Hydroxichloride(Mg:4H2O)
|
|
Mg2Cl(OH)3:4H2O + 3.000H+ = 1.000Cl- + 2.000Mg+2 + 7.000H2O
|
|
log_k 26.028
|
|
delta_h -154.690 #kJ/mol #82wag/eva
|
|
-analytic -1.3894413E+3 -1.917876E-1 8.1521697E+4 5.019129E+2 -3.7979984E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: Default value;
|
|
|
|
Hydroxyapatite(Natur)
|
|
Ca5(PO4)3(OH) + 7.000H+ = 5.000Ca+2 + 3.000H2PO4- + 1.000H2O
|
|
log_k 14.335
|
|
delta_h -178.395 #kJ/mol #Internal calculation
|
|
-analytic -3.0691022E+3 -5.0928107E-1 1.7215888E+5 1.1170822E+3 -9.4486356E+6
|
|
#References = LogK/DGf: 06bla/pia; DHf/DHr: Internal calculation; S°: 71par/wag; Cp: 60kel; V°: 95rob/hem;
|
|
|
|
Illite(Al)
|
|
K0.85Al2.85Si3.15O10(OH)2 + 9.400H+ + 0.600H2O = 2.850Al+3 + 0.850K+ + 3.150H4SiO4
|
|
log_k 13.020
|
|
delta_h -266.373 #kJ/mol #15bla/vie
|
|
-analytic -1.5387534E+3 -2.5698564E-1 8.8502308E+4 5.5542116E+2 -3.8044185E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Illite(FeII)
|
|
K0.85Fe0.25Al2.35Si3.4O10(OH)2 + 8.400H+ + 1.600H2O = 2.350Al+3 + 0.250Fe+2 + 0.850K+ + 3.400H4SiO4
|
|
log_k 9.455
|
|
delta_h -216.501 #kJ/mol #15bla/vie
|
|
-analytic -1.4595683E+3 -2.4184666E-1 8.2260382E+4 5.2766954E+2 -3.5962958E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Illite(FeIII)
|
|
K0.85Fe0.25Al2.6Si3.15O10(OH)2 + 9.400H+ + 0.600H2O = 2.600Al+3 + 0.250Fe+3 + 0.850K+ + 3.150H4SiO4
|
|
log_k 12.366
|
|
delta_h -237.562 #kJ/mol #15bla/vie
|
|
-analytic -1.5384465E+3 -2.5637966E-1 8.82495E+4 5.5525367E+2 -3.7937089E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Illite(IMt2)
|
|
(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.376Mg0.241)O10(OH)2 + 8.452H+ + 1.548H2O = 2.040Al+3 + 0.292Fe+3 + 0.762K+ + 0.241Mg+2 + 0.044Na+ + 3.387H4SiO4 + 0.084Fe+2
|
|
log_k 11.522
|
|
delta_h -201.933 #kJ/mol #12gai/bla
|
|
-analytic -1.4826764E+3 -2.515287E-1 8.2740664E+4 5.3786616E+2 -3.4878725E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 12gai/bla; S°: 12gai/bla; Cp: 12gai/bla; V°: 12gai/bla;
|
|
|
|
Illite(Mg)
|
|
K0.85Mg0.25Al2.35Si3.4O10(OH)2 + 8.400H+ + 1.600H2O = 2.350Al+3 + 0.850K+ + 0.250Mg+2 + 3.400H4SiO4
|
|
log_k 11.011
|
|
delta_h -225.651 #kJ/mol #15bla/vie
|
|
-analytic -1.4676871E+3 -2.4262682E-1 8.3182692E+4 5.3052138E+2 -3.6178935E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Ilmenite
|
|
FeTiO3 + 2.000H+ + 1.000H2O = 1.000Fe+2 + 1.000Ti(OH)4
|
|
log_k 1.817
|
|
delta_h -87.445 #kJ/mol #Internal calculation
|
|
-analytic -8.0200194E+2 -8.5185125E-2 4.4828449E+4 2.8202101E+2 -1.6872918E+6
|
|
#References = LogK/DGf: 95rob/hem; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Imogolite
|
|
Al2SiO3(OH)4 + 6.000H+ = 2.000Al+3 + 1.000H4SiO4 + 3.000H2O
|
|
log_k 13.079
|
|
delta_h -205.884 #kJ/mol #82far/fra
|
|
-analytic -9.9685396E+2 -1.5191817E-1 5.9250133E+4 3.5684713E+2 -2.355096E+6
|
|
#References = LogK/DGf: 96su/har; DHf/DHr: 82far/fra; S°: Internal calculation; V°: 90rob/cam;
|
|
|
|
Jacobsite
|
|
Mn(FeO2)2 + 8.000H+ = 2.000Fe+3 + 1.000Mn+2 + 4.000H2O
|
|
log_k 15.737
|
|
delta_h -38.555 #kJ/mol #73bar/kna
|
|
-analytic -1.1571204E+3 -1.8677406E-1 7.0158142E+4 4.1537986E+2 -3.0755137E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 73bar/kna; S°: 73bar/kna; Cp: 73bar/kna; V°: 73bar/kna;
|
|
|
|
Jadeite
|
|
NaAl(SiO3)2 + 4.000H+ + 2.000H2O = 1.000Al+3 + 1.000Na+ + 2.000H4SiO4
|
|
log_k 7.553
|
|
delta_h -100.168 #kJ/mol #95rob/hem
|
|
-analytic -7.347264E+2 -1.230073E-1 4.0419614E+4 2.6777329E+2 -1.7069016E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del;
|
|
|
|
Jaffeite
|
|
Ca6(Si2O7)(OH)6 + 12.000H+ = 6.000Ca+2 + 2.000H4SiO4 + 5.000H2O
|
|
log_k 114.057
|
|
delta_h -636.767 #kJ/mol #10abla/bou
|
|
-analytic -1.5349618E+3 -2.439677E-1 1.0904909E+5 5.6451902E+2 -3.6321747E+6
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 95ant/bid;
|
|
|
|
Jarosite(Ag)
|
|
AgFe3(SO4)2(OH)6 + 6.000H+ = 1.000Ag+ + 3.000Fe+3 + 2.000SO4-2 + 6.000H2O
|
|
log_k -11.585
|
|
#References = LogK/DGf: 75kas/bor;
|
|
#References = LogK/DGf: 75kas/bor; V°: Default value;
|
|
|
|
Jarosite(Cr)
|
|
KFe3(CrO4)2(OH)6 + 6.000H+ = 2.000CrO4-2 + 3.000Fe+3 + 1.000K+ + 6.000H2O
|
|
log_k -17.953
|
|
delta_h 187.025 #kJ/mol #96bbar/pal
|
|
-analytic -4.3142513E+3 -6.6392259E-1 2.367507E+5 1.5553893E+3 -1.3203161E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 96bbar/pal; S°: 96bbar/pal; V°: Default value;
|
|
|
|
Jarosite(H)
|
|
(H3O)Fe3(SO4)2(OH)6 + 5.000H+ = 3.000Fe+3 + 2.000SO4-2 + 7.000H2O
|
|
log_k -5.148
|
|
delta_h 100.355 #kJ/mol #04maj/ste
|
|
-analytic -4.1136071E+3 -6.6032279E-1 2.3021634E+5 1.4862583E+3 -1.2841946E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04maj/ste; S°: 04maj/ste; Cp: 04maj/ste; V°: 90rob/cam;
|
|
|
|
Jarosite(K)
|
|
KFe3(SO4)2(OH)6 + 6.000H+ = 3.000Fe+3 + 1.000K+ + 2.000SO4-2 + 6.000H2O
|
|
log_k -11.002
|
|
delta_h 193.445 #kJ/mol #03dro/nav
|
|
-analytic -4.0725038E+3 -6.6132758E-1 2.2330981E+5 1.4763122E+3 -1.2742552E+7
|
|
#References = LogK/DGf: 96abar/pal; DHf/DHr: 03dro/nav; S°: Internal calculation; Cp: 03dro/nav; V°: 76men/sab;
|
|
|
|
Jarosite(Na)
|
|
NaFe3(SO4)2(OH)6 + 6.000H+ = 3.000Fe+3 + 1.000Na+ + 2.000SO4-2 + 6.000H2O
|
|
log_k 6.730
|
|
delta_h 48.745 #kJ/mol #93sto
|
|
-analytic -4.1386952E+3 -6.6780193E-1 2.3397518E+5 1.4972138E+3 -1.2888144E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 93sto; S°: 93sto; Cp: 93sto; V°: 08bas/pet;
|
|
|
|
Jarosite(NH4)
|
|
NH4Fe3(SO4)2(OH)6 + 5.000H+ = 3.000Fe+3 + 1.000NH3 + 2.000SO4-2 + 6.000H2O
|
|
log_k -19.030
|
|
#References = LogK/DGf: 75kas/bor;
|
|
#References = LogK/DGf: 75kas/bor; V°: Default value;
|
|
|
|
Jarosite(Pb)
|
|
Pb0.5Fe3(SO4)2(OH)6 + 6.000H+ = 3.000Fe+3 + 0.500Pb+2 + 2.000SO4-2 + 6.000H2O
|
|
log_k -11.456
|
|
#References = LogK/DGf: 75kas/bor;
|
|
#References = LogK/DGf: 75kas/bor; V°: Default value;
|
|
|
|
Jennite
|
|
Ca9Si6H22O32 + 18.000H+ = 9.000Ca+2 + 6.000H4SiO4 + 8.000H2O
|
|
log_k 147.327
|
|
delta_h -751.765 #kJ/mol #10abla/bou
|
|
-analytic -2.6307573E+3 -4.0861633E-1 1.6862399E+5 9.7047348E+2 -5.9582818E+6
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 92tay;
|
|
|
|
K(element)
|
|
K + 0.250O2 + 1.000H+ = 1.000K+ + 0.500H2O
|
|
log_k 70.991
|
|
delta_h -392.022 #kJ/mol #By convention
|
|
-analytic -9.1374135E+1 -1.3192528E-2 2.6268854E+4 3.3391282E+1 -3.9402402E+5
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
K2CO3
|
|
K2CO3 + 1.000H+ = 1.000HCO3- + 2.000K+
|
|
log_k 15.735
|
|
delta_h -46.500 #kJ/mol #74nau/ryz
|
|
-analytic -7.2554552E+2 -1.1522314E-1 4.2944444E+4 2.6627093E+2 -2.4243191E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 94pan;
|
|
|
|
K2O
|
|
K2O + 2.000H+ = 2.000K+ + 1.000H2O
|
|
log_k 84.105
|
|
delta_h -426.940 #kJ/mol #98cha
|
|
-analytic -1.2949969E+2 -1.849469E-2 3.0142621E+4 4.9758117E+1 -4.5365715E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
K2SO4.FeSO4:6H2O
|
|
K2Fe(SO4)2:6H2O = 1.000Fe+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O
|
|
log_k -4.612
|
|
delta_h 152.806 #kJ/mol #Internal calculation
|
|
-analytic -3.3166296E+3 -4.9665326E-1 1.749773E+5 1.208945E+3 -1.0510546E+7
|
|
#References = LogK/DGf: 04chr; DHf/DHr: Internal calculation; S°: 78hel/del; V°: Default value;
|
|
|
|
Kainite
|
|
KMgClSO4:3H2O = 1.000Cl- + 1.000K+ + 1.000Mg+2 + 1.000SO4-2 + 3.000H2O
|
|
log_k -0.191
|
|
delta_h -12.950 #kJ/mol #82wag/eva
|
|
-analytic -2.4715831E+3 -3.750269E-1 1.3589053E+5 8.9538701E+2 -7.8359036E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: 95rob/hem;
|
|
|
|
Kalicinite
|
|
KHCO3 = 1.000HCO3- + 1.000K+
|
|
log_k 0.267
|
|
delta_h 20.250 #kJ/mol #74nau/ryz
|
|
-analytic -6.4282447E+2 -1.0327343E-1 3.4628329E+4 2.3515917E+2 -2.1465615E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; Cp: 74nau/ryz; V°: 90rob/cam;
|
|
|
|
Kalsilite(alpha)
|
|
K(AlSi)O4 + 4.000H+ = 1.000Al+3 + 1.000K+ + 1.000H4SiO4
|
|
log_k 11.202
|
|
delta_h -120.371 #kJ/mol #78hel/del
|
|
-analytic -6.0320192E+2 -1.0110047E-1 3.5920601E+4 2.1876915E+2 -1.5343817E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Kalsilite(beta)
|
|
K(AlSi)O4 + 4.000H+ = 1.000Al+3 + 1.000K+ + 1.000H4SiO4
|
|
log_k 10.633
|
|
#delta_h 0.000 #kJ/mol
|
|
-analytic -5.8442108E+2 -9.9203495E-2 3.5030038E+4 2.1219208E+2 -1.5925147E+6
|
|
#References = LogK/DGf: Internal calculation; V°: Default value;
|
|
|
|
Kaolinite
|
|
Al2Si2O5(OH)4 + 6.000H+ = 2.000Al+3 + 2.000H4SiO4 + 1.000H2O
|
|
log_k 6.471
|
|
delta_h -169.718 #kJ/mol #01fia/nav
|
|
-analytic -9.8589763E+2 -1.6937521E-1 5.5087963E+4 3.5699227E+2 -2.2447679E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 01fia/nav; S°: 91rob/hem; Cp: 91rob/hem; V°: 95rob/hem;
|
|
|
|
KatoiteSi1
|
|
Ca3Al2(SiO4)1(OH)8 + 12.000H+ = 2.000Al+3 + 3.000Ca+2 + 1.000H4SiO4 + 8.000H2O
|
|
log_k 71.157
|
|
delta_h -545.767 #kJ/mol #Internal calculation
|
|
-analytic -1.5900906E+3 -2.5746139E-1 1.073972E+5 5.7530205E+2 -4.0668066E+6
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 10bbla/bou;
|
|
|
|
KCl.MgCl2:6H2O
|
|
KMgCl3:6H2O = 3.000Cl- + 1.000K+ + 1.000Mg+2 + 6.000H2O
|
|
log_k 4.388
|
|
#References = LogK/DGf: 93bal/chr;
|
|
#References = LogK/DGf: 93bal/chr; V°: 78hel/del;
|
|
|
|
KH2PO4
|
|
KH2PO4 = 1.000K+ + 1.000H2PO4-
|
|
log_k 0.278
|
|
delta_h 15.960 #kJ/mol #74nau/ryz
|
|
-analytic -6.8356427E+2 -1.1018905E-1 3.6862491E+4 2.4991571E+2 -2.2527827E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; Cp: 74nau/ryz; V°: Default value;
|
|
|
|
Kieserite
|
|
MgSO4:H2O = 1.000Mg+2 + 1.000SO4-2 + 1.000H2O
|
|
log_k -0.120
|
|
delta_h -51.464 #kJ/mol #Internal calculation
|
|
-analytic -1.675392E+3 -2.6430477E-1 9.4859468E+4 6.0553128E+2 -5.5499544E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 63wyc;
|
|
|
|
Kornelite
|
|
Fe2(SO4)3:7H2O = 2.000Fe+3 + 3.000SO4-2 + 7.000H2O
|
|
log_k -7.878
|
|
delta_h 63.133 #kJ/mol #02hem/sea
|
|
-analytic -5.0601867E+3 -7.7002704E-1 2.8197413E+5 1.8248979E+3 -1.5951453E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam;
|
|
|
|
Krausite(Cr)
|
|
KFe(CrO4)2:2H2O = 2.000CrO4-2 + 1.000Fe+3 + 1.000K+ + 2.000H2O
|
|
log_k -19.391
|
|
delta_h 126.422 #kJ/mol #98bar/pal
|
|
-analytic -3.0951955E+3 -5.1208975E-1 1.6928317E+5 1.1232185E+3 -1.0544992E+7
|
|
#References = LogK/DGf: 98bar/pal; DHf/DHr: 98bar/pal; S°: Internal calculation; Cp: 98bar/pal; V°: Default value;
|
|
|
|
Kyanite
|
|
Al2SiO5 + 6.000H+ = 2.000Al+3 + 1.000H4SiO4 + 1.000H2O
|
|
log_k 15.929
|
|
delta_h -242.655 #kJ/mol #Internal calculation
|
|
-analytic -9.485757E+2 -1.6240697E-1 5.8492435E+4 3.4098741E+2 -2.4009295E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
La2O3glass
|
|
La2O3 + 6.000H+ = 2.000La+3 + 3.000H2O
|
|
log_k 78.615
|
|
#References = LogK/DGf: 92plo/wic;
|
|
#References = LogK/DGf: 92plo/wic; V°: Default value;
|
|
|
|
Lanarkite
|
|
Pb2SO5 + 2.000H+ = 2.000Pb+2 + 1.000SO4-2 + 1.000H2O
|
|
log_k 2.630
|
|
delta_h -39.234 #kJ/mol #Internal calculation
|
|
-analytic -1.9604686E+3 -3.0210769E-1 1.1025931E+5 7.0955048E+2 -6.4337692E+6
|
|
#References = LogK/DGf: 74nau/ryz; DHf/DHr: Internal calculation; S°: 74nau/ryz; V°: 74nau/ryz;
|
|
|
|
Lansfordite
|
|
MgCO3:5H2O + 1.000H+ = 1.000HCO3- + 1.000Mg+2 + 5.000H2O
|
|
log_k 5.287
|
|
delta_h -11.810 #kJ/mol #99kon/kon
|
|
-analytic -9.2863008E+2 -1.2359468E-1 4.9906125E+4 3.3602233E+2 -2.4965615E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 99kon/kon; S°: 99kon/kon; V°: 63wyc;
|
|
|
|
Larnite(alpha)
|
|
Ca2SiO4 + 4.000H+ = 2.000Ca+2 + 1.000H4SiO4
|
|
log_k 39.038
|
|
delta_h -240.494 #kJ/mol #95rob/hem
|
|
-analytic -5.3892335E+2 -9.1993849E-2 3.847885E+4 1.982105E+2 -1.25589E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 78hel/del,60kel; Cp: 78hel/del,60kel; V°: 78hel/del,60kel;
|
|
|
|
Larnite(beta)
|
|
Ca2SiO4 + 4.000H+ = 2.000Ca+2 + 1.000H4SiO4
|
|
log_k 39.317
|
|
#delta_h 0.000 #kJ/mol
|
|
-analytic -5.4348923E+2 -9.2133718E-2 3.9158937E+4 1.9957422E+2 -1.3242947E+6
|
|
#References = LogK/DGf: Internal calculation; V°: Default value;
|
|
|
|
Larnite(gamma)
|
|
Ca2SiO4 + 4.000H+ = 2.000Ca+2 + 1.000H4SiO4
|
|
log_k 41.439
|
|
#delta_h 0.000 #kJ/mol
|
|
-analytic -5.187959E+2 -9.0929534E-2 3.8574283E+4 1.9110002E+2 -1.3242947E+6
|
|
#References = LogK/DGf: Internal calculation; V°: Default value;
|
|
|
|
Laumontite
|
|
Ca(Al2Si4)O12:4H2O + 8.000H+ = 2.000Al+3 + 1.000Ca+2 + 4.000H4SiO4
|
|
log_k 11.673
|
|
delta_h -213.577 #kJ/mol #96kis/nav
|
|
-analytic -1.3452439E+3 -2.3274579E-1 7.3108028E+4 4.9030577E+2 -2.8556958E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 96kis/nav; S°: 09bla; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Laurelite
|
|
PbF2 = 2.000F- + 1.000Pb+2
|
|
log_k -7.522
|
|
delta_h 6.530 #kJ/mol #98cha
|
|
-analytic -1.6567833E+3 -2.6527112E-1 9.0348537E+4 6.007234E+2 -5.4339956E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 84pan;
|
|
|
|
Laurionite
|
|
PbClOH + 1.000H+ = 1.000Cl- + 1.000Pb+2 + 1.000H2O
|
|
log_k 0.620
|
|
delta_h 6.285 #kJ/mol #Internal calculation
|
|
-analytic -9.2015889E+2 -1.425926E-1 5.0121058E+4 3.3475251E+2 -2.9457123E+6
|
|
#References = LogK/DGf: 99lot/och; DHf/DHr: Internal calculation; S°: 78ric/nri; V°: 90rob/cam;
|
|
|
|
Laurite
|
|
RuS2 + 0.750H2O = 1.000Ru+2 + 1.500HS- + 0.250S2O3-2
|
|
log_k -70.816
|
|
delta_h -1168.171 #kJ/mol #Internal calculation
|
|
-analytic -1.6080494E+3 -2.6004134E-1 6.8333168E+4 5.8390348E+2 -5.2675697E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
Leonhardtite
|
|
MgSO4:4H2O = 1.000Mg+2 + 1.000SO4-2 + 4.000H2O
|
|
log_k -0.891
|
|
delta_h -24.030 #kJ/mol #74nau/ryz
|
|
-analytic -1.7166655E+3 -2.5173008E-1 9.4720451E+4 6.1946915E+2 -5.3071504E+6
|
|
#References = LogK/DGf: 80har/wea; DHf/DHr: 74nau/ryz; S°: Internal calculation; V°: 95rob/hem;
|
|
|
|
Leonite
|
|
K2Mg(SO4)2:4H2O = 2.000K+ + 1.000Mg+2 + 2.000SO4-2 + 4.000H2O
|
|
log_k -3.981
|
|
delta_h 15.290 #kJ/mol #74nau/ryz
|
|
-analytic -3.2370487E+3 -4.8641433E-1 1.7742068E+5 1.1719169E+3 -1.038381E+7
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; V°: 63wyc;
|
|
|
|
Lepidocrocite
|
|
FeOOH + 3.000H+ = 1.000Fe+3 + 2.000H2O
|
|
log_k 1.847
|
|
delta_h 27.622 #kJ/mol #03maj/gre
|
|
-analytic -4.3383044E+2 -6.9925424E-2 2.5170237E+4 1.5548345E+2 -1.1227055E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 03maj/gre; S°: 03maj/gre; Cp: 03maj/gre; V°: 63wyc;
|
|
|
|
Libenthenite
|
|
Cu2PO4OH + 3.000H+ = 2.000Cu+2 + 1.000H2PO4- + 1.000H2O
|
|
log_k 6.871
|
|
#References = LogK/DGf: 84nri;
|
|
#References = LogK/DGf: 84nri; V°: 63wyc;
|
|
|
|
Lime
|
|
CaO + 2.000H+ = 1.000Ca+2 + 1.000H2O
|
|
log_k 32.699
|
|
delta_h -193.910 #kJ/mol #89cox/wag
|
|
-analytic -2.2981557E+2 -3.8112701E-2 2.1667824E+4 8.4052037E+1 -6.0246011E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Linnaeite
|
|
Co3S4 + 2.000H+ + 0.750H2O = 3.000Co+2 + 3.500HS- + 0.250S2O3-2
|
|
log_k -49.968
|
|
delta_h -3058.828 #kJ/mol #95rob/hem
|
|
-analytic -3.5384953E+3 -5.7069446E-1 1.8185875E+5 1.2839328E+3 -1.1403739E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 87pan/mah; V°: 95rob/hem;
|
|
|
|
Litharge
|
|
PbO + 2.000H+ = 1.000Pb+2 + 1.000H2O
|
|
log_k 12.631
|
|
delta_h -65.501 #kJ/mol #98cha
|
|
-analytic -3.563847E+2 -5.7066663E-2 2.2379673E+4 1.3050539E+2 -1.0630718E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 97asho/sas;
|
|
|
|
Lizardite
|
|
Mg3Si2O5(OH)4 + 6.000H+ = 3.000Mg+2 + 2.000H4SiO4 + 1.000H2O
|
|
log_k 33.081
|
|
delta_h -247.218 #kJ/mol #04eva
|
|
-analytic -1.117212E+3 -1.7478888E-1 6.7935984E+4 4.0603359E+2 -2.680649E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 04eva; S°: 04eva; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Loellingite
|
|
FeAs2 + 2.000H+ + 2.000H2O = 2.000AsH3 + 1.000Fe+2 + 1.000O2
|
|
log_k -119.076
|
|
delta_h -1215.463 #kJ/mol #Internal calculation
|
|
-analytic 1.411125E+2 2.2260988E-2 -4.8195613E+4 -4.7832872E+1 1.1718775E+6
|
|
#References = LogK/DGf: 08per/pok; DHf/DHr: Internal calculation; S°: 08per/pok; Cp: 08per/pok; V°: 08per/pok;
|
|
|
|
Mackinawite
|
|
FeS + 1.000H+ = 1.000Fe+2 + 1.000HS-
|
|
log_k -3.540
|
|
delta_h -879.578 #kJ/mol #Internal calculation
|
|
-analytic -9.7649823E+2 -1.5351376E-1 5.3325403E+4 3.5340009E+2 -3.0749484E+6
|
|
#References = LogK/DGf: 08bla; DHf/DHr: Internal calculation; S°: 08bla; V°: 63wyc;
|
|
|
|
Maghemite(disordered)
|
|
Fe2O3 + 6.000H+ = 2.000Fe+3 + 3.000H2O
|
|
log_k 2.836
|
|
delta_h 50.373 #kJ/mol #03maj/gre
|
|
-analytic -8.8036566E+2 -1.4332938E-1 5.1397964E+4 3.1512919E+2 -2.3308743E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 03maj/gre; S°: 03maj/gre; Cp: 03maj/gre; V°: 63wyc;
|
|
|
|
Magnesiochromite
|
|
MgCr2O4 + 8.000H+ = 2.000Cr+3 + 1.000Mg+2 + 4.000H2O
|
|
log_k 22.175
|
|
delta_h -137.370 #kJ/mol #95rob/hem
|
|
-analytic -1.3008844E+3 -2.0539954E-1 8.2056835E+4 4.6453838E+2 -3.590453E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Magnesioferrite
|
|
MgFe2O4 + 8.000H+ = 2.000Fe+3 + 1.000Mg+2 + 4.000H2O
|
|
log_k 19.251
|
|
delta_h -72.516 #kJ/mol #73bar/kna
|
|
-analytic -1.3050893E+3 -2.030592E-1 8.091508E+4 4.6655307E+2 -3.6413273E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 73bar/kna; S°: 73bar/kna; Cp: 73bar/kna; V°: 73bar/kna;
|
|
|
|
Magnesite(Natur)
|
|
MgCO3 + 1.000H+ = 1.000HCO3- + 1.000Mg+2
|
|
log_k 1.415
|
|
delta_h -38.990 #kJ/mol #99kon/kon
|
|
-analytic -9.3271446E+2 -1.4911657E-1 5.2089668E+4 3.3809675E+2 -2.90857E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 99kon/kon; S°: 99kon/kon; Cp: 95rob/hem; V°: 78hel/del;
|
|
|
|
Magnesite(Synth)
|
|
MgCO3 + 1.000H+ = 1.000HCO3- + 1.000Mg+2
|
|
log_k 2.227
|
|
delta_h -43.630 #kJ/mol #95rob/hem
|
|
-analytic -9.3271499E+2 -1.4911657E-1 5.2332032E+4 3.3809675E+2 -2.90857E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del;
|
|
|
|
Magnetite
|
|
Fe3O4 + 8.000H+ = 2.000Fe+3 + 1.000Fe+2 + 4.000H2O
|
|
log_k 10.356
|
|
delta_h -17.831 #kJ/mol #90hem
|
|
-analytic -1.1631852E+3 -1.8861061E-1 6.9308057E+4 4.1714384E+2 -3.1005717E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 90hem; S°: 90hem; Cp: 90hem; V°: 78hel/del;
|
|
|
|
Magnetite(am)
|
|
Fe3O4 + 8.000H+ = 2.000Fe+3 + 1.000Fe+2 + 4.000H2O
|
|
log_k 14.589
|
|
delta_h -41.989 #kJ/mol #Internal calculation
|
|
-analytic -1.1631852E+3 -1.8861061E-1 7.0569905E+4 4.1714384E+2 -3.1005717E+6
|
|
#References = LogK/DGf: 98bre/lin; DHf/DHr: Internal calculation; S°: 90hem; Cp: 90hem; V°: 78hel/del;
|
|
|
|
Malachite
|
|
Cu2(OH)2(CO3) + 3.000H+ = 1.000HCO3- + 2.000Cu+2 + 2.000H2O
|
|
log_k 5.169
|
|
delta_h -65.926 #kJ/mol #Internal calculation
|
|
-analytic -1.2433609E+3 -1.9656033E-1 6.8823291E+4 4.514828E+2 -3.6325842E+6
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 78hel/del;
|
|
|
|
Manganosite
|
|
MnO + 2.000H+ = 1.000Mn+2 + 1.000H2O
|
|
log_k 18.356
|
|
delta_h -121.934 #kJ/mol #Internal calculation
|
|
-analytic -3.0659429E+2 -4.7374303E-2 2.2223817E+4 1.1078223E+2 -8.5224618E+5
|
|
#References = LogK/DGf: 78hel/del,82wag/eva; DHf/DHr: Internal calculation; S°: 78hel/del,82wag/eva; Cp: 78hel/del,82wag/eva; V°: 78hel/del,82wag/eva;
|
|
|
|
Mansfieldite
|
|
AlAsO4:2H2O + 2.000H+ = 1.000Al+3 + 1.000H2AsO4- + 2.000H2O
|
|
log_k -2.741
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
Marcassite
|
|
FeS2 + 0.750H2O = 1.000Fe+2 + 1.500HS- + 0.250S2O3-2
|
|
log_k -22.861
|
|
delta_h -1413.782 #kJ/mol #76gro/wes
|
|
-analytic -1.6065259E+3 -2.5998313E-1 8.2303131E+4 5.8363906E+2 -5.2486093E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 76gro/wes; S°: 76gro/wes; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Margarite
|
|
CaAl2(Al2Si2)O10(OH)2 + 14.000H+ = 4.000Al+3 + 1.000Ca+2 + 2.000H4SiO4 + 4.000H2O
|
|
log_k 36.984
|
|
delta_h -518.308 #kJ/mol #95rob/hem
|
|
-analytic -2.1229088E+3 -3.5998623E-1 1.3002189E+5 7.6440042E+2 -5.3630992E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Massicot
|
|
PbO + 2.000H+ = 1.000Pb+2 + 1.000H2O
|
|
log_k 12.742
|
|
delta_h -66.848 #kJ/mol #98cha
|
|
-analytic -3.4244788E+2 -5.404025E-2 2.1867688E+4 1.2514125E+2 -1.0396973E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 97asho/sas;
|
|
|
|
Melanterite
|
|
FeSO4:7H2O = 1.000Fe+2 + 1.000SO4-2 + 7.000H2O
|
|
log_k -2.321
|
|
delta_h 12.450 #kJ/mol #95par/kho
|
|
-analytic -1.6552153E+3 -2.3204983E-1 8.905843E+4 5.9755167E+2 -4.9092281E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95par/kho; S°: 95par/kho; V°: 95rob/hem;
|
|
|
|
Mercallite
|
|
KHSO4 = 1.000K+ + 1.000SO4-2 + 1.000H+
|
|
log_k -1.400
|
|
delta_h -0.590 #kJ/mol #74nau/ryz
|
|
-analytic -1.3844563E+3 -2.2459138E-1 7.7602064E+4 5.0277535E+2 -4.8309273E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; Cp: 74nau/ryz; V°: 63wyc;
|
|
|
|
Merlinoite(K)
|
|
K1.04Al1.04Si1.96O6:1.69H2O + 4.160H+ + 0.150H2O = 1.040Al+3 + 1.040K+ + 1.960H4SiO4
|
|
log_k 9.474
|
|
delta_h -105.628 #kJ/mol #09bla
|
|
-analytic -6.5093001E+2 -1.0679723E-1 3.6895381E+4 2.3667889E+2 -1.524412E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 09bla; V°: 97coo/alb;
|
|
|
|
Merlinoite(Na)
|
|
Na1.04Al1.04Si1.96O6:2.27H2O + 4.160H+ = 1.040Al+3 + 1.040Na+ + 1.960H4SiO4 + 0.430H2O
|
|
log_k 10.290
|
|
delta_h -115.307 #kJ/mol #09bla
|
|
-analytic -6.9150391E+2 -1.1117277E-1 3.9599453E+4 2.5078389E+2 -1.6379226E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 09bla; V°: 97coo/alb;
|
|
|
|
Merwinite
|
|
Ca3Mg(SiO4)2 + 8.000H+ = 3.000Ca+2 + 1.000Mg+2 + 2.000H4SiO4
|
|
log_k 69.275
|
|
delta_h -454.214 #kJ/mol #Internal calculation
|
|
-analytic -1.2658462E+3 -2.0682686E-1 8.6359915E+4 4.6180063E+2 -3.161213E+6
|
|
#References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh;
|
|
|
|
Metacinnabar
|
|
HgS + 0.375H2O = 0.500Hg2+2 + 0.750HS- + 0.125S2O3-2
|
|
log_k -26.849
|
|
delta_h -665.454 #kJ/mol #Internal calculation
|
|
-analytic -7.4895143E+2 -1.2091262E-1 3.3202511E+4 2.7243241E+2 -2.4290831E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Mg(element)
|
|
Mg + 0.500O2 + 2.000H+ = 1.000Mg+2 + 1.000H2O
|
|
log_k 122.773
|
|
delta_h -746.763 #kJ/mol #89cox/wag
|
|
-analytic -4.08313E+2 -6.2313851E-2 6.1313219E+4 1.4516509E+2 -1.3496343E+6
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Mg3(PO4)2:22H2O
|
|
Mg3(PO4)2:22H2O + 4.000H+ = 3.000Mg+2 + 2.000H2PO4- + 22.000H2O
|
|
log_k 15.993
|
|
#References = LogK/DGf: 63tay/fra;
|
|
#References = LogK/DGf: 63tay/fra; V°: 63wyc;
|
|
|
|
MgCl2.FeCl2:8H2O
|
|
MgFeCl4:8H2O = 4.000Cl- + 1.000Fe+2 + 1.000Mg+2 + 8.000H2O
|
|
log_k 8.587
|
|
#References = LogK/DGf: 04chr;
|
|
#References = LogK/DGf: 04chr; V°: Default value;
|
|
|
|
MgHPO4
|
|
MgHPO4 + 1.000H+ = 1.000Mg+2 + 1.000H2PO4-
|
|
log_k -5.815
|
|
#References = LogK/DGf: 70web/rac;
|
|
#References = LogK/DGf: 70web/rac; V°: Default value;
|
|
|
|
MgSO4
|
|
MgSO4 = 1.000Mg+2 + 1.000SO4-2
|
|
log_k 9.104
|
|
delta_h -114.550 #kJ/mol #98cha
|
|
-analytic -1.6958776E+3 -2.6892365E-1 9.92454E+4 6.1255125E+2 -5.6382589E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 94pan;
|
|
|
|
Microcline
|
|
K(AlSi3)O8 + 4.000H+ + 4.000H2O = 1.000Al+3 + 1.000K+ + 3.000H4SiO4
|
|
log_k 0.004
|
|
delta_h -56.203 #kJ/mol #95rob/hem
|
|
-analytic -7.3677713E+2 -1.2898219E-1 3.6861528E+4 2.703714E+2 -1.547971E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Mimetite
|
|
Pb5(AsO4)3Cl + 6.000H+ = 3.000H2AsO4- + 1.000Cl- + 5.000Pb+2
|
|
log_k -19.800
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
Minium
|
|
Pb3O4 + 6.000H+ = 3.000Pb+2 + 0.500O2 + 3.000H2O
|
|
log_k 30.530
|
|
delta_h -142.109 #kJ/mol #98cha
|
|
-analytic -7.3831714E+2 -1.1326585E-1 4.6892371E+4 2.7062221E+2 -2.1599093E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 82pan;
|
|
|
|
Minnesotaite
|
|
Fe3Si4O10(OH)2 + 6.000H+ + 4.000H2O = 3.000Fe+2 + 4.000H4SiO4
|
|
log_k 14.924
|
|
delta_h -148.467 #kJ/mol #83miy/kle
|
|
-analytic -1.1632242E+3 -1.9560839E-1 6.2685869E+4 4.2632471E+2 -2.550644E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 83miy/kle; S°: 83miy/kle; Cp: 83miy/kle; V°: 83miy/kle;
|
|
|
|
Mirabilite
|
|
Na2SO4:10H2O = 2.000Na+ + 1.000SO4-2 + 10.000H2O
|
|
log_k -1.233
|
|
delta_h 79.471 #kJ/mol #Internal calculation
|
|
-analytic -1.3776661E+3 -1.9982533E-1 7.3063678E+4 5.0163355E+2 -4.4718258E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 74nau/ryz; V°: 63wyc;
|
|
|
|
Mn3(PO4)2
|
|
Mn3(PO4)2 + 4.000H+ = 3.000Mn+2 + 2.000H2PO4-
|
|
log_k 0.817
|
|
#References = LogK/DGf: 76plu/jon;
|
|
#References = LogK/DGf: 76plu/jon; V°: Default value;
|
|
|
|
MnHPO4
|
|
MnHPO4 + 1.000H+ = 1.000Mn+2 + 1.000H2PO4-
|
|
log_k -4.119
|
|
#References = LogK/DGf: 69wag/eva;
|
|
#References = LogK/DGf: 69wag/eva; V°: Default value;
|
|
|
|
Monetite
|
|
CaHPO4 + 1.000H+ = 1.000Ca+2 + 1.000H2PO4-
|
|
log_k 0.300
|
|
delta_h -24.098 #kJ/mol #Internal calculation
|
|
-analytic -8.7069886E+2 -1.4527619E-1 4.7592739E+4 3.1728734E+2 -2.7042006E+6
|
|
#References = LogK/DGf: 84nan; DHf/DHr: Internal calculation; S°: 84nan; Cp: 70gre/mor, after 64a,bega/wak; V°: 84nri;
|
|
|
|
Monocarboaluminate
|
|
Ca4Al2CO9:10.68H2O + 13.000H+ = 2.000Al+3 + 1.000HCO3- + 4.000Ca+2 + 16.680H2O
|
|
log_k 80.545
|
|
delta_h -530.628 #kJ/mol #61ber/new
|
|
-analytic -2.3817751E+3 -3.6967084E-1 1.5167004E+5 8.6445012E+2 -6.6840807E+6
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: 61ber/new; S°: Internal calculation; Cp: 10bbla/bou; V°: 97tay;
|
|
|
|
Monohydrocalcite
|
|
CaCO3:H2O + 1.000H+ = 1.000HCO3- + 1.000Ca+2 + 1.000H2O
|
|
log_k 2.727
|
|
delta_h -20.470 #kJ/mol #73hul/tur
|
|
-analytic -8.8143561E+2 -1.3428792E-1 4.8239049E+4 3.2006788E+2 -2.6295945E+6
|
|
#References = LogK/DGf: 73hul/tur; DHf/DHr: 73hul/tur; S°: Internal calculation; V°: 95rob/hem;
|
|
|
|
Monosulfate(Fe)
|
|
Ca4Fe2SO10:12H2O + 12.000H+ = 4.000Ca+2 + 2.000Fe+3 + 1.000SO4-2 + 18.000H2O
|
|
log_k 66.044
|
|
delta_h -279.843 #kJ/mol #Internal calculation
|
|
-analytic -3.0676685E+3 -4.7986154E-1 1.8792596E+5 1.1113267E+3 -9.1941407E+6
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 97tay;
|
|
|
|
Monosulfoaluminate
|
|
Ca4Al2SO10:12H2O + 12.000H+ = 2.000Al+3 + 4.000Ca+2 + 1.000SO4-2 + 18.000H2O
|
|
log_k 73.064
|
|
delta_h -539.403 #kJ/mol #10bbla/bou
|
|
-analytic -3.1633795E+3 -5.130326E-1 1.93277E+5 1.1496646E+3 -9.2111182E+6
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: 10bbla/bou; S°: Internal calculation; Cp: 79ede/sat; V°: 97tay;
|
|
|
|
Monteponite
|
|
CdO + 2.000H+ = 1.000Cd+2 + 1.000H2O
|
|
log_k 15.103
|
|
delta_h -103.400 #kJ/mol #89cox/wag
|
|
-analytic -2.8999212E+2 -4.4122592E-2 2.0465536E+4 1.0456389E+2 -8.1139219E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 77bar/kna; V°: 95rob/hem;
|
|
|
|
Monticellite
|
|
CaMgSiO4 + 4.000H+ = 1.000Ca+2 + 1.000Mg+2 + 1.000H4SiO4
|
|
log_k 30.086
|
|
delta_h -208.370 #kJ/mol #Internal calculation
|
|
-analytic -6.6777556E+2 -1.0740318E-1 4.4094085E+4 2.4286258E+2 -1.6850827E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Montmorillonite(HcCa)
|
|
Ca0.3Mg0.6Al1.4Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.400Al+3 + 0.300Ca+2 + 0.600Mg+2 + 4.000H4SiO4
|
|
log_k 6.886
|
|
delta_h -163.897 #kJ/mol #15bla/vie
|
|
-analytic -1.1987196E+3 -1.994055E-1 6.5477183E+4 4.3491916E+2 -2.731862E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Montmorillonite(HcK)
|
|
K0.6Mg0.6Al1.4Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.400Al+3 + 0.600K+ + 0.600Mg+2 + 4.000H4SiO4
|
|
log_k 4.433
|
|
delta_h -128.961 #kJ/mol #15bla/vie
|
|
-analytic -1.1640022E+3 -1.9321886E-1 6.2206019E+4 4.2325721E+2 -2.6596285E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Montmorillonite(HcMg)
|
|
Mg0.3Mg0.6Al1.4Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.400Al+3 + 0.900Mg+2 + 4.000H4SiO4
|
|
log_k 5.980
|
|
delta_h -166.297 #kJ/mol #15bla/vie
|
|
-analytic -1.2259604E+3 -2.0260769E-1 6.7058294E+4 4.4417262E+2 -2.8128793E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Montmorillonite(HcNa)
|
|
Na0.6Mg0.6Al1.4Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.400Al+3 + 0.600Mg+2 + 0.600Na+ + 4.000H4SiO4
|
|
log_k 5.455
|
|
delta_h -144.991 #kJ/mol #15bla/vie
|
|
-analytic -1.1995138E+3 -1.9693447E-1 6.4864744E+4 4.3526999E+2 -2.7485531E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Montmorillonite(MgCa)
|
|
Ca0.17Mg0.34Al1.66Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.660Al+3 + 0.170Ca+2 + 0.340Mg+2 + 4.000H4SiO4
|
|
log_k 4.206
|
|
delta_h -156.001 #kJ/mol #15bla/vie
|
|
-analytic -1.1681531E+3 -1.9703009E-1 6.3091915E+4 4.2391799E+2 -2.6192696E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Montmorillonite(MgK)
|
|
K0.34Mg0.34Al1.66Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.660Al+3 + 0.340K+ + 0.340Mg+2 + 4.000H4SiO4
|
|
log_k 2.814
|
|
delta_h -136.199 #kJ/mol #15bla/vie
|
|
-analytic -1.1789485E+3 -1.9748246E-1 6.3047518E+4 4.2815749E+2 -2.690647E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Montmorillonite(MgMg)
|
|
Mg0.17Mg0.34Al1.66Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.660Al+3 + 0.510Mg+2 + 4.000H4SiO4
|
|
log_k 3.692
|
|
delta_h -157.361 #kJ/mol #15bla/vie
|
|
-analytic -1.2140639E+3 -2.0280334E-1 6.5797701E+4 4.4001162E+2 -2.7774984E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Montmorillonite(MgNa)
|
|
Na0.34Mg0.34Al1.66Si4O10(OH)2 + 6.000H+ + 4.000H2O = 1.660Al+3 + 0.340Mg+2 + 0.340Na+ + 4.000H4SiO4
|
|
log_k 3.394
|
|
delta_h -145.287 #kJ/mol #15bla/vie
|
|
-analytic -1.1990748E+3 -1.9958851E-1 6.4554512E+4 4.3496584E+2 -2.7410469E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Moorhouseite
|
|
CoSO4:6H2O = 1.000Co+2 + 1.000SO4-2 + 6.000H2O
|
|
log_k -2.200
|
|
delta_h 1.570 #kJ/mol #74nau/ryz
|
|
-analytic -1.6642975E+3 -2.3740234E-1 9.0199421E+4 6.0079534E+2 -5.0029128E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 74nau/ryz; V°: 94pan;
|
|
|
|
MordeniteB(Ca)
|
|
Ca0.515Al1.03Si4.97O12:3.1H2O + 4.120H+ + 4.780H2O = 1.030Al+3 + 0.515Ca+2 + 4.970H4SiO4
|
|
log_k -2.918
|
|
delta_h -67.875 #kJ/mol #09bla
|
|
-analytic -8.7298564E+2 -1.4943245E-1 4.2359887E+4 3.1948275E+2 -1.5995946E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 09bla; S°: 09bla; Cp: 10vie; V°: 95rob/hem;
|
|
|
|
MordeniteJ
|
|
Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O + 3.760H+ + 4.772H2O = 0.940Al+3 + 0.289Ca+2 + 0.362Na+ + 5.060H4SiO4
|
|
log_k -4.181
|
|
delta_h -41.249 #kJ/mol #92joh/tas
|
|
-analytic -7.9185479E+2 -1.432055E-1 3.5546154E+4 2.9294945E+2 -1.2210443E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 92joh/tas; S°: 92joh/tas; Cp: 92joh/tas; V°: 92joh/tas;
|
|
|
|
Mullite
|
|
Al6Si2O13 + 18.000H+ = 6.000Al+3 + 2.000H4SiO4 + 5.000H2O
|
|
log_k 50.493
|
|
delta_h -762.738 #kJ/mol #95rob/hem
|
|
-analytic -2.7906089E+3 -4.7256381E-1 1.7601823E+5 9.9958525E+2 -7.269678E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Muscovite(disordered)
|
|
KAl2(AlSi3)O10(OH)2 + 10.000H+ = 3.000Al+3 + 1.000K+ + 3.000H4SiO4
|
|
log_k 14.000
|
|
delta_h -276.123 #kJ/mol #95has/cyg
|
|
-analytic -1.5948808E+3 -2.7315468E-1 9.0610119E+4 5.7769416E+2 -3.8271104E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95has/cyg; S°: 76rob/hem; Cp: 76rob/hem; V°: 95rob/hem;
|
|
|
|
Muscovite(ordered)
|
|
KAl2(AlSi3)O10(OH)2 + 10.000H+ = 3.000Al+3 + 1.000K+ + 3.000H4SiO4
|
|
log_k 11.337
|
|
delta_h -260.923 #kJ/mol #06bla/pia
|
|
-analytic -1.5948808E+3 -2.7315468E-1 8.9816169E+4 5.7769416E+2 -3.8271104E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 06bla/pia; S°: 76rob/hem; Cp: 76rob/hem; V°: 95rob/hem;
|
|
|
|
Na(element)
|
|
Na + 0.250O2 + 1.000H+ = 1.000Na+ + 0.500H2O
|
|
log_k 67.389
|
|
delta_h -380.222 #kJ/mol #By convention
|
|
-analytic -1.6166581E+2 -2.1496048E-2 2.9333667E+4 5.802293E+1 -5.7739696E+5
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Na2CO3
|
|
Na2CO3 + 1.000H+ = 1.000HCO3- + 2.000Na+
|
|
log_k 11.449
|
|
delta_h -41.410 #kJ/mol #95rob/hem
|
|
-analytic -8.4894412E+2 -1.2888968E-1 4.9145083E+4 3.0909826E+2 -2.7428307E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Na2CO3:7H2O
|
|
Na2CO3:7H2O + 1.000H+ = 1.000HCO3- + 2.000Na+ + 7.000H2O
|
|
log_k 9.865
|
|
delta_h 27.981 #kJ/mol #Internal calculation
|
|
-analytic -9.4556051E+2 -1.1189443E-1 4.9158689E+4 3.4382997E+2 -2.3892135E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value;
|
|
|
|
Na2HPO4
|
|
Na2HPO4 + 1.000H+ = 2.000Na+ + 1.000H2PO4-
|
|
log_k 9.240
|
|
delta_h -35.180 #kJ/mol #82wag/eva
|
|
-analytic -8.4129375E+2 -1.2884853E-1 4.8346931E+4 3.0612801E+2 -2.7290688E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 67and/cou; Cp: 67and/cou; V°: 84nri;
|
|
|
|
Na2O
|
|
Na2O + 2.000H+ = 2.000Na+ + 1.000H2O
|
|
log_k 67.457
|
|
delta_h -351.710 #kJ/mol #95rob/hem
|
|
-analytic -2.4603552E+2 -3.0789283E-2 3.2197702E+4 9.0081382E+1 -7.3070451E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Na2SO4.FeSO4:4H2O
|
|
Na2Fe(SO4)2:4H2O = 1.000Fe+2 + 2.000Na+ + 2.000SO4-2 + 4.000H2O
|
|
log_k -3.211
|
|
#References = LogK/DGf: 04chr;
|
|
#References = LogK/DGf: 04chr; V°: Default value;
|
|
|
|
Na3PO4
|
|
Na3PO4 + 2.000H+ = 3.000Na+ + 1.000H2PO4-
|
|
log_k 23.521
|
|
delta_h -106.220 #kJ/mol #74nau/ryz
|
|
-analytic -1.0220022E+3 -1.5431706E-1 6.20248E+4 3.7196974E+2 -3.2813874E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 67and/cou; Cp: 67and/cou; V°: Default value;
|
|
|
|
NaFeS2
|
|
NaFeS2 + 0.875H+ + 0.500H2O = 1.000Fe+2 + 1.000Na+ + 1.875HS- + 0.125SO4-2
|
|
log_k -1.228
|
|
delta_h -1642.504 #kJ/mol #14las/pia
|
|
-analytic -1.8526615E+3 -2.9429281E-1 1.0215613E+5 6.7264478E+2 -6.0333541E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 14las/pia; S°: 14las/pia; Cp: 14las/pia; V°: Default value;
|
|
|
|
NaH2PO4
|
|
NaH2PO4 = 1.000Na+ + 1.000H2PO4-
|
|
log_k 2.301
|
|
delta_h -6.140 #kJ/mol #82wag/eva
|
|
-analytic -7.392466E+2 -1.1613447E-1 4.0935684E+4 2.6908589E+2 -2.3967257E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 67and/cou; Cp: 67and/cou; V°: Default value;
|
|
|
|
Nahcolite
|
|
NaHCO3 = 1.000HCO3- + 1.000Na+
|
|
log_k -0.413
|
|
delta_h 18.730 #kJ/mol #82van
|
|
-analytic -7.113399E+2 -1.1020638E-1 3.8282295E+4 2.5918806E+2 -2.3075365E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 82van; S°: Internal calculation; Cp: 74nau/ryz; V°: 95rob/hem;
|
|
|
|
Natrolite
|
|
Na2(Al2Si3)O10:2H2O + 8.000H+ = 2.000Al+3 + 2.000Na+ + 3.000H4SiO4
|
|
log_k 19.310
|
|
delta_h -222.463 #kJ/mol #83joh/flo
|
|
-analytic -1.3669751E+3 -2.2420689E-1 7.7495689E+4 4.9677472E+2 -3.2024942E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 83joh/flo; S°: 83joh/flo; Cp: 83joh/flo; V°: 95rob/hem;
|
|
|
|
Natron
|
|
Na2CO3:10H2O + 1.000H+ = 1.000HCO3- + 2.000Na+ + 10.000H2O
|
|
log_k 9.494
|
|
delta_h 50.170 #kJ/mol #Internal calculation
|
|
-analytic -7.6609055E+2 -1.0254428E-1 3.9588496E+4 2.8214483E+2 -2.2020231E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: Default value;
|
|
|
|
Nepheline
|
|
Na(AlSi)O4 + 4.000H+ = 1.000Al+3 + 1.000Na+ + 1.000H4SiO4
|
|
log_k 14.072
|
|
delta_h -146.839 #kJ/mol #Internal calculation
|
|
-analytic -6.5397549E+2 -1.0651874E-1 3.9974922E+4 2.3621216E+2 -1.6678377E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Nesquehonite(alpha)
|
|
MgCO3:3H2O + 1.000H+ = 1.000HCO3- + 1.000Mg+2 + 3.000H2O
|
|
log_k 5.230
|
|
delta_h -37.120 #kJ/mol #73rob/hem
|
|
-analytic -3.0437984E+3 -5.5905341E-1 1.4745539E+5 1.1325992E+3 -7.2359451E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 73rob/hem; S°: 72rob/hem; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Nesquehonite(beta)
|
|
MgCO3:3H2O + 1.000H+ = 1.000HCO3- + 1.000Mg+2 + 3.000H2O
|
|
log_k 5.234
|
|
#delta_h 0.000 #kJ/mol
|
|
-analytic -8.9925534E+2 -1.4295598E-1 4.9951389E+4 3.2742572E+2 -2.7218608E+6
|
|
#References = LogK/DGf: Internal calculation; V°: Default value;
|
|
|
|
Newberyite
|
|
MgHPO4:3H2O + 1.000H+ = 1.000Mg+2 + 1.000H2PO4- + 3.000H2O
|
|
log_k 1.409
|
|
#References = LogK/DGf: 01wen/mus;
|
|
#References = LogK/DGf: 01wen/mus; V°: 84nri;
|
|
|
|
Ni(alpha)
|
|
Ni + 0.500O2 + 2.000H+ = 1.000Ni+2 + 1.000H2O
|
|
log_k 50.943
|
|
delta_h -339.263 #kJ/mol #By convention
|
|
-analytic -4.1473001E+2 -6.4641772E-2 4.0484895E+4 1.4748648E+2 -1.4033541E+6
|
|
#References = LogK/DGf: Internal calculation; S°: 78hel/del; Cp: 98cha; V°: 78hel/del;
|
|
|
|
Ni(OH)2
|
|
Ni(OH)2 + 2.000H+ = 1.000Ni+2 + 2.000H2O
|
|
log_k 11.669
|
|
delta_h -82.100 #kJ/mol #10pal/gam
|
|
-analytic -2.8702469E+2 -4.4717475E-2 1.9465037E+4 1.0360242E+2 -8.5488125E+5
|
|
#References = LogK/DGf: 10pal/gam; DHf/DHr: 10pal/gam; S°: Internal calculation; Cp: 10pal/gam; V°: 04roi;
|
|
|
|
Ni11As8
|
|
Ni11As8 + 22.000H+ + 1.000H2O = 11.000Ni+2 + 8.000AsH3 + 0.500O2
|
|
log_k -220.274
|
|
delta_h -6714.795 #kJ/mol #05gam/bug
|
|
-analytic -2.4255831E+3 -3.8274391E-1 6.7141507E+4 8.7082278E+2 -5.3836935E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: Default value;
|
|
|
|
Ni2SiO4
|
|
Ni2SiO4 + 4.000H+ = 2.000Ni+2 + 1.000H4SiO4
|
|
log_k 19.539
|
|
delta_h -184.194 #kJ/mol #05gam/bug
|
|
-analytic -6.9873606E+2 -1.1255584E-1 4.4446169E+4 2.518723E+2 -1.8206855E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi;
|
|
|
|
Ni3(AsO3)2
|
|
Ni3(AsO3)2 + 4.000H+ = 2.000H2AsO3- + 3.000Ni+2
|
|
log_k 9.884
|
|
#References = LogK/DGf: 05gam/bug;
|
|
#References = LogK/DGf: 05gam/bug; V°: Default value;
|
|
|
|
Ni3(AsO4)2:8H2O
|
|
Ni3(AsO4)2:8H2O + 4.000H+ = 2.000H2AsO4- + 3.000Ni+2 + 8.000H2O
|
|
log_k 8.469
|
|
delta_h -105.439 #kJ/mol #05gam/bug
|
|
-analytic -2.2446255E+3 -3.1866456E-1 1.2358522E+5 8.0957576E+2 -6.1910121E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value;
|
|
|
|
Ni3S2
|
|
Ni3S2 + 0.500O2 + 4.000H+ = 3.000Ni+2 + 2.000HS- + 1.000H2O
|
|
log_k 25.555
|
|
delta_h -2011.209 #kJ/mol #05gam/bug
|
|
-analytic -2.3504102E+3 -3.7511244E-1 1.4187564E+5 8.4774022E+2 -7.6205178E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi;
|
|
|
|
Ni5As2
|
|
Ni5As2 + 1.000O2 + 10.000H+ = 5.000Ni+2 + 2.000AsH3 + 2.000H2O
|
|
log_k 49.270
|
|
delta_h -2383.191 #kJ/mol #05gam/bug
|
|
-analytic -1.5496486E+3 -2.4367911E-1 1.0569359E+5 5.5318165E+2 -4.5992316E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: Default value;
|
|
|
|
Ni9S8
|
|
Ni9S8 + 0.94444O2 + 10.000H+ = 9.000Ni+2 + 7.55556HS- + 0.22222S2O3-2 + 1.22222H2O
|
|
log_k -1.648
|
|
delta_h -7135.846 #kJ/mol #05gam/bug
|
|
-analytic -8.3823657E+3 -1.3426882E+0 4.7476695E+5 3.028456E+3 -2.7117226E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: Default value;
|
|
|
|
NiAs
|
|
NiAs + 2.000H+ + 0.500H2O = 1.000Ni+2 + 1.000AsH3 + 0.250O2
|
|
log_k -42.628
|
|
delta_h -734.181 #kJ/mol #05gam/bug
|
|
-analytic -1.4944256E+2 -2.3326378E-2 -5.4186675E+3 5.407394E+1 -1.6526547E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi;
|
|
|
|
NiCl2
|
|
NiCl2 = 2.000Cl- + 1.000Ni+2
|
|
log_k 8.596
|
|
delta_h -88.760 #kJ/mol #05gam/bug
|
|
-analytic -1.5673252E+3 -2.5504315E-1 9.0038911E+4 5.6886531E+2 -5.1247117E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi;
|
|
|
|
NiCl2:2H2O
|
|
NiCl2:2H2O = 2.000Cl- + 1.000Ni+2 + 2.000H2O
|
|
log_k 4.854
|
|
delta_h -51.950 #kJ/mol #05gam/bug
|
|
-analytic -1.5470522E+3 -2.526637E-1 8.7238394E+4 5.6248998E+2 -5.0852286E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: Default value;
|
|
|
|
NiCl2:4H2O
|
|
NiCl2:4H2O = 2.000Cl- + 1.000Ni+2 + 4.000H2O
|
|
log_k 3.752
|
|
delta_h -22.930 #kJ/mol #05gam/bug
|
|
-analytic -1.6345803E+3 -2.4643027E-1 8.9410607E+4 5.9315464E+2 -4.960435E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value;
|
|
|
|
NiCl2:6H2O
|
|
NiCl2:6H2O = 2.000Cl- + 1.000Ni+2 + 6.000H2O
|
|
log_k 2.973
|
|
delta_h -3.940 #kJ/mol #05gam/bug
|
|
-analytic -1.6430787E+3 -2.4019684E-1 8.8524833E+4 5.9615668E+2 -4.8356414E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; V°: Default value;
|
|
|
|
NiCO3
|
|
NiCO3 + 1.000H+ = 1.000HCO3- + 1.000Ni+2
|
|
log_k -0.736
|
|
delta_h -36.110 #kJ/mol #05gam/bug
|
|
-analytic -9.0950143E+2 -1.4698566E-1 5.0789886E+4 3.2922265E+2 -2.8802076E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi;
|
|
|
|
NiF2
|
|
NiF2 = 2.000F- + 1.000Ni+2
|
|
log_k -0.251
|
|
delta_h -72.900 #kJ/mol #05gam/bug
|
|
-analytic -1.6994674E+3 -2.7223057E-1 9.5943543E+4 6.1436795E+2 -5.4783313E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi;
|
|
|
|
NiFe2O4
|
|
NiFe2O4 + 8.000H+ = 2.000Fe+3 + 1.000Ni+2 + 4.000H2O
|
|
log_k 10.775
|
|
delta_h -32.557 #kJ/mol #95rob/hem
|
|
-analytic -1.2929494E+3 -2.0482446E-1 7.7838533E+4 4.6240384E+2 -3.5972475E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 04roi;
|
|
|
|
NiS(alpha)
|
|
NiS + 1.000H+ = 1.000Ni+2 + 1.000HS-
|
|
log_k -9.577
|
|
delta_h -856.473 #kJ/mol #05gam/bug
|
|
-analytic -9.6861471E+2 -1.5550177E-1 5.1788758E+4 3.502687E+2 -3.1127422E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi;
|
|
|
|
NiS2
|
|
NiS2 + 0.750H2O = 1.000Ni+2 + 1.500HS- + 0.250S2O3-2
|
|
log_k -25.240
|
|
delta_h -1421.882 #kJ/mol #05gam/bug
|
|
-analytic -1.6261379E+3 -2.6362351E-1 8.3925229E+4 5.8937261E+2 -5.3650359E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: Default value;
|
|
|
|
NiSO4
|
|
NiSO4 = 1.000Ni+2 + 1.000SO4-2
|
|
log_k 4.675
|
|
delta_h -95.560 #kJ/mol #05gam/bug
|
|
-analytic -1.6659996E+3 -2.682593E-1 9.6195258E+4 6.0221288E+2 -5.5221017E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi;
|
|
|
|
NiSO4:6H2O
|
|
NiSO4:6H2O = 1.000Ni+2 + 1.000SO4-2 + 6.000H2O
|
|
log_k -2.324
|
|
#delta_h 0.000 #kJ/mol #05gam/bug
|
|
-analytic -1.5559677E+3 -2.3857695E-1 8.565653E+4 5.6347689E+2 -5.0495434E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi;
|
|
|
|
NiSO4:7H2O
|
|
NiSO4:7H2O = 1.000Ni+2 + 1.000SO4-2 + 7.000H2O
|
|
log_k -2.340
|
|
delta_h 7.680 #kJ/mol #05gam/bug
|
|
-analytic -1.5364265E+3 -2.3369079E-1 8.4172504E+4 5.5657337E+2 -4.9566292E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05gam/bug; S°: 05gam/bug; Cp: 05gam/bug; V°: 04roi;
|
|
|
|
Nontronite(Ca)
|
|
Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.670Al+3 + 0.170Ca+2 + 1.670Fe+3 + 3.660H4SiO4
|
|
log_k -2.823
|
|
delta_h 19.205 #kJ/mol #15bla/vie
|
|
-analytic -1.3317176E+3 -2.2163408E-1 7.0818391E+4 4.8167577E+2 -3.0603286E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Nontronite(K)
|
|
K0.34Fe1.67Al0.67Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.670Al+3 + 1.670Fe+3 + 0.340K+ + 3.660H4SiO4
|
|
log_k -3.993
|
|
delta_h 37.737 #kJ/mol #15bla/vie
|
|
-analytic -1.3151921E+3 -2.1853713E-1 6.9217702E+4 4.7618789E+2 -3.0309959E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Nontronite(Mg)
|
|
Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.670Al+3 + 1.670Fe+3 + 0.170Mg+2 + 3.660H4SiO4
|
|
log_k -3.369
|
|
delta_h 18.025 #kJ/mol #15bla/vie
|
|
-analytic -1.3483125E+3 -2.2359928E-1 7.177371E+4 4.8733175E+2 -3.1105062E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Nontronite(Na)
|
|
Na0.34Fe1.67Al0.67Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.670Al+3 + 1.670Fe+3 + 0.340Na+ + 3.660H4SiO4
|
|
log_k -3.494
|
|
delta_h 29.119 #kJ/mol #15bla/vie
|
|
-analytic -1.3348437E+3 -2.2058158E-1 7.0671984E+4 4.828274E+2 -3.0796478E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Nontronite(Nau2)
|
|
Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 + 8.168H+ + 1.832H2O = 0.818Al+3 + 0.247Ca+2 + 1.688Fe+3 + 0.020K+ + 0.068Mg+2 + 3.458H4SiO4
|
|
log_k 1.333
|
|
delta_h -20.610 #kJ/mol #13gai/bla
|
|
-analytic -1.4070522E+3 -2.4147754E-1 7.5390615E+4 5.1030382E+2 -3.1284309E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 13gai/bla; S°: 13gai/bla; Cp: 09gai; V°: 13gai/bla;
|
|
|
|
Okenite
|
|
CaSi2O4(OH)2:H2O + 2.000H+ + 1.000H2O = 1.000Ca+2 + 2.000H4SiO4
|
|
log_k 9.180
|
|
delta_h -43.858 #kJ/mol #10abla/bou
|
|
-analytic -3.6163465E+2 -5.9241274E-2 1.8698583E+4 1.3453134E+2 -6.3352334E+5
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 92wol;
|
|
|
|
Olivenite
|
|
Cu2AsO4(OH) + 3.000H+ = 1.000H2AsO4- + 2.000Cu+2 + 1.000H2O
|
|
log_k 2.390
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
Orpiment
|
|
As2S3 + 6.000H2O = 2.000H2AsO3- + 3.000HS- + 5.000H+
|
|
log_k -65.102
|
|
delta_h -2660.246 #kJ/mol #Internal calculation
|
|
-analytic -2.6864123E+3 -4.4185309E-1 1.2663353E+5 9.7924806E+2 -8.424208E+6
|
|
#References = LogK/DGf: 96pok/gou; DHf/DHr: Internal calculation; S°: 96pok/gou; Cp: 96pok/gou; V°: 96pok/gou;
|
|
|
|
Otavite
|
|
CdCO3 + 1.000H+ = 1.000HCO3- + 1.000Cd+2
|
|
log_k -1.773
|
|
delta_h -13.219 #kJ/mol #Internal calculation
|
|
-analytic -8.8925809E+2 -1.4348726E-1 4.8437856E+4 3.2294406E+2 -2.7823266E+6
|
|
#References = LogK/DGf: 91rai/fel; DHf/DHr: Internal calculation; S°: 96arc; Cp: 96arc; V°: 95rob/hem;
|
|
|
|
P(element)
|
|
P + 1.500H2O = 1.000PH3 + 0.750O2
|
|
log_k -68.934
|
|
delta_h -858.688 #kJ/mol #89cox/wag
|
|
-analytic 2.9803538E+2 4.5927419E-2 -4.0364308E+4 -1.0553155E+2 1.4090701E+6
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Paragonite
|
|
NaAl2(AlSi3)O10(OH)2 + 10.000H+ = 3.000Al+3 + 1.000Na+ + 3.000H4SiO4
|
|
log_k 16.788
|
|
delta_h -301.623 #kJ/mol #96rou/hov
|
|
-analytic -1.7189083E+3 -2.8796471E-1 9.88627E+4 6.2129445E+2 -4.2123891E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 96rou/hov; S°: 84rob/hem; Cp: 84rob/hem; V°: 78hel/del;
|
|
|
|
Pargasite
|
|
Na(Ca2Mg4Al)(Al2Si6)O22(OH)2 + 22.000H+ = 3.000Al+3 + 2.000Ca+2 + 4.000Mg+2 + 1.000Na+ + 6.000H4SiO4
|
|
log_k 104.525
|
|
delta_h -954.614 #kJ/mol #Internal calculation
|
|
-analytic -3.7898861E+3 -6.1724725E-1 2.3589446E+5 1.3713915E+3 -9.4377388E+6
|
|
#References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh;
|
|
|
|
Pb(element)
|
|
Pb + 0.500O2 + 2.000H+ = 1.000Pb+2 + 1.000H2O
|
|
log_k 47.241
|
|
delta_h -278.843 #kJ/mol #By convention
|
|
-analytic -3.4851073E+2 -5.4260243E-2 3.4467602E+4 1.2550095E+2 -1.2640441E+6
|
|
#References = S°: 89cox/wag; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Pb(H2PO4)2
|
|
Pb(H2PO4)2 = 2.000H2PO4- + 1.000Pb+2
|
|
log_k -9.840
|
|
#References = LogK/DGf: 74nri;
|
|
#References = LogK/DGf: 74nri; V°: Default value;
|
|
|
|
Pb(OH)2
|
|
Pb(OH)2 + 2.000H+ = 1.000Pb+2 + 2.000H2O
|
|
log_k 13.512
|
|
delta_h -56.140 #kJ/mol #52lat
|
|
-analytic -3.1323007E+2 -4.1680642E-2 1.987237E+4 1.1410949E+2 -8.7469124E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 52lat; S°: 52lat; V°: Default value;
|
|
|
|
Pb2SiO4
|
|
Pb2SiO4 + 4.000H+ = 2.000Pb+2 + 1.000H4SiO4
|
|
log_k 15.890
|
|
delta_h -81.473 #kJ/mol #98cha
|
|
-analytic -6.1988421E+2 -9.8786517E-2 3.6726559E+4 2.2708664E+2 -1.7659193E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 94pan;
|
|
|
|
Pb3(PO4)2
|
|
Pb3(PO4)2 + 4.000H+ = 2.000H2PO4- + 3.000Pb+2
|
|
log_k -5.480
|
|
delta_h -2.292 #kJ/mol #Internal calculation
|
|
-analytic -2.0146304E+3 -3.2440995E-1 1.1078819E+5 7.3123239E+2 -6.6758142E+6
|
|
#References = LogK/DGf: 74nri; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz, 68,69,71,76wag/eva, 71par/wag, 60kel; V°: 82wag/eva,60kel;
|
|
|
|
Pb4O(PO4)2
|
|
Pb4O(PO4)2 + 6.000H+ = 2.000H2PO4- + 4.000Pb+2 + 1.000H2O
|
|
log_k 4.487
|
|
#References = LogK/DGf: 78ric/nri;
|
|
#References = LogK/DGf: 78ric/nri; V°: Default value;
|
|
|
|
PbHPO4
|
|
PbHPO4 + 1.000H+ = 1.000H2PO4- + 1.000Pb+2
|
|
log_k -4.225
|
|
delta_h 16.293 #kJ/mol #Internal calculation
|
|
-analytic -9.3895881E+2 -1.4495725E-1 5.0201844E+4 3.4060483E+2 -2.9538797E+6
|
|
#References = LogK/DGf: 74nri; DHf/DHr: Internal calculation; S°: 74nau/ryz; V°: Default value;
|
|
|
|
Pd(element)
|
|
Pd + 0.500O2 + 2.000H+ = 1.000Pd+2 + 1.000H2O
|
|
log_k 12.061
|
|
delta_h -101.834 #kJ/mol #By convention
|
|
-analytic -4.0254437E+2 -6.3293533E-2 2.7215174E+4 1.4428338E+2 -1.3176827E+6
|
|
#References = LogK/DGf: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
Pd(OH)2(s)
|
|
Pd(OH)2 + 2.000H+ = 1.000Pd+2 + 2.000H2O
|
|
log_k -0.619
|
|
delta_h -8.148 #kJ/mol #Internal calculation
|
|
-analytic -2.9836756E+2 -4.5415203E-2 1.5670217E+4 1.0813703E+2 -7.8648826E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
Pd4S(s)
|
|
Pd4S + 1.500O2 + 7.000H+ = 4.000Pd+2 + 1.000HS- + 3.000H2O
|
|
log_k -8.841
|
|
delta_h -943.649 #kJ/mol #Internal calculation
|
|
-analytic -2.1800032E+3 -3.4582882E-1 1.2200829E+5 7.8564141E+2 -7.0194654E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
PdO(s)
|
|
PdO + 2.000H+ = 1.000Pd+2 + 1.000H2O
|
|
log_k 0.108
|
|
delta_h -22.551 #kJ/mol #Internal calculation
|
|
-analytic -3.1519711E+2 -4.9219882E-2 1.7411899E+4 1.1373825E+2 -8.7627206E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
PdS2
|
|
PdS2 + 0.750H2O = 1.000Pd+2 + 1.500HS- + 0.250S2O3-2
|
|
log_k -55.401
|
|
delta_h -1234.203 #kJ/mol #Internal calculation
|
|
-analytic -1.6072739E+3 -2.6032605E-1 7.2743482E+4 5.8368459E+2 -5.2254574E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
Pentahydrite
|
|
MgSO4:5H2O = 1.000Mg+2 + 1.000SO4-2 + 5.000H2O
|
|
log_k -1.282
|
|
delta_h -14.187 #kJ/mol #Internal calculation
|
|
-analytic -1.7010546E+3 -2.4539809E-1 9.3233829E+4 6.1371887E+2 -5.1892999E+6
|
|
#References = LogK/DGf: 80har/wea; DHf/DHr: Internal calculation; S°: 99yun/glu; V°: 63wyc;
|
|
|
|
Periclase
|
|
MgO + 2.000H+ = 1.000Mg+2 + 1.000H2O
|
|
log_k 21.584
|
|
delta_h -151.230 #kJ/mol #89cox/wag
|
|
-analytic -3.4024528E+2 -5.1189336E-2 2.5596794E+4 1.2206444E+2 -9.6015047E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Philipsbornite
|
|
PbAl3(AsO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2AsO4- + 1.000Pb+2 + 6.000H2O
|
|
log_k 8.935
|
|
#References = LogK/DGf: 93sch/got;
|
|
#References = LogK/DGf: 93sch/got; V°: Default value;
|
|
|
|
Phillipsite(Ca)
|
|
Ca0.5AlSi3O8:3H2O + 4.000H+ + 1.000H2O = 1.000Al+3 + 0.500Ca+2 + 3.000H4SiO4
|
|
log_k 2.320
|
|
delta_h -83.633 #kJ/mol #Internal calculation
|
|
-analytic -7.1271357E+2 -1.1918398E-1 3.7005583E+4 2.5968106E+2 -1.4323028E+6
|
|
#References = LogK/DGf: 09bla; DHf/DHr: Internal calculation; S°: 09bla; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Phillipsite(K)
|
|
KAlSi3O8:3H2O + 4.000H+ + 1.000H2O = 1.000Al+3 + 1.000K+ + 3.000H4SiO4
|
|
log_k 0.040
|
|
delta_h -46.436 #kJ/mol #Internal calculation
|
|
-analytic -6.6986016E+2 -1.115838E-1 3.3550705E+4 2.4501332E+2 -1.3893971E+6
|
|
#References = LogK/DGf: 09bla; DHf/DHr: Internal calculation; S°: 09bla; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Phillipsite(Na)
|
|
NaAlSi3O8:3H2O + 4.000H+ + 1.000H2O = 1.000Al+3 + 1.000Na+ + 3.000H4SiO4
|
|
log_k 1.450
|
|
delta_h -64.833 #kJ/mol #Internal calculation
|
|
-analytic -7.3533029E+2 -1.1744576E-1 3.7864057E+4 2.6754934E+2 -1.5319008E+6
|
|
#References = LogK/DGf: 09bla; DHf/DHr: Internal calculation; S°: 09bla; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Phlogopite
|
|
KMg3(AlSi3)O10(OH)2 + 10.000H+ = 1.000Al+3 + 1.000K+ + 3.000Mg+2 + 3.000H4SiO4
|
|
log_k 41.082
|
|
delta_h -360.123 #kJ/mol #92cir/nav
|
|
-analytic -1.737548E+3 -2.7905657E-1 1.0458653E+5 6.3029339E+2 -4.317962E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 92cir/nav; S°: 84rob/hem; Cp: 84rob/hem; V°: 78hel/del;
|
|
|
|
Phlogopite(Na)
|
|
NaMg3AlSi3O10(OH)2 + 10.000H+ = 1.000Al+3 + 3.000Mg+2 + 1.000Na+ + 3.000H4SiO4
|
|
log_k 44.180
|
|
delta_h -391.183 #kJ/mol #98hol/pow
|
|
-analytic -1.7916703E+3 -2.8509243E-1 1.0894649E+5 6.4882848E+2 -4.448331E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 98hol/pow; Cp: 98hol/pow; V°: 98hol/pow;
|
|
|
|
Phosgenite
|
|
Pb2(CO3)Cl2 + 1.000H+ = 1.000HCO3- + 2.000Cl- + 2.000Pb+2
|
|
log_k -9.573
|
|
delta_h 49.187 #kJ/mol #Internal calculation
|
|
-analytic -2.4536545E+3 -3.8655339E-1 1.3191468E+5 8.9165001E+2 -7.950751E+6
|
|
#References = LogK/DGf: 78ric/nri; DHf/DHr: Internal calculation; S°: 78ric/nri; V°: 90rob/cam;
|
|
|
|
Picromerite
|
|
K2Mg(SO4)2:6H2O = 2.000K+ + 1.000Mg+2 + 2.000SO4-2 + 6.000H2O
|
|
log_k -4.332
|
|
delta_h 33.490 #kJ/mol #74nau/ryz
|
|
-analytic -3.2232732E+3 -4.7661095E-1 1.7543746E+5 1.1668677E+3 -1.0197446E+7
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 74nau/ryz; S°: Internal calculation; V°: 63wyc;
|
|
|
|
Pirssonite
|
|
Na2Ca(CO3)2:2H2O + 2.000H+ = 2.000HCO3- + 1.000Ca+2 + 2.000Na+ + 2.000H2O
|
|
log_k 11.743
|
|
delta_h -19.823 #kJ/mol #Internal calculation
|
|
-analytic -1.7610201E+3 -2.5863522E-1 9.6514317E+4 6.4080213E+2 -5.28544E+6
|
|
#References = LogK/DGf: 99kon/kon; DHf/DHr: Internal calculation; S°: 99kon/kon; V°: 63wyc;
|
|
|
|
Plattnerite
|
|
PbO2 + 2.000H+ = 1.000Pb+2 + 0.500O2 + 1.000H2O
|
|
log_k 6.559
|
|
delta_h -16.236 #kJ/mol #98cha
|
|
-analytic -1.6824063E+2 -2.5792997E-2 9.0502903E+3 6.306036E+1 -3.4699132E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 82pan;
|
|
|
|
Plumbogummite
|
|
PbAl3(PO4)2(OH)5:H2O + 9.000H+ = 3.000Al+3 + 2.000H2PO4- + 1.000Pb+2 + 6.000H2O
|
|
log_k 9.643
|
|
#References = LogK/DGf: 04gab/vie;
|
|
#References = LogK/DGf: 04gab/vie; V°: 63wyc;
|
|
|
|
Plumbonacrite
|
|
Pb10O(OH)6(CO3)6 + 14.000H+ = 6.000HCO3- + 10.000Pb+2 + 7.000H2O
|
|
log_k 19.869
|
|
#References = LogK/DGf: 84tay/lop;
|
|
#References = LogK/DGf: 84tay/lop; V°: 90rob/cam;
|
|
|
|
Polyhalite
|
|
K2MgCa2(SO4)4:2H2O = 2.000Ca+2 + 2.000K+ + 1.000Mg+2 + 4.000SO4-2 + 2.000H2O
|
|
log_k -13.741
|
|
#References = LogK/DGf: 84har/mol;
|
|
#References = LogK/DGf: 84har/mol; V°: 63wyc;
|
|
|
|
Portlandite
|
|
Ca(OH)2 + 2.000H+ = 1.000Ca+2 + 2.000H2O
|
|
log_k 22.809
|
|
delta_h -130.107 #kJ/mol #Internal calculation
|
|
-analytic -2.0860029E+2 -3.3878824E-2 1.7101262E+4 7.6713764E+1 -5.0406986E+5
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: Internal calculation; S°: 98cha; Cp: 99aki/zot; V°: 95rob/hem;
|
|
|
|
Prehnite
|
|
Ca2Al2Si3O10(OH)2 + 10.000H+ = 2.000Al+3 + 2.000Ca+2 + 3.000H4SiO4
|
|
log_k 32.580
|
|
delta_h -346.617 #kJ/mol #98cha/kru
|
|
-analytic -1.544913E+3 -2.6559065E-1 9.1401453E+4 5.6198408E+2 -3.5980949E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha/kru; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Pseudomalachite
|
|
Cu5(PO4)2(OH)4 + 8.000H+ = 5.000Cu+2 + 2.000H2PO4- + 4.000H2O
|
|
log_k 22.032
|
|
#References = LogK/DGf: 84nri;
|
|
#References = LogK/DGf: 84nri; V°: 63wyc;
|
|
|
|
Pt(element)
|
|
Pt + 0.500O2 + 2.000H+ = 1.000Pt+2 + 1.000H2O
|
|
log_k -2.159
|
|
delta_h -24.919 #kJ/mol #By convention
|
|
-analytic -4.0433584E+2 -6.3684693E-2 2.3285215E+4 1.4468282E+2 -1.3282862E+6
|
|
#References = S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
PtS2
|
|
PtS2 + 0.750H2O = 1.000Pt+2 + 1.500HS- + 0.250S2O3-2
|
|
log_k -74.386
|
|
delta_h -1125.026 #kJ/mol #Internal calculation
|
|
-analytic -1.6095798E+3 -2.6094168E-1 6.7194472E+4 5.8460093E+2 -5.238904E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
Pyrite
|
|
FeS2 + 0.750H2O = 1.000Fe+2 + 1.500HS- + 0.250S2O3-2
|
|
log_k -23.590
|
|
delta_h -1409.332 #kJ/mol #05wal/pel
|
|
-analytic -1.6076974E+3 -2.6014632E-1 8.2137475E+4 5.8407864E+2 -5.2522406E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 95rob/hem; Cp: 05wal/pel; V°: 78hel/del;
|
|
|
|
Pyromorphite
|
|
Pb5(PO4)3OH + 7.000H+ = 3.000H2PO4- + 5.000Pb+2 + 1.000H2O
|
|
log_k -18.120
|
|
#References = LogK/DGf: 74nri;
|
|
#References = LogK/DGf: 74nri; V°: 90rob/cam;
|
|
|
|
Pyromorphite(Br)
|
|
Pb5(PO4)3Br + 6.000H+ = 1.000Br- + 3.000H2PO4- + 5.000Pb+2
|
|
log_k -19.420
|
|
#References = LogK/DGf: 74nri;
|
|
#References = LogK/DGf: 74nri; V°: 90rob/cam;
|
|
|
|
Pyromorphite(Cl)
|
|
Pb5(PO4)3Cl + 6.000H+ = 1.000Cl- + 3.000H2PO4- + 5.000Pb+2
|
|
log_k -25.720
|
|
#References = LogK/DGf: 74nri;
|
|
#References = LogK/DGf: 74nri; V°: 63wyc;
|
|
|
|
Pyromorphite(F)
|
|
Pb5(PO4)3F + 6.000H+ = 1.000F- + 3.000H2PO4- + 5.000Pb+2
|
|
log_k -12.920
|
|
#References = LogK/DGf: 74nri;
|
|
#References = LogK/DGf: 74nri; V°: 90rob/cam;
|
|
|
|
Pyrope(alpha)
|
|
Mg3Al2Si3O12 + 12.000H+ = 2.000Al+3 + 3.000Mg+2 + 3.000H4SiO4
|
|
log_k 58.914
|
|
delta_h -576.383 #kJ/mol #95rob/hem
|
|
-analytic -2.1679284E+3 -3.5264264E-1 1.3716134E+5 7.8170939E+2 -5.5422373E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 78hel/del,78rob/hem; Cp: 78hel/del,78rob/hem; V°: 78hel/del,78rob/hem;
|
|
|
|
Pyrophyllite
|
|
Al2Si4O10(OH)2 + 6.000H+ + 4.000H2O = 2.000Al+3 + 4.000H4SiO4
|
|
log_k -0.453
|
|
delta_h -138.257 #kJ/mol #95rob/hem
|
|
-analytic -1.1628481E+3 -2.049586E-1 6.032886E+4 4.2383278E+2 -2.4523429E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 76rob/hem; Cp: 76rob/hem; V°: 95rob/hem;
|
|
|
|
Pyroxene(CaAl)
|
|
CaAl(AlSi)O6 + 8.000H+ = 2.000Al+3 + 1.000Ca+2 + 1.000H4SiO4 + 2.000H2O
|
|
log_k 36.226
|
|
delta_h -373.125 #kJ/mol #Internal calculation
|
|
-analytic -1.1777159E+3 -2.0014945E-1 7.6772081E+4 4.2429487E+2 -3.0017509E+6
|
|
#References = LogK/DGf: 78hel/del,92ajoh; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh;
|
|
|
|
Pyrrhotite
|
|
FeS + 1.000H+ = 1.000Fe+2 + 1.000HS-
|
|
log_k -3.679
|
|
delta_h -878.782 #kJ/mol #05wal/pel
|
|
-analytic -1.1321875E+3 -1.8235847E-1 6.1305101E+4 4.1103816E+2 -3.5403698E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 78hel/del;
|
|
|
|
Quartz(alpha)
|
|
SiO2 + 2.000H2O = 1.000H4SiO4
|
|
log_k -3.737
|
|
delta_h 21.166 #kJ/mol #82ric/bot
|
|
-analytic -7.5895338E+1 -1.5422139E-2 1.5615589E+3 2.9087273E+1 -4.0514987E+4
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82ric/bot; S°: 82ric/bot; Cp: 82ric/bot; V°: 95rob/hem;
|
|
|
|
Quartz(beta)
|
|
SiO2 + 2.000H2O = 1.000H4SiO4
|
|
log_k -3.505
|
|
#delta_h 0.000 #kJ/mol
|
|
-analytic -6.8943854E+1 -1.453455E-2 1.2544854E+3 2.6568692E+1 -1.5788328E+4
|
|
#References = LogK/DGf: Internal calculation; Cp: 89cox/wag; V°: Default value;
|
|
|
|
Realgar
|
|
AsS + 0.250O2 + 2.500H2O = 1.000H2AsO3- + 1.000HS- + 2.000H+
|
|
log_k -7.796
|
|
delta_h -1038.630 #kJ/mol #Internal calculation
|
|
-analytic -1.0561353E+3 -1.7430394E-1 5.555984E+4 3.8460823E+2 -3.3538562E+6
|
|
#References = LogK/DGf: 11bla/las; DHf/DHr: Internal calculation; S°: 96pok/gou; Cp: 96pok/gou; V°: 96pok/gou;
|
|
|
|
Rh(element)
|
|
Rh + 0.500O2 + 2.000H+ = 1.000Rh+2 + 1.000H2O
|
|
log_k 22.693
|
|
delta_h -169.367 #kJ/mol #98sas/sho
|
|
-analytic -4.00915E+2 -6.26122E-2 3.0841492E+4 1.4305812E+2 -1.3471779E+6
|
|
#References = LogK/DGf: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
Rh2O(s)
|
|
Rh2O + 0.6666675O2 + 4.66667H+ = 1.33333Rh+2 + 0.66667Rh+3 + 2.333335H2O
|
|
log_k 32.167
|
|
delta_h -249.665 #kJ/mol #Internal calculation
|
|
-analytic -8.796417E+2 -1.3844947E-1 6.2594662E+4 3.1309903E+2 -2.808935E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: Default value;
|
|
|
|
Rh2O3(s)
|
|
Rh2O3 + 6.000H+ = 2.000Rh+3 + 3.000H2O
|
|
log_k 12.338
|
|
delta_h -71.137 #kJ/mol #Internal calculation
|
|
-analytic -9.8681214E+2 -1.5763916E-1 6.2099093E+4 3.5176997E+2 -2.8946162E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
Rhodochrosite
|
|
MnCO3 + 1.000H+ = 1.000HCO3- + 1.000Mn+2
|
|
log_k 0.230
|
|
delta_h -22.001 #kJ/mol #Internal calculation
|
|
-analytic -8.9448498E+2 -1.447547E-1 4.9048099E+4 3.251749E+2 -2.7786486E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Riebeckite
|
|
Na2(Fe3Fe2)Si8O22(OH)2 + 14.000H+ + 8.000H2O = 3.000Fe+2 + 2.000Na+ + 8.000H4SiO4 + 2.000Fe+3
|
|
log_k 9.166
|
|
delta_h -18.281 #kJ/mol #98hol/pow
|
|
-analytic -2.6589261E+3 -4.3918913E-1 1.3789391E+5 9.7129313E+2 -5.9436999E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 98hol/pow; Cp: 95rob/hem; V°: 78hel/del;
|
|
|
|
Rockbridgite(Zn)
|
|
ZnFe4(PO4)3(OH)5 + 11.000H+ = 4.000Fe+3 + 3.000H2PO4- + 1.000Zn+2 + 5.000H2O
|
|
log_k 1.839
|
|
#References = LogK/DGf: 84nri;
|
|
#References = LogK/DGf: 84nri; V°: Default value;
|
|
|
|
Romarchite
|
|
SnO + 2.000H+ = 1.000Sn+2 + 1.000H2O
|
|
log_k 2.227
|
|
delta_h -13.896 #kJ/mol #89cox/wag
|
|
-analytic -2.8999155E+2 -4.4343041E-2 1.6701032E+4 1.0507711E+2 -9.4067746E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Romerite
|
|
Fe3(SO4)4:14H2O = 2.000Fe+3 + 4.000SO4-2 + 1.000Fe+2 + 14.000H2O
|
|
log_k -11.647
|
|
delta_h 100.783 #kJ/mol #02hem/sea
|
|
-analytic -6.7194301E+3 -1.0032128E+0 3.7007859E+5 2.4250113E+3 -2.0880272E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam;
|
|
|
|
Rozenite
|
|
FeSO4:4H2O = 1.000Fe+2 + 1.000SO4-2 + 4.000H2O
|
|
log_k -1.701
|
|
delta_h -14.960 #kJ/mol #02cho/sea
|
|
-analytic -1.6785167E+3 -2.4719535E-1 9.2179494E+4 6.0611872E+2 -5.1963711E+6
|
|
#References = LogK/DGf: 02cho/sea; DHf/DHr: 02cho/sea; S°: Internal calculation; V°: 90rob/cam;
|
|
|
|
Ru(element)
|
|
Ru + 0.500O2 + 2.000H+ = 1.000Ru+2 + 1.000H2O
|
|
log_k 16.680
|
|
delta_h -157.113 #kJ/mol #Internal calculation
|
|
-analytic -4.0063587E+2 -6.2340836E-2 2.8922728E+4 1.4307729E+2 -1.3458802E+6
|
|
#References = DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
RuO2(s)
|
|
RuO2 + 3.000H+ = 1.000Ru+3 + 0.250O2 + 1.500H2O
|
|
log_k -13.123
|
|
delta_h 137.924 #kJ/mol #Internal calculation
|
|
-analytic -4.0222737E+2 -6.5437289E-2 1.886713E+4 1.4401895E+2 -9.8061537E+5
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
Rutile
|
|
TiO2 + 2.000H2O = 1.000Ti(OH)4
|
|
log_k -8.858
|
|
delta_h 0.300 #kJ/mol #89cox/wag
|
|
-analytic -5.1540942E+2 -3.9727872E-2 2.5679554E+4 1.7881056E+2 -9.0572332E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
S(alpha)
|
|
S + 1.000H2O = 1.000HS- + 0.500O2 + 1.000H+
|
|
log_k -45.139
|
|
delta_h -605.310 #kJ/mol #By convention
|
|
-analytic -5.602288E+2 -9.1663496E-2 1.6254771E+4 2.0503514E+2 -1.7286101E+6
|
|
#References = S°: 89cox/wag; Cp: 11par/cor; V°: 11par/cor;
|
|
|
|
S(beta)
|
|
S + 1.000H2O = 1.000HS- + 0.500O2 + 1.000H+
|
|
log_k -45.127
|
|
#delta_h 0.000 #kJ/mol
|
|
-analytic -5.5963535E+2 -9.1584791E-2 1.6243004E+4 2.0480187E+2 -1.727504E+6
|
|
#References = LogK/DGf: Internal calculation; Cp: 11par/cor; V°: Default value;
|
|
|
|
S(gamma)
|
|
S + 1.000H2O = 1.000HS- + 0.500O2 + 1.000H+
|
|
log_k -45.088
|
|
#delta_h 0.000 #kJ/mol
|
|
-analytic -5.4308374E+2 -9.0096285E-2 1.5209283E+4 1.9901195E+2 -1.6530806E+6
|
|
#References = LogK/DGf: Internal calculation; Cp: 11par/cor; V°: Default value;
|
|
|
|
Sanidine
|
|
K(AlSi3)O8 + 4.000H+ + 4.000H2O = 1.000Al+3 + 1.000K+ + 3.000H4SiO4
|
|
log_k 0.609
|
|
delta_h -65.203 #kJ/mol #95rob/hem
|
|
-analytic -7.3894518E+2 -1.2927442E-1 3.7405984E+4 2.7081817E+2 -1.5543047E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 06bla/pia; V°: 78hel/del;
|
|
|
|
Saponite(Ca)
|
|
Ca0.17Mg3Al0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 0.170Ca+2 + 3.000Mg+2 + 3.660H4SiO4
|
|
log_k 29.339
|
|
delta_h -271.306 #kJ/mol #15bla/vie
|
|
-analytic -1.4679336E+3 -2.3033044E-1 8.6526936E+4 5.3180788E+2 -3.5727334E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Saponite(FeCa)
|
|
Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 0.170Ca+2 + 1.000Fe+2 + 2.000Mg+2 + 3.660H4SiO4
|
|
log_k 26.553
|
|
delta_h -259.176 #kJ/mol #15bla/vie
|
|
-analytic -1.4361908E+3 -2.2719356E-1 8.4109896E+4 5.2035792E+2 -3.4860626E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Saponite(FeK)
|
|
K0.34Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 1.000Fe+2 + 0.340K+ + 2.000Mg+2 + 3.660H4SiO4
|
|
log_k 25.382
|
|
delta_h -240.633 #kJ/mol #15bla/vie
|
|
-analytic -1.4165116E+3 -2.2368667E-1 8.2321435E+4 5.1374712E+2 -3.445111E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Saponite(FeMg)
|
|
Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 1.000Fe+2 + 2.170Mg+2 + 3.660H4SiO4
|
|
log_k 26.005
|
|
delta_h -260.346 #kJ/mol #15bla/vie
|
|
-analytic -1.451627E+3 -2.2900755E-1 8.4995879E+4 5.2560124E+2 -3.5319625E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Saponite(FeNa)
|
|
Na0.34Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 1.000Fe+2 + 2.000Mg+2 + 0.340Na+ + 3.660H4SiO4
|
|
log_k 25.707
|
|
delta_h -248.261 #kJ/mol #15bla/vie
|
|
-analytic -1.4366339E+3 -2.2579273E-1 8.3752012E+4 5.2055425E+2 -3.4955109E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Saponite(K)
|
|
K0.33Mg3Al0.33Si3.67O10(OH)2 + 7.320H+ + 2.680H2O = 0.330Al+3 + 0.330K+ + 3.000Mg+2 + 3.670H4SiO4
|
|
log_k 27.414
|
|
delta_h -248.047 #kJ/mol #15bla/vie
|
|
-analytic -1.4433778E+3 -2.2608265E-1 8.4228204E+4 5.2345354E+2 -3.5162809E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Saponite(Mg)
|
|
Mg0.17Mg3Al0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 3.170Mg+2 + 3.660H4SiO4
|
|
log_k 28.794
|
|
delta_h -272.486 #kJ/mol #15bla/vie
|
|
-analytic -1.4833657E+3 -2.3214443E-1 8.7413286E+4 5.3705E+2 -3.6186332E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Saponite(Na)
|
|
Na0.33Mg3Al0.33Si3.67O10(OH)2 + 7.320H+ + 2.680H2O = 0.330Al+3 + 3.000Mg+2 + 0.330Na+ + 3.670H4SiO4
|
|
log_k 27.955
|
|
delta_h -256.783 #kJ/mol #15bla/vie
|
|
-analytic -1.4629424E+3 -2.2812926E-1 8.5687579E+4 5.3006983E+2 -3.5652414E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Saponite(SapCa)
|
|
(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.055)O10(OH)2 + 7.724H+ + 2.276H2O = 0.397Al+3 + 0.038Ca+2 + 0.034Fe+3 + 0.021K+ + 2.949Mg+2 + 0.394Na+ + 3.569H4SiO4 + 0.021Fe+2
|
|
log_k 31.457
|
|
delta_h -282.138 #kJ/mol #13gai/bla
|
|
-analytic -1.4992947E+3 -2.4230547E-1 8.7573079E+4 5.4512257E+2 -3.5199312E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 13gai/bla; S°: 13gai/bla; Cp: 09gai; V°: 13gai/bla;
|
|
|
|
Sb(element)
|
|
Sb + 0.750O2 + 1.500H2O = 1.000Sb(OH)3
|
|
log_k 52.747
|
|
delta_h -316.199 #kJ/mol #Internal calculation
|
|
-analytic -7.3243948E+1 -1.7339271E-2 1.9544135E+4 2.7218361E+1 -1.5472902E+5
|
|
#References = DHf/DHr: Internal calculation; S°: 94aki/zot; Cp: 94aki/zot; V°: 94aki/zot;
|
|
|
|
Scholzite
|
|
CaZn2(PO4)2:2H2O + 4.000H+ = 1.000Ca+2 + 2.000H2PO4- + 2.000Zn+2 + 2.000H2O
|
|
log_k 7.440
|
|
#References = LogK/DGf: 84nri;
|
|
#References = LogK/DGf: 84nri; V°: 63wyc;
|
|
|
|
Schultenite
|
|
PbHAsO4 + 1.000H+ = 1.000H2AsO4- + 1.000Pb+2
|
|
log_k -5.410
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
Schwertmannite
|
|
Fe8O8(OH)6SO4:8H2O + 22.000H+ = 8.000Fe+3 + 1.000SO4-2 + 22.000H2O
|
|
log_k 8.953
|
|
#References = LogK/DGf: 04maj/nav;
|
|
#References = LogK/DGf: 04maj/nav; V°: 90rob/cam;
|
|
|
|
Scolecite
|
|
CaAl2Si3O10:3H2O + 8.000H+ = 2.000Al+3 + 1.000Ca+2 + 3.000H4SiO4 + 1.000H2O
|
|
log_k 16.630
|
|
delta_h -240.213 #kJ/mol #83joh/flo
|
|
-analytic -1.3509071E+3 -2.3333788E-1 7.5509884E+4 4.9198629E+2 -2.9817448E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 83joh/flo; S°: 83joh/flo; Cp: 83joh/flo; V°: 95rob/hem;
|
|
|
|
Scorodite
|
|
FeAsO4:2H2O + 2.000H+ = 1.000H2AsO4- + 1.000Fe+3 + 2.000H2O
|
|
log_k -7.371
|
|
delta_h 77.472 #kJ/mol #11maj/dra
|
|
-analytic -9.9439678E+2 -1.59003E-1 5.357269E+4 3.5903799E+2 -2.9927664E+6
|
|
#References = LogK/DGf: 06lan/mah; DHf/DHr: 11maj/dra; S°: Internal calculation; Cp: 90pap/ber; V°: 00bla/bid;
|
|
|
|
Scorodite(am)
|
|
FeAsO4:2H2O + 2.000H+ = 1.000H2AsO4- + 1.000Fe+3 + 2.000H2O
|
|
log_k -4.541
|
|
#References = LogK/DGf: 06lan/mah;
|
|
#References = LogK/DGf: 06lan/mah; V°: 00bla/bid;
|
|
|
|
Sellaite
|
|
MgF2 = 2.000F- + 1.000Mg+2
|
|
log_k -9.220
|
|
delta_h -13.500 #kJ/mol #89cox/wag
|
|
-analytic -1.7205813E+3 -2.7422602E-1 9.3941364E+4 6.2239264E+2 -5.5140069E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Senarmontite
|
|
Sb2O3 + 3.000H2O = 2.000Sb(OH)3
|
|
log_k -9.831
|
|
delta_h 67.343 #kJ/mol #Internal calculation
|
|
-analytic 1.180315E+2 7.2977432E-3 -1.4458072E+4 -3.7531885E+1 1.0066432E+6
|
|
#References = LogK/DGf: 03zot/shi; DHf/DHr: Internal calculation; S°: 03zot/shi; Cp: 03zot/shi; V°: 03zot/shi;
|
|
|
|
Sepiolite
|
|
Mg4Si6O15(OH)2:6H2O + 8.000H+ + 1.000H2O = 4.000Mg+2 + 6.000H4SiO4
|
|
log_k 31.420
|
|
delta_h -239.969 #kJ/mol #Internal calculation
|
|
-analytic -1.6080804E+3 -2.5767279E-1 8.7642508E+4 5.8951884E+2 -3.231673E+6
|
|
#References = LogK/DGf: 88sto; DHf/DHr: Internal calculation; S°: 88sto; Cp: 88sto; V°: 88sto;
|
|
|
|
Siderite
|
|
FeCO3 + 1.000H+ = 1.000HCO3- + 1.000Fe+2
|
|
log_k -0.273
|
|
delta_h -27.862 #kJ/mol #Internal calculation
|
|
-analytic -9.0291123E+2 -1.4586221E-1 4.9931005E+4 3.2756219E+2 -2.8333834E+6
|
|
#References = LogK/DGf: 04chi; DHf/DHr: Internal calculation; S°: 04chi; Cp: 04chi; V°: 78hel/del,85hel;
|
|
|
|
Siderophyllite
|
|
KFe2Al3Si2O10(OH)2 + 14.000H+ = 3.000Al+3 + 2.000Fe+2 + 1.000K+ + 2.000H4SiO4 + 4.000H2O
|
|
log_k 40.554
|
|
delta_h -484.778 #kJ/mol #90hol/pow
|
|
-analytic -2.2116482E+3 -3.6267321E-1 1.3526136E+5 7.9696059E+2 -5.8103141E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 90hol/pow; S°: 90hol/pow; Cp: 90hol/pow; V°: 90hol/pow;
|
|
|
|
Siderotil
|
|
FeSO4:5H2O = 1.000Fe+2 + 1.000SO4-2 + 5.000H2O
|
|
log_k -2.241
|
|
delta_h -4.190 #kJ/mol #02hem/sea
|
|
-analytic -1.673414E+3 -2.4257184E-1 9.1189385E+4 6.0422151E+2 -5.1079866E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 90rob/cam;
|
|
|
|
Sillimanite
|
|
Al2SiO5 + 6.000H+ = 2.000Al+3 + 1.000H4SiO4 + 1.000H2O
|
|
log_k 16.563
|
|
delta_h -250.179 #kJ/mol #Internal calculation
|
|
-analytic -9.4796973E+2 -1.6189265E-1 5.8886872E+4 3.4042178E+2 -2.4052505E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Smectite(MX80)
|
|
Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2 + 7.048H+ + 2.952H2O = 1.860Al+3 + 0.009Ca+2 + 0.173Fe+3 + 0.024K+ + 0.214Mg+2 + 0.409Na+ + 3.738H4SiO4 + 0.035Fe+2
|
|
log_k 5.261
|
|
delta_h -166.924 #kJ/mol #12gai/bla
|
|
-analytic -1.331561E+3 -2.2877809E-1 7.1937629E+4 4.8387027E+2 -2.9826428E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 12gai/bla; S°: 12gai/bla; Cp: 12gai/bla; V°: 12gai/bla;
|
|
|
|
Smectite(MX80:3.989H2O)
|
|
Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2:3.989H2O + 7.048H+ = 1.860Al+3 + 0.009Ca+2 + 0.173Fe+3 + 0.024K+ + 0.214Mg+2 + 0.409Na+ + 3.738H4SiO4 + 0.035Fe+2 + 1.037H2O
|
|
log_k 4.233
|
|
delta_h -154.300 #kJ/mol #17gai/vie
|
|
-analytic -1.1999669E+3 -2.0062374E-1 6.5971455E+4 4.3404757E+2 -2.780222E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 17gai/vie; S°: 12gai/bla; Cp: 12gai/bla; V°: 12gai/bla;
|
|
|
|
Smectite(MX80:5.189H2O)
|
|
Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2:5.189H2O + 7.048H+ = 1.860Al+3 + 0.009Ca+2 + 0.173Fe+3 + 0.024K+ + 0.214Mg+2 + 0.409Na+ + 3.738H4SiO4 + 0.035Fe+2 + 2.237H2O
|
|
log_k 4.637
|
|
delta_h -150.456 #kJ/mol #17gai/vie
|
|
-analytic -1.1600134E+3 -1.9437034E-1 6.3696005E+4 4.1985759E+2 -2.6619985E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 17gai/vie; S°: 12gai/bla; Cp: 12gai/bla; V°: 12gai/bla;
|
|
|
|
Smithsonite
|
|
ZnCO3 + 1.000H+ = 1.000HCO3- + 1.000Zn+2
|
|
log_k 0.447
|
|
delta_h -30.470 #kJ/mol #Internal calculation
|
|
-analytic -9.3357478E+2 -1.495946E-1 5.1744281E+4 3.3862817E+2 -2.9193866E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Sn(alpha)
|
|
Sn + 0.500O2 + 2.000H+ = 1.000Sn+2 + 1.000H2O
|
|
log_k 47.809
|
|
delta_h -288.539 #kJ/mol #By convention
|
|
-analytic -3.6836533E+2 -5.7511144E-2 3.6049952E+4 1.3232735E+2 -1.3357743E+6
|
|
#References = LogK/DGf: Internal calculation; S°: 85jac/hel; Cp: 85jac/hel; V°: 85jac/hel;
|
|
|
|
Sn(beta)
|
|
Sn + 0.500O2 + 2.000H+ = 1.000Sn+2 + 1.000H2O
|
|
log_k 48.307
|
|
#delta_h 0.000 #kJ/mol
|
|
-analytic -3.6524038E+2 -5.6822726E-2 3.6274824E+4 1.3087808E+2 -1.3357743E+6
|
|
#References = LogK/DGf: Internal calculation; V°: Default value;
|
|
|
|
Spencerite
|
|
Zn4(PO4)2(OH)2:3H2O + 6.000H+ = 2.000H2PO4- + 4.000Zn+2 + 5.000H2O
|
|
log_k 16.829
|
|
#References = LogK/DGf: 84nri;
|
|
#References = LogK/DGf: 84nri; V°: 63wyc;
|
|
|
|
Spessartine(alpha)
|
|
Mn3Al2Si3O12 + 12.000H+ = 2.000Al+3 + 3.000Mn+2 + 3.000H4SiO4
|
|
log_k 49.871
|
|
delta_h -478.069 #kJ/mol #98hol/pow
|
|
-analytic -2.0606927E+3 -3.4119401E-1 1.2616001E+5 7.4665482E+2 -5.1914285E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Sphaerocobaltite
|
|
CoCO3 + 1.000H+ = 1.000HCO3- + 1.000Co+2
|
|
log_k -0.873
|
|
delta_h -24.122 #kJ/mol #Internal calculation
|
|
-analytic -9.0849323E+2 -1.4524623E-1 5.0273155E+4 3.2921944E+2 -2.8733576E+6
|
|
#References = LogK/DGf: 99gra; DHf/DHr: Internal calculation; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 90rob/cam;
|
|
|
|
Sphalerite
|
|
ZnS + 1.000H+ = 1.000HS- + 1.000Zn+2
|
|
log_k -11.488
|
|
delta_h -833.392 #kJ/mol #Internal calculation
|
|
-analytic -9.7146192E+2 -1.5443722E-1 5.0803214E+4 3.518045E+2 -3.1017775E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Spinel
|
|
MgAl2O4 + 8.000H+ = 2.000Al+3 + 1.000Mg+2 + 4.000H2O
|
|
log_k 37.851
|
|
delta_h -399.057 #kJ/mol #Internal calculation
|
|
-analytic -1.1927622E+3 -1.9510765E-1 8.055579E+4 4.2645175E+2 -3.2559531E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Spingcreekite
|
|
BaV3(PO4)2(OH)5:H2O + 9.000H+ = 1.000Ba+2 + 2.000H2PO4- + 3.000V+3 + 6.000H2O
|
|
log_k 7.600
|
|
#References = LogK/DGf: 04gab/vie;
|
|
#References = LogK/DGf: 04gab/vie; V°: Default value;
|
|
|
|
Sr(element)
|
|
Sr + 0.500O2 + 2.000H+ = 1.000Sr+2 + 1.000H2O
|
|
log_k 141.779
|
|
delta_h -830.663 #kJ/mol #By convention
|
|
-analytic -3.5819719E+2 -5.4886853E-2 6.3679171E+4 1.2816679E+2 -1.2783043E+6
|
|
#References = S°: 98cha; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Sr(OH)2
|
|
Sr(OH)2 + 2.000H+ = 1.000Sr+2 + 2.000H2O
|
|
log_k 27.513
|
|
delta_h -153.670 #kJ/mol #98cha
|
|
-analytic -2.6896563E+2 -3.8367288E-2 2.2533353E+4 9.7483067E+1 -7.8892335E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 94pan;
|
|
|
|
Sr(OH)2:8H2O
|
|
Sr(OH)2:8H2O + 2.000H+ = 1.000Sr+2 + 10.000H2O
|
|
log_k 24.317
|
|
delta_h -57.000 #kJ/mol #82wag/eva
|
|
-analytic -3.4955952E+2 -1.7322262E-2 2.0315171E+4 1.2726848E+2 -3.5681706E+5
|
|
#References = LogK/DGf: 98fel/dix; DHf/DHr: 82wag/eva; S°: Internal calculation; V°: Default value;
|
|
|
|
Sr2SiO4
|
|
Sr2SiO4 + 4.000H+ = 1.000H4SiO4 + 2.000Sr+2
|
|
log_k 43.248
|
|
#References = LogK/DGf: 82wag/eva;
|
|
#References = LogK/DGf: 82wag/eva; V°: Default value;
|
|
|
|
Sr3(AsO4)2
|
|
Sr3(AsO4)2 + 4.000H+ = 2.000H2AsO4- + 3.000Sr+2
|
|
log_k 20.630
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: Default value;
|
|
|
|
Sr3(PO4)2
|
|
Sr3(PO4)2 + 4.000H+ = 2.000H2PO4- + 3.000Sr+2
|
|
log_k 10.530
|
|
delta_h -147.900 #kJ/mol #06bla/ign
|
|
-analytic -2.2048079E+3 -3.3955459E-1 1.2658484E+5 7.9576955E+2 -6.8511451E+6
|
|
#References = LogK/DGf: 06bla/ign; DHf/DHr: 06bla/ign; S°: Internal calculation; V°: Default value;
|
|
|
|
Sr5(PO4)3(OH)
|
|
Sr5(PO4)3(OH) + 7.000H+ = 3.000H2PO4- + 5.000Sr+2 + 1.000H2O
|
|
log_k 7.170
|
|
delta_h -261.630 #kJ/mol #95jem/che
|
|
-analytic -3.482658E+3 -5.3045989E-1 2.0041177E+5 1.2512845E+3 -1.0704713E+7
|
|
#References = LogK/DGf: 05kin/par; DHf/DHr: 95jem/che; S°: Internal calculation; V°: Default value;
|
|
|
|
SrCl2
|
|
SrCl2 = 2.000Cl- + 1.000Sr+2
|
|
log_k 8.644
|
|
delta_h -59.210 #kJ/mol #98cha
|
|
-analytic -1.5278184E+3 -2.477959E-1 8.7032834E+4 5.5583554E+2 -5.0621232E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 01mer/vie;
|
|
|
|
SrCl2:2H2O
|
|
SrCl2:2H2O = 2.000Cl- + 1.000Sr+2 + 2.000H2O
|
|
log_k 3.467
|
|
delta_h -18.720 #kJ/mol #82wag/eva
|
|
-analytic -1.4930799E+3 -2.3924548E-1 8.2967318E+4 5.4343592E+2 -4.8973686E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 82wag/eva; V°: 01mer/vie;
|
|
|
|
SrCl2:6H2O
|
|
SrCl2:6H2O = 2.000Cl- + 1.000Sr+2 + 6.000H2O
|
|
log_k 1.613
|
|
delta_h 23.760 #kJ/mol #82wag/eva
|
|
-analytic -1.5222606E+3 -2.1973607E-1 8.1209221E+4 5.5282481E+2 -4.5263191E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; V°: 01mer/vie;
|
|
|
|
SrCl2:H2O
|
|
SrCl2:H2O = 2.000Cl- + 1.000Sr+2 + 1.000H2O
|
|
log_k 4.909
|
|
delta_h -34.090 #kJ/mol #82wag/eva
|
|
-analytic -1.5110371E+3 -2.4369397E-1 8.476637E+4 5.4976132E+2 -4.9827345E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 82wag/eva; V°: 01mer/vie;
|
|
|
|
SrCrO4
|
|
SrCrO4 = 1.000CrO4-2 + 1.000Sr+2
|
|
log_k -4.650
|
|
delta_h -10.124 #kJ/mol #Internal calculation
|
|
-analytic -1.6564001E+3 -2.6000314E-1 9.1561629E+4 5.9947533E+2 -5.4395446E+6
|
|
#References = LogK/DGf: 97smi/mar; DHf/DHr: Internal calculation; S°: 97smi/mar; V°: Default value;
|
|
|
|
SrHPO4
|
|
SrHPO4 + 1.000H+ = 1.000H2PO4- + 1.000Sr+2
|
|
log_k 0.280
|
|
delta_h -19.487 #kJ/mol #Internal calculation
|
|
-analytic -9.4351907E+2 -1.4553259E-1 5.2044061E+4 3.4175565E+2 -2.93518E+6
|
|
#References = LogK/DGf: 97smi/mar; DHf/DHr: Internal calculation; S°: 82wag/eva; V°: Default value;
|
|
|
|
SrO
|
|
SrO + 2.000H+ = 1.000Sr+2 + 1.000H2O
|
|
log_k 41.976
|
|
delta_h -244.690 #kJ/mol #98cha
|
|
-analytic -2.8441784E+2 -4.2974575E-2 2.8169134E+4 1.028893E+2 -8.7702795E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
SrS
|
|
SrS + 1.000H+ = 1.000HS- + 1.000Sr+2
|
|
log_k 14.685
|
|
delta_h -962.343 #kJ/mol #74nau/ryz
|
|
-analytic -9.4569983E+2 -1.4806553E-1 5.6587913E+4 3.4309765E+2 -3.0436461E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 74nau/ryz; S°: 82wag/eva; V°: 87pan/mah;
|
|
|
|
SrSiO3
|
|
SrSiO3 + 2.000H+ + 1.000H2O = 1.000H4SiO4 + 1.000Sr+2
|
|
log_k 13.159
|
|
delta_h -80.274 #kJ/mol #82wag/eva
|
|
-analytic -3.5235891E+2 -5.6201995E-2 2.1983027E+4 1.2882838E+2 -9.0980501E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 74nau/ryz; Cp: 74nau/ryz; V°: 94pan;
|
|
|
|
Staurolite
|
|
Fe2Al9Si4O23(OH) + 31.000H+ = 9.000Al+3 + 2.000Fe+2 + 4.000H4SiO4 + 8.000H2O
|
|
log_k 216.308
|
|
delta_h -1965.817 #kJ/mol #87woo/gar
|
|
-analytic -4.7865816E+3 -8.1014799E-1 3.360154E+5 1.7200057E+3 -1.2321298E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 87woo/gar; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Stellerite
|
|
Ca2Al4Si14O36:14H2O + 16.000H+ + 6.000H2O = 4.000Al+3 + 2.000Ca+2 + 14.000H4SiO4
|
|
log_k 6.921
|
|
delta_h -325.102 #kJ/mol #01fri/neu
|
|
-analytic -2.8517509E+3 -5.1354039E-1 1.3919701E+5 1.0501014E+3 -4.7551267E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 01fri/neu; S°: 01fri/neu; Cp: 01fri/neu; V°: 01fri/neu;
|
|
|
|
Sterlinghillite
|
|
Mn3(AsO4)2:8H2O + 4.000H+ = 2.000H2AsO4- + 3.000Mn+2 + 8.000H2O
|
|
log_k 7.417
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
Stibnite
|
|
Sb2S3 + 6.000H2O = 3.000HS- + 2.000Sb(OH)3 + 3.000H+
|
|
log_k -56.199
|
|
delta_h -2297.063 #kJ/mol #Internal calculation
|
|
-analytic -1.8531572E+3 -3.15948E-1 8.2416735E+4 6.787817E+2 -5.7665143E+6
|
|
#References = LogK/DGf: 03zot/shi; DHf/DHr: Internal calculation; S°: 03zot/shi; Cp: 03zot/shi; V°: 03zot/shi;
|
|
|
|
Stilbite
|
|
NaCa2(Al5Si13)O36:16H2O + 20.000H+ = 5.000Al+3 + 2.000Ca+2 + 1.000Na+ + 13.000H4SiO4
|
|
log_k 22.973
|
|
delta_h -434.156 #kJ/mol #01fri/neu
|
|
-analytic -3.4126235E+3 -5.9615306E-1 1.7540966E+5 1.2520542E+3 -6.4993021E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 01fri/neu; S°: 01fri/neu; Cp: 01fri/neu; V°: 01fri/neu;
|
|
|
|
Straetlingite
|
|
Ca2Al2SiO2(OH)10:2.5H2O + 10.000H+ = 2.000Al+3 + 2.000Ca+2 + 1.000H4SiO4 + 10.500H2O
|
|
log_k 49.657
|
|
delta_h -408.377 #kJ/mol #Internal calculation
|
|
-analytic -1.2612895E+3 -1.984287E-1 8.3082512E+4 4.5496862E+2 -3.0528318E+6
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 10bbla/bou; Cp: 10bbla/bou; V°: 90rin/sac;
|
|
|
|
Strengite
|
|
FePO4:2H2O + 2.000H+ = 1.000Fe+3 + 1.000H2PO4- + 2.000H2O
|
|
log_k -5.254
|
|
delta_h 64.083 #kJ/mol #Internal calculation
|
|
-analytic -1.0334682E+3 -1.6548356E-1 5.6600781E+4 3.7309523E+2 -3.1545409E+6
|
|
#References = LogK/DGf: 69wag/eva; DHf/DHr: Internal calculation; S°: 69wag/eva; Cp: 74nau/ryz,76wag/eva, 71par/wag; V°: 95rob/hem;
|
|
|
|
Strontianite
|
|
SrCO3 + 1.000H+ = 1.000HCO3- + 1.000Sr+2
|
|
log_k 1.057
|
|
delta_h -15.067 #kJ/mol #Internal calculation
|
|
-analytic -8.6448542E+2 -1.3949671E-1 4.8173953E+4 3.1423417E+2 -2.8441316E+6
|
|
#References = LogK/DGf: 84bus/plu; DHf/DHr: Internal calculation; S°: 84bus/plu; Cp: 06bla/ign; V°: 78hel/del;
|
|
|
|
Sudoite
|
|
Mg2Al4Si3O10(OH)8 + 16.000H+ = 4.000Al+3 + 2.000Mg+2 + 3.000H4SiO4 + 6.000H2O
|
|
log_k 37.933
|
|
delta_h -530.893 #kJ/mol #05vid/par
|
|
-analytic -2.6760736E+3 -4.3984416E-1 1.5858955E+5 9.65323E+2 -6.7021024E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05vid/par; S°: 05vid/par; Cp: 05vid/par; V°: 05vid/par;
|
|
|
|
Sudoite(Fe)
|
|
Fe2Al4Si3O10(OH)8 + 16.000H+ = 4.000Al+3 + 2.000Fe+2 + 3.000H4SiO4 + 6.000H2O
|
|
log_k 36.145
|
|
delta_h -519.393 #kJ/mol #98hol/pow
|
|
-analytic -2.4324526E+3 -4.153796E-1 1.4388972E+5 8.7962252E+2 -5.9322517E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98hol/pow; S°: 98hol/pow; Cp: 98hol/pow; V°: 98hol/pow;
|
|
|
|
Svanbergite
|
|
SrAl3(PO4)(SO4)(OH)6 + 8.000H+ = 3.000Al+3 + 1.000H2PO4- + 1.000SO4-2 + 1.000Sr+2 + 6.000H2O
|
|
log_k 7.739
|
|
delta_h -301.843 #kJ/mol #Internal calculation
|
|
-analytic -3.6907889E+3 -5.7946183E-1 2.1161452E+5 1.3286868E+3 -1.1219514E+7
|
|
#References = LogK/DGf: 04gab/vie; DHf/DHr: Internal calculation; S°: 04gab/vie; Cp: 04gab/vie; V°: 04gab/vie;
|
|
|
|
Sylvite
|
|
KCl = 1.000Cl- + 1.000K+
|
|
log_k 0.872
|
|
delta_h 17.460 #kJ/mol #98cha
|
|
-analytic -6.8750815E+2 -1.1145992E-1 3.7309655E+4 2.5158377E+2 -2.3159598E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 78hel/del, 98cha; Cp: 98cha; V°: 78hel/del;
|
|
|
|
Symplesite
|
|
Fe3(AsO4)2:8H2O + 4.000H+ = 2.000H2AsO4- + 3.000Fe+2 + 8.000H2O
|
|
log_k -1.573
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
Syngenite
|
|
K2Ca(SO4)2:6H2O = 1.000Ca+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O
|
|
log_k -7.452
|
|
#References = LogK/DGf: 84har/mol;
|
|
#References = LogK/DGf: 84har/mol; V°: 63wyc;
|
|
|
|
Szomolnokite
|
|
FeSO4:H2O = 1.000Fe+2 + 1.000SO4-2 + 1.000H2O
|
|
log_k -1.658
|
|
delta_h -41.470 #kJ/mol #02hem/sea
|
|
-analytic -1.6955273E+3 -2.6125135E-1 9.490602E+4 6.1222859E+2 -5.4647229E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: 95rob/hem;
|
|
|
|
Tachyhydrite
|
|
Mg2CaCl6:12H2O = 1.000Ca+2 + 6.000Cl- + 2.000Mg+2 + 12.000H2O
|
|
log_k 17.376
|
|
#References = LogK/DGf: 84har/mol;
|
|
#References = LogK/DGf: 84har/mol; V°: 63wyc;
|
|
|
|
Talc
|
|
Mg3Si4O10(OH)2 + 6.000H+ + 4.000H2O = 3.000Mg+2 + 4.000H4SiO4
|
|
log_k 24.916
|
|
delta_h -210.357 #kJ/mol #01kal/mar
|
|
-analytic -1.2497443E+3 -2.0462605E-1 7.0220532E+4 4.5697454E+2 -2.7205664E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 01kal/mar; S°: 63rob/sto; Cp: 79kru/rob; V°: 78hel/del;
|
|
|
|
Tarbuttite
|
|
Zn2(PO4)OH + 3.000H+ = 1.000H2PO4- + 2.000Zn+2 + 1.000H2O
|
|
log_k 8.256
|
|
#References = LogK/DGf: 84nri;
|
|
#References = LogK/DGf: 84nri; V°: 63wyc;
|
|
|
|
Tenorite
|
|
CuO + 2.000H+ = 1.000Cu+2 + 1.000H2O
|
|
log_k 7.640
|
|
delta_h -64.396 #kJ/mol #Internal calculation
|
|
-analytic -3.1549585E+2 -4.8140447E-2 1.9607705E+4 1.1373828E+2 -8.6350264E+5
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 98cha; Cp: 98cha; V°: 84pan;
|
|
|
|
Thaumasite
|
|
CaSiO3CaSO4CaCO3:15H2O + 3.000H+ = 1.000HCO3- + 3.000Ca+2 + 1.000SO4-2 + 1.000H4SiO4 + 14.000H2O
|
|
log_k 10.296
|
|
delta_h -9.040 #kJ/mol #Internal calculation
|
|
-analytic -2.4736517E+3 -3.9242372E-1 1.3324475E+5 9.047091E+2 -7.5204153E+6
|
|
#References = LogK/DGf: 10bbla/bou; DHf/DHr: Internal calculation; S°: 08sch/lot; Cp: 08sch/lot; V°: 10bbla/bou;
|
|
|
|
Thenardite
|
|
Na2SO4 = 2.000Na+ + 1.000SO4-2
|
|
log_k -0.340
|
|
delta_h -2.461 #kJ/mol #98cha
|
|
-analytic -1.6163303E+3 -2.5323968E-1 8.9803215E+4 5.8641469E+2 -5.4004941E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Thermonatrite
|
|
Na2CO3:H2O + 1.000H+ = 1.000HCO3- + 2.000Na+ + 1.000H2O
|
|
log_k 10.807
|
|
delta_h -26.740 #kJ/mol #82van
|
|
-analytic -8.2978986E+2 -1.2422097E-1 4.7349571E+4 3.0256364E+2 -2.6536666E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 82van; S°: Internal calculation; Cp: 82van; V°: 95rob/hem;
|
|
|
|
Thorianite
|
|
ThO2 + 4.000H+ = 1.000Th+4 + 2.000H2O
|
|
log_k 1.759
|
|
delta_h -113.777 #kJ/mol #89cox/wag
|
|
-analytic -5.2134077E+2 -8.5708486E-2 2.9799614E+4 1.8631453E+2 -1.0949333E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 91kna/kub; V°: 95rob/hem;
|
|
|
|
Titanite
|
|
CaTiSiO5 + 2.000H+ + 3.000H2O = 1.000Ca+2 + 1.000H4SiO4 + 1.000Ti(OH)4
|
|
log_k 0.986
|
|
delta_h -63.035 #kJ/mol #Internal calculation
|
|
-analytic -8.3409218E+2 -9.5034928E-2 4.3928881E+4 2.9662305E+2 -1.5911643E+6
|
|
#References = LogK/DGf: 78rob/hem,92cjoh; DHf/DHr: Internal calculation; S°: 78rob/hem,92cjoh; Cp: 78rob/hem,92cjoh; V°: 78rob/hem,92cjoh;
|
|
|
|
Tobermorite(11A)
|
|
Ca5Si6H11O22.5 + 10.000H+ + 1.500H2O = 5.000Ca+2 + 6.000H4SiO4
|
|
log_k 65.580
|
|
delta_h -372.500 #kJ/mol #00zue/feh
|
|
-analytic -1.6243549E+3 -2.6787181E-1 9.6822379E+4 5.9990347E+2 -3.4992477E+6
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 00zue/feh; S°: Internal calculation; Cp: 10abla/bou; V°: 00mer/bon;
|
|
|
|
Tobermorite(14A)
|
|
Ca5Si6H21O27.5 + 10.000H+ = 5.000Ca+2 + 6.000H4SiO4 + 3.500H2O
|
|
log_k 62.939
|
|
delta_h -307.420 #kJ/mol #10abla/bou
|
|
-analytic -1.5237542E+3 -2.447415E-1 8.8032255E+4 5.6529749E+2 -3.0571055E+6
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 10abla/bou;
|
|
|
|
Tremolite
|
|
(Ca2Mg5)Si8O22(OH)2 + 14.000H+ + 8.000H2O = 2.000Ca+2 + 5.000Mg+2 + 8.000H4SiO4
|
|
log_k 67.249
|
|
delta_h -520.914 #kJ/mol #95rob/hem
|
|
-analytic -2.7390654E+3 -4.5144381E-1 1.5810894E+5 1.0021641E+3 -6.1494397E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 95rob/hem; S°: 95rob/hem; Cp: 95rob/hem; V°: 78hel/del,92ajoh;
|
|
|
|
Troilite
|
|
FeS + 1.000H+ = 1.000Fe+2 + 1.000HS-
|
|
log_k -3.874
|
|
delta_h -874.952 #kJ/mol #05wal/pel
|
|
-analytic -1.1310906E+3 -1.822577E-1 6.1072903E+4 4.1081089E+2 -3.5386318E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05wal/pel; S°: 05wal/pel; Cp: 05wal/pel; V°: 63wyc;
|
|
|
|
Trona(K)
|
|
K2NaH(CO3)2:2H2O + 1.000H+ = 2.000HCO3- + 2.000K+ + 1.000Na+ + 2.000H2O
|
|
log_k 11.553
|
|
#References = LogK/DGf: 84har/mol;
|
|
#References = LogK/DGf: 84har/mol; V°: Default value;
|
|
|
|
Trona(Na)
|
|
Na3H(CO3)2:2H2O + 1.000H+ = 2.000HCO3- + 3.000Na+ + 2.000H2O
|
|
log_k 9.273
|
|
delta_h 9.560 #kJ/mol #82van
|
|
-analytic -1.5229698E+3 -2.2969604E-1 8.3727672E+4 5.5556062E+2 -4.8709595E+6
|
|
#References = LogK/DGf: 84har/mol; DHf/DHr: 82van; S°: Internal calculation; Cp: 82van; V°: 95rob/hem;
|
|
|
|
Truscottite
|
|
Ca7Si12O29(OH)4:H2O + 14.000H+ + 14.000H2O = 7.000Ca+2 + 12.000H4SiO4
|
|
log_k 77.088
|
|
delta_h -479.092 #kJ/mol #10abla/bou
|
|
-analytic -2.573506E+3 -4.3832078E-1 1.450533E+5 9.5161333E+2 -5.3280247E+6
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 10abla/bou; S°: Internal calculation; Cp: 10abla/bou; V°: 95ant/bid;
|
|
|
|
Tsumebite
|
|
Pb2Cu(PO4)(SO4)OH + 3.000H+ = 1.000Cu+2 + 1.000H2PO4- + 2.000Pb+2 + 1.000SO4-2 + 1.000H2O
|
|
log_k -66.025
|
|
#References = LogK/DGf: 78ric/nri;
|
|
#References = LogK/DGf: 78ric/nri; V°: 63wyc;
|
|
|
|
U3O8
|
|
U3O8 + 4.000H+ = 2.000UO2+ + 1.000UO2+2 + 2.000H2O
|
|
log_k -3.599
|
|
delta_h -333.921 #kJ/mol #89cox/wag
|
|
-analytic -5.9578031E+2 -1.0007877E-1 3.5429929E+4 2.1240963E+2 -1.9917555E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89bar/sau; V°: 95rob/hem;
|
|
|
|
Ulvospinel
|
|
Fe2TiO4 + 4.000H+ = 2.000Fe+2 + 1.000Ti(OH)4
|
|
log_k 16.405
|
|
delta_h -201.464 #kJ/mol #Internal calculation
|
|
-analytic -1.119804E+3 -1.335895E-1 6.8782959E+4 3.9491641E+2 -2.8317374E+6
|
|
#References = LogK/DGf: 95rob/hem; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
UO3(gamma)
|
|
UO3 + 2.000H+ = 1.000UO2+2 + 1.000H2O
|
|
log_k 7.711
|
|
delta_h -81.129 #kJ/mol #89cox/wag
|
|
-analytic -2.0467744E+2 -3.6004832E-2 1.3267577E+4 7.3980565E+1 -3.9440265E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 95rob/hem;
|
|
|
|
Uraninite
|
|
UO2 + 4.000H+ = 1.000U+4 + 2.000H2O
|
|
log_k -4.842
|
|
delta_h -213.866 #kJ/mol #Internal calculation
|
|
-analytic -5.2469868E+2 -8.6296615E-2 2.8066957E+4 1.8745581E+2 -1.1020781E+6
|
|
#References = LogK/DGf: 97csho/sas; DHf/DHr: Internal calculation; S°: 97csho/sas; Cp: 97csho/sas; V°: 95rob/hem;
|
|
|
|
Valentinite
|
|
Sb2O3 + 3.000H2O = 2.000Sb(OH)3
|
|
log_k -8.512
|
|
delta_h 57.242 #kJ/mol #Internal calculation
|
|
-analytic 1.1956057E+2 7.278992E-3 -1.3997644E+4 -3.8222275E+1 1.0030841E+6
|
|
#References = LogK/DGf: 03zot/shi; DHf/DHr: Internal calculation; S°: 03zot/shi; Cp: 03zot/shi; V°: 03zot/shi;
|
|
|
|
Variscite
|
|
AlPO4:2H2O + 2.000H+ = 1.000Al+3 + 1.000H2PO4- + 2.000H2O
|
|
log_k -2.160
|
|
delta_h -59.250 #kJ/mol #Internal calculation
|
|
-analytic -1.0269597E+3 -1.6683393E-1 5.7502935E+4 3.7069509E+2 -3.1633237E+6
|
|
#References = LogK/DGf: 74nau/ryz; DHf/DHr: Internal calculation; S°: 66ega/wak; Cp: 74nau/ryz; V°: 63wyc;
|
|
|
|
Vaterite
|
|
CaCO3 + 1.000H+ = 1.000HCO3- + 1.000Ca+2
|
|
log_k 2.427
|
|
delta_h -29.630 #kJ/mol #87gar/par
|
|
-analytic -8.8571848E+2 -1.3868773E-1 4.9073707E+4 3.2146058E+2 -2.7141208E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 87gar/par; S°: 87gar/par; V°: 95rob/hem;
|
|
|
|
VermiculiteSO
|
|
Ca0.445(Si2.778Al1.222)(Al0.216Mg2.475Fe0.254)O10(OH)2 + 10.888H+ = 1.438Al+3 + 0.445Ca+2 + 0.226Fe+3 + 2.475Mg+2 + 2.778H4SiO4 + 0.028Fe+2 + 0.888H2O
|
|
log_k 45.888
|
|
delta_h -441.531 #kJ/mol #13gai/bla
|
|
-analytic -1.9223485E+3 -3.1254347E-1 1.1864607E+5 6.9416321E+2 -4.8163495E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 13gai/bla; S°: 13gai/bla; Cp: 13gai/bla; V°: 13gai/bla;
|
|
|
|
Vermiculite(Ca)
|
|
Ca0.43Mg3.00Si3.14Al0.86O10(OH)2 + 9.440H+ + 0.560H2O = 0.860Al+3 + 0.430Ca+2 + 3.000Mg+2 + 3.140H4SiO4
|
|
log_k 39.547
|
|
delta_h -377.539 #kJ/mol #15bla/vie
|
|
-analytic -1.7433973E+3 -2.7353854E-1 1.0659164E+5 6.2916221E+2 -4.4296492E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Vermiculite(K)
|
|
K0.86Mg3.00Si3.14Al0.86O10(OH)2 + 9.440H+ + 0.560H2O = 0.860Al+3 + 0.860K+ + 3.000Mg+2 + 3.140H4SiO4
|
|
log_k 37.445
|
|
delta_h -335.540 #kJ/mol #15bla/vie
|
|
-analytic -1.6936279E+3 -2.6466982E-1 1.0232437E+5 6.1244388E+2 -4.3260939E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Vermiculite(Mg)
|
|
Mg0.43Mg3.00Si3.14Al0.86O10(OH)2 + 9.440H+ + 0.560H2O = 0.860Al+3 + 3.430Mg+2 + 3.140H4SiO4
|
|
log_k 38.042
|
|
delta_h -379.809 #kJ/mol #15bla/vie
|
|
-analytic -1.7824468E+3 -2.7812893E-1 1.08797E+5 6.4242701E+2 -4.5457841E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Vermiculite(Na)
|
|
Na0.86Mg3.00Si3.14Al0.86O10(OH)2 + 9.440H+ + 0.560H2O = 0.860Al+3 + 3.000Mg+2 + 0.860Na+ + 3.140H4SiO4
|
|
log_k 38.389
|
|
delta_h -355.542 #kJ/mol #15bla/vie
|
|
-analytic -1.7445392E+3 -2.6999731E-1 1.0598044E+5 6.2966633E+2 -4.4535832E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 15bla/vie; S°: 15bla/vie; Cp: 15bla/vie; V°: 15bla/vie;
|
|
|
|
Vivianite
|
|
Fe3(PO4)2:8H2O + 4.000H+ = 3.000Fe+2 + 2.000H2PO4- + 8.000H2O
|
|
log_k -3.283
|
|
#References = LogK/DGf: 94alb/tom;
|
|
#References = LogK/DGf: 94alb/tom; V°: 63wyc;
|
|
|
|
Voltaite
|
|
K2Fe9(SO4)12:18H2O = 5.000Fe+2 + 2.000K+ + 12.000SO4-2 + 4.000Fe+3 + 18.000H2O
|
|
log_k -38.258
|
|
delta_h 48.226 #kJ/mol #02hem/sea
|
|
-analytic -2.0701974E+4 -3.1805283E+0 1.147179E+6 7.4793303E+3 -6.6028469E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 02hem/sea; S°: 02hem/sea; V°: Default value;
|
|
|
|
Vysotskite
|
|
PdS + 1.000H+ = 1.000Pd+2 + 1.000HS-
|
|
log_k -44.806
|
|
delta_h -636.207 #kJ/mol #Internal calculation
|
|
-analytic -9.6499267E+2 -1.5521681E-1 3.9896865E+4 3.5036381E+2 -3.049251E+6
|
|
#References = LogK/DGf: 98sas/sho; DHf/DHr: Internal calculation; S°: 98sas/sho; Cp: 98sas/sho; V°: 98sas/sho;
|
|
|
|
Wairakite
|
|
Ca(Al2Si4)O12:2H2O + 8.000H+ + 2.000H2O = 2.000Al+3 + 1.000Ca+2 + 4.000H4SiO4
|
|
log_k 14.425
|
|
delta_h -246.217 #kJ/mol #96kis/nav
|
|
-analytic -1.4045591E+3 -2.446591E-1 7.782647E+4 5.1134281E+2 -3.0567161E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 96kis/nav; S°: 96kis/nav; Cp: 07neu/wan; V°: 97coo/alb;
|
|
|
|
Wavellite
|
|
Al3(PO4)2(OH)3:5H2O + 7.000H+ = 3.000Al+3 + 2.000H2PO4- + 8.000H2O
|
|
log_k 12.147
|
|
#References = LogK/DGf: 79vie/tar;
|
|
#References = LogK/DGf: 79vie/tar; V°: 63wyc;
|
|
|
|
Waylandite
|
|
BiAl3(PO4)2(OH)6 + 10.000H+ = 3.000Al+3 + 1.000Bi+3 + 2.000H2PO4- + 6.000H2O
|
|
log_k 10.919
|
|
#References = LogK/DGf: 04gab/vie;
|
|
#References = LogK/DGf: 04gab/vie; V°: Default value;
|
|
|
|
Weillite
|
|
CaHAsO4 + 1.000H+ = 1.000H2AsO4- + 1.000Ca+2
|
|
log_k 2.360
|
|
#References = LogK/DGf: 01gas/aza;
|
|
#References = LogK/DGf: 01gas/aza; V°: 00bla/bid;
|
|
|
|
Westerveldite
|
|
FeAs + 2.000H+ + 0.500H2O = 1.000AsH3 + 1.000Fe+2 + 0.250O2
|
|
log_k -30.679
|
|
delta_h -791.989 #kJ/mol #Internal calculation
|
|
-analytic -1.4444745E+2 -2.2174141E-2 -2.6539329E+3 5.2861713E+1 -1.3528589E+5
|
|
#References = LogK/DGf: 08per/pok; DHf/DHr: Internal calculation; S°: 08per/pok; Cp: 08per/pok; V°: 08per/pok;
|
|
|
|
Whitlockite(high)
|
|
Ca3(PO4)2 + 4.000H+ = 3.000Ca+2 + 2.000H2PO4-
|
|
log_k 10.120
|
|
delta_h -124.730 #kJ/mol #Internal calculation
|
|
-analytic -1.9939263E+3 -3.2962076E-1 1.1275229E+5 7.2498498E+2 -6.2028438E+6
|
|
#References = LogK/DGf: 84nan; DHf/DHr: Internal calculation; S°: 84nan; Cp: 60kel; V°: 95rob/hem;
|
|
|
|
Whitlockite(low)
|
|
Ca3(PO4)2 + 4.000H+ = 3.000Ca+2 + 2.000H2PO4-
|
|
log_k 8.393
|
|
delta_h -113.380 #kJ/mol #71par/wag
|
|
-analytic -1.9877501E+3 -3.2533291E-1 1.1250393E+5 7.2186031E+2 -6.2576891E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 71par/wag; S°: 71par/wag; Cp: 60kel; V°: 95rob/hem;
|
|
|
|
Wollastonite
|
|
CaSiO3 + 2.000H+ + 1.000H2O = 1.000Ca+2 + 1.000H4SiO4
|
|
log_k 14.043
|
|
delta_h -88.320 #kJ/mol #78hel/del,92ajoh
|
|
-analytic -3.2608155E+2 -5.6196709E-2 2.0008233E+4 1.2035952E+2 -7.1562503E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 78hel/del,92ajoh; S°: 78hel/del,92ajoh; Cp: 78hel/del,92ajoh; V°: 78hel/del,92ajoh;
|
|
|
|
Woodhouseite
|
|
CaAl3(PO4)(SO4)(OH)6 + 8.000H+ = 3.000Al+3 + 1.000Ca+2 + 1.000H2PO4- + 1.000SO4-2 + 6.000H2O
|
|
log_k 8.885
|
|
#References = LogK/DGf: 04gab/vie;
|
|
#References = LogK/DGf: 04gab/vie; V°: Default value;
|
|
|
|
Wurtzite
|
|
ZnS + 1.000H+ = 1.000HS- + 1.000Zn+2
|
|
log_k -9.189
|
|
delta_h -846.573 #kJ/mol #Internal calculation
|
|
-analytic -9.7140841E+2 -1.5442444E-1 5.149764E+4 3.5177515E+2 -3.1030568E+6
|
|
#References = LogK/DGf: 78hel/del; DHf/DHr: Internal calculation; S°: 78hel/del; Cp: 78hel/del; V°: 78hel/del;
|
|
|
|
Wustite
|
|
Fe0.947O + 2.000H+ = 0.841Fe+2 + 0.106Fe+3 + 1.000H2O
|
|
log_k 12.238
|
|
delta_h -89.963 #kJ/mol #98cha
|
|
-analytic -3.1290545E+2 -4.8807168E-2 2.1464713E+4 1.1226518E+2 -8.9695966E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 95rob/hem;
|
|
|
|
Xonotlite
|
|
Ca6Si6O17(OH)2 + 12.000H+ + 5.000H2O = 6.000Ca+2 + 6.000H4SiO4
|
|
log_k 91.342
|
|
delta_h -573.865 #kJ/mol #56new
|
|
-analytic -1.9705197E+3 -3.2969573E-1 1.2545995E+5 7.2395722E+2 -4.6242043E+6
|
|
#References = LogK/DGf: 10abla/bou; DHf/DHr: 56new; S°: Internal calculation; Cp: 10abla/bou; V°: 56den/tay;
|
|
|
|
Yavapaiite
|
|
KFe(SO4)2 = 1.000Fe+3 + 1.000K+ + 2.000SO4-2
|
|
log_k -5.569
|
|
delta_h 21.862 #kJ/mol #05for/dro
|
|
-analytic -3.3189879E+3 -5.2021513E-1 1.8590243E+5 1.1990955E+3 -1.0852329E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 05for/dro; S°: 05for/dro; V°: 90rob/cam;
|
|
|
|
Zairite
|
|
BiFe3(PO4)2(OH)6 + 10.000H+ = 1.000Bi+3 + 3.000Fe+3 + 2.000H2PO4- + 6.000H2O
|
|
log_k -3.689
|
|
#References = LogK/DGf: 04gab/vie;
|
|
#References = LogK/DGf: 04gab/vie; V°: Default value;
|
|
|
|
ZeoliteP(Ca)
|
|
Ca2Al4Si4O16:9H2O + 16.000H+ = 4.000Al+3 + 2.000Ca+2 + 4.000H4SiO4 + 9.000H2O
|
|
log_k 45.147
|
|
delta_h -527.740 #kJ/mol #10bbla/bou
|
|
-analytic -2.3199815E+3 -3.836539E-1 1.3966093E+5 8.3827025E+2 -5.6140691E+6
|
|
#References = LogK/DGf: 08bla; DHf/DHr: 10bbla/bou; S°: Internal calculation; Cp: 10vie; V°: 97coo/alb;
|
|
|
|
Zincite
|
|
ZnO + 2.000H+ = 1.000Zn+2 + 1.000H2O
|
|
log_k 11.206
|
|
delta_h -88.806 #kJ/mol #89cox/wag
|
|
-analytic -3.2526377E+2 -4.911508E-2 2.1606424E+4 1.168152E+2 -9.2509648E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Zn3(PO4)2
|
|
Zn3(PO4)2 + 4.000H+ = 2.000H2PO4- + 3.000Zn+2
|
|
log_k 14.495
|
|
delta_h -165.908 #kJ/mol #84vie/tar, after 74avol/yag
|
|
-analytic -2.304674E+3 -3.5529749E-1 1.3202677E+5 8.3298516E+2 -7.0125306E+6
|
|
#References = LogK/DGf: 84vie/tar,after 78yag; DHf/DHr: 84vie/tar, after 74avol/yag; S°: Internal calculation; V°: Default value;
|
|
|
|
Zn3(PO4)2:2H2O
|
|
Zn3(PO4)2:2H2O + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 + 2.000H2O
|
|
log_k 8.254
|
|
delta_h -120.868 #kJ/mol #84vie/tar, after 78yag
|
|
-analytic -2.3140709E+3 -3.4906406E-1 1.2978032E+5 8.359872E+2 -6.887737E+6
|
|
#References = LogK/DGf: 84vie/tar,after 78yag; DHf/DHr: 84vie/tar, after 78yag; S°: Internal calculation; V°: Default value;
|
|
|
|
Zn3(PO4)2:H2O
|
|
Zn3(PO4)2:H2O + 4.000H+ = 2.000H2PO4- + 3.000Zn+2 + 1.000H2O
|
|
log_k 10.927
|
|
delta_h -139.638 #kJ/mol #84vie/tar, after 78yag
|
|
-analytic -2.3091622E+3 -3.5218077E-1 1.3070767E+5 8.3448618E+2 -6.9501338E+6
|
|
#References = LogK/DGf: 84vie/tar,after 78yag; DHf/DHr: 84vie/tar, after 78yag; S°: Internal calculation; V°: Default value;
|
|
|
|
Zn5(PO4)3Cl
|
|
Zn5(PO4)3Cl + 6.000H+ = 1.000Cl- + 3.000H2PO4- + 5.000Zn+2
|
|
log_k 24.888
|
|
#References = LogK/DGf: 76nri;
|
|
#References = LogK/DGf: 76nri; V°: Default value;
|
|
|
|
Zn5(PO4)3OH
|
|
Zn5(PO4)3OH + 7.000H+ = 3.000H2PO4- + 5.000Zn+2 + 1.000H2O
|
|
log_k 13.220
|
|
#References = LogK/DGf: 84nri;
|
|
#References = LogK/DGf: 84nri; V°: Default value;
|
|
|
|
ZnHPO4
|
|
ZnHPO4 + 1.000H+ = 1.000H2PO4- + 1.000Zn+2
|
|
log_k -2.324
|
|
delta_h -80.083 #kJ/mol #Internal calculation
|
|
-analytic -9.9029785E+2 -1.5078022E-1 5.6709636E+4 3.5416085E+2 -2.9889752E+6
|
|
#References = LogK/DGf: 06pia/bod; DHf/DHr: Internal calculation; S°: 78hel/del,92ajoh; V°: Default value;
|
|
|
|
ZnSiO3glass
|
|
ZnSiO3 + 2.000H+ + 1.000H2O = 1.000H4SiO4 + 1.000Zn+2
|
|
log_k 1.760
|
|
delta_h -91.675 #kJ/mol #Internal calculation
|
|
-analytic -4.6229816E+2 -6.6648079E-2 2.7115855E+4 1.6360517E+2 -1.0532576E+6
|
|
#References = LogK/DGf: 92plo/wic; DHf/DHr: Internal calculation; S°: 95rob/hem; V°: Default value;
|
|
|
|
Zoisite
|
|
Ca2Al3Si3O12(OH) + 13.000H+ = 3.000Al+3 + 2.000Ca+2 + 3.000H4SiO4 + 1.000H2O
|
|
log_k 43.830
|
|
delta_h -492.113 #kJ/mol #01sme/fra
|
|
-analytic -2.0153884E+3 -3.4381262E-1 1.2267663E+5 7.29736E+2 -4.9262375E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 01sme/fra; S°: 04got; Cp: 04got; V°: 04got;
|
|
|
|
Tl2O
|
|
Tl2O + 2.000H+ = 2.000Tl+ + 1.000H2O
|
|
log_k 27.770
|
|
delta_h -106.097 #kJ/mol #84pan/stu
|
|
-analytic -1.3779969E+2 -1.8256508E-2 1.4686438E+4 5.1948012E+1 -6.0337941E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu;
|
|
|
|
Tl2O3
|
|
Tl2O3 + 6.000H+ = 2.000Tl+3 + 3.000H2O
|
|
log_k -5.208
|
|
delta_h 107.287 #kJ/mol #84pan/stu
|
|
-analytic -7.7868005E+2 -1.2475717E-1 4.0987774E+4 2.80279E+2 -1.8078453E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu;
|
|
|
|
Tl2S
|
|
Tl2S + 1.000H+ = 1.000HS- + 2.000Tl+
|
|
log_k -7.145
|
|
delta_h -782.325 #kJ/mol #84pan/stu
|
|
-analytic -7.7799341E+2 -1.2228162E-1 3.9977829E+4 2.8460894E+2 -2.7580346E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu;
|
|
|
|
Doralcharite
|
|
TlFe3(SO4)2(OH)6 + 6.000H+ = 3.000Fe+3 + 2.000SO4-2 + 1.000Tl+ + 6.000H2O
|
|
log_k -2.229
|
|
delta_h 65.735 #kJ/mol #09xio
|
|
-analytic -4.1086384E+3 -6.5737596E-1 2.3484562E+5 1.4809988E+3 -1.332554E+7
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 09xio; S°: 09xio; Cp: 84pan/stu; V°: 84pan/stu;
|
|
|
|
Lammuchangite
|
|
TlAl(SO4)2:12H2O = 1.000Al+3 + 2.000SO4-2 + 1.000Tl+ + 12.000H2O
|
|
log_k -16.502
|
|
delta_h 37.510 #kJ/mol #09xio
|
|
-analytic -2.9379292E+3 -4.6277286E-1 1.6058528E+5 1.0634207E+3 -9.828777E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 09xio; S°: 09xio; Cp: 84pan/stu; V°: 84pan/stu;
|
|
|
|
TlOH
|
|
TlOH + 1.000H+ = 1.000Tl+ + 1.000H2O
|
|
log_k 12.898
|
|
delta_h -41.580 #kJ/mol #82wag/eva
|
|
-analytic -6.5037615E+1 -6.465787E-3 6.5645382E+3 2.4588317E+1 -2.6637801E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 82wag/eva; V°: 17abla;
|
|
|
|
Tl2SO4
|
|
Tl2SO4 = 1.000SO4-2 + 2.000Tl+
|
|
log_k -3.841
|
|
delta_h 33.555 #kJ/mol #84pan/stu
|
|
-analytic -1.4949834E+3 -2.3643404E-1 8.2536057E+4 5.429417E+2 -5.215045E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu;
|
|
|
|
Tl2CO3
|
|
Tl2CO3 + 1.000H+ = 1.000HCO3- + 2.000Tl+
|
|
log_k 6.531
|
|
delta_h 20.627 #kJ/mol #84pan/stu
|
|
-analytic -7.2446132E+2 -1.1510594E-1 3.9839149E+4 2.665531E+2 -2.4782164E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu;
|
|
|
|
Tl(OH)3
|
|
Tl(OH)3 + 3.000H+ = 1.000Tl+3 + 3.000H2O
|
|
log_k -1.821
|
|
#References = LogK/DGf: 52lat;
|
|
#References = LogK/DGf: 52lat; V°: Default value;
|
|
|
|
MSH06
|
|
Mg0.82SiO2.385(OH)0.87 + 1.640H+ + 0.745H2O = 0.820Mg+2 + 1.000H4SiO4
|
|
log_k 9.120
|
|
delta_h -71.083 #kJ/mol #Internal calculation
|
|
-analytic -3.5739156E+2 -5.4264042E-2 2.1203118E+4 1.2966146E+2 -8.2349206E+5
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
MSH12
|
|
Mg1.07SiO2.075(OH)1.99 + 2.140H+ = 1.070Mg+2 + 1.000H4SiO4 + 0.065H2O
|
|
log_k 12.730
|
|
delta_h -83.582 #kJ/mol #Internal calculation
|
|
-analytic -4.4363918E+2 -6.5039211E-2 2.6374842E+4 1.6120704E+2 -1.0309293E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.7SH
|
|
Ca1.4Si2O5.9496H1.0992:1.378H2O + 2.800H+ + 0.6724H2O = 1.400Ca+2 + 2.000H4SiO4
|
|
log_k 17.730
|
|
delta_h -102.902 #kJ/mol #Internal calculation
|
|
-analytic -4.5480973E+2 -7.5079405E-2 2.6613555E+4 1.6810221E+2 -9.1522423E+5
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.8SH
|
|
Ca1.6Si2O6.1698H1.1396:1.6122H2O + 3.200H+ + 0.218H2O = 1.600Ca+2 + 2.000H4SiO4
|
|
log_k 21.800
|
|
delta_h -126.127 #kJ/mol #Internal calculation
|
|
-analytic -5.0535129E+2 -8.2688453E-2 3.042881E+4 1.8652259E+2 -1.0482162E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.9SH
|
|
Ca1.8Si2O6.4048H1.2096:1.7014H2O + 3.600H+ = 1.800Ca+2 + 2.000H4SiO4 + 0.1062H2O
|
|
log_k 25.448
|
|
delta_h -147.603 #kJ/mol #Internal calculation
|
|
-analytic -5.5886361E+2 -9.0915164E-2 3.4314441E+4 2.0600546E+2 -1.1929862E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1SH
|
|
Ca2Si2O6.6436H1.2872:1.7542H2O + 4.000H+ = 2.000Ca+2 + 2.000H4SiO4 + 0.3978H2O
|
|
log_k 29.464
|
|
delta_h -171.346 #kJ/mol #Internal calculation
|
|
-analytic -6.1312207E+2 -9.9296646E-2 3.8359056E+4 2.2575524E+2 -1.3407073E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.1SH
|
|
Ca2.2Si2O6.8821H1.3642:1.867H2O + 4.400H+ = 2.200Ca+2 + 2.000H4SiO4 + 0.7491H2O
|
|
log_k 33.727
|
|
delta_h -196.114 #kJ/mol #Internal calculation
|
|
-analytic -6.6617853E+2 -1.0740309E-1 4.2391199E+4 2.450789E+2 -1.4831689E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.2SH
|
|
Ca2.4Si2O7.1203H1.4406:2.0692H2O + 4.800H+ = 2.400Ca+2 + 2.000H4SiO4 + 1.1895H2O
|
|
log_k 37.938
|
|
delta_h -220.008 #kJ/mol #Internal calculation
|
|
-analytic -7.1744469E+2 -1.1509923E-1 4.6279348E+4 2.6376796E+2 -1.6177839E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.3SH
|
|
Ca2.6Si2O7.3957H1.5914:2.1702H2O + 5.200H+ = 2.600Ca+2 + 2.000H4SiO4 + 1.5659H2O
|
|
log_k 42.397
|
|
delta_h -245.273 #kJ/mol #Internal calculation
|
|
-analytic -7.7091003E+2 -1.2313669E-1 5.0356075E+4 2.8326094E+2 -1.7588389E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.4SH
|
|
Ca2.8Si2O7.687H1.774:2.2274H2O + 5.600H+ = 2.800Ca+2 + 2.000H4SiO4 + 1.9144H2O
|
|
log_k 46.925
|
|
delta_h -270.917 #kJ/mol #Internal calculation
|
|
-analytic -8.2532625E+2 -1.3132256E-1 5.4503203E+4 3.0310139E+2 -1.9026944E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.5SH
|
|
Ca3Si2O7.9783H1.9566:2.2848H2O + 6.000H+ = 3.000Ca+2 + 2.000H4SiO4 + 2.2631H2O
|
|
log_k 51.447
|
|
delta_h -296.525 #kJ/mol #Internal calculation
|
|
-analytic -8.7973847E+2 -1.395075E-1 5.8648226E+4 3.2294042E+2 -2.0465323E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.6SH
|
|
Ca3.2Si2O8.2682H2.1364:2.3446H2O + 6.400H+ = 3.200Ca+2 + 2.000H4SiO4 + 2.6128H2O
|
|
log_k 55.941
|
|
delta_h -321.982 #kJ/mol #Internal calculation
|
|
-analytic -8.3735546E+2 -1.3511831E-1 5.7036948E+4 3.0831552E+2 -1.8336474E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.7A0.01SH
|
|
Ca1.4Al0.04Si2O6.0128H1.1056:1.4156H2O + 2.920H+ + 0.5716H2O = 0.040Al+3 + 1.400Ca+2 + 2.000H4SiO4
|
|
log_k 17.999
|
|
delta_h -108.203 #kJ/mol #Internal calculation
|
|
-analytic -4.699089E+2 -7.7782293E-2 2.7654279E+4 1.7344013E+2 -9.6187107E+5
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.8A0.01SH
|
|
Ca1.6Al0.04Si2O6.2343H1.1486:1.63H2O + 3.320H+ + 0.1357H2O = 0.040Al+3 + 1.600Ca+2 + 2.000H4SiO4
|
|
log_k 21.633
|
|
delta_h -129.042 #kJ/mol #Internal calculation
|
|
-analytic -5.2085275E+2 -8.5478093E-2 3.1366908E+4 1.9200393E+2 -1.0965191E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.9A0.01SH
|
|
Ca1.8Al0.04Si2O6.4696H1.2192:1.708H2O + 3.720H+ = 0.040Al+3 + 1.800Ca+2 + 2.000H4SiO4 + 0.1776H2O
|
|
log_k 25.654
|
|
delta_h -152.713 #kJ/mol #Internal calculation
|
|
-analytic -5.7459058E+2 -9.3755329E-2 3.537949E+4 2.1156691E+2 -1.2422548E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1A0.01SH
|
|
Ca2Al0.04Si2O6.7077H1.2954:1.7598H2O + 4.120H+ = 0.040Al+3 + 2.000Ca+2 + 2.000H4SiO4 + 0.4675H2O
|
|
log_k 29.973
|
|
delta_h -178.207 #kJ/mol #Internal calculation
|
|
-analytic -6.2886578E+2 -1.0214375E-1 3.9516599E+4 2.3132216E+2 -1.3901103E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.1A0.01SH
|
|
Ca2.2Al0.04Si2O6.9455H1.371:1.885H2O + 4.520H+ = 0.040Al+3 + 2.200Ca+2 + 2.000H4SiO4 + 0.8305H2O
|
|
log_k 34.274
|
|
delta_h -203.124 #kJ/mol #Internal calculation
|
|
-analytic -6.8167084E+2 -1.1019548E-1 4.3542779E+4 2.5055626E+2 -1.5315271E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.2A0.01SH
|
|
Ca2.4Al0.04Si2O7.1845H1.449:2.0794H2O + 4.920H+ = 0.040Al+3 + 2.400Ca+2 + 2.000H4SiO4 + 1.2639H2O
|
|
log_k 38.465
|
|
delta_h -226.944 #kJ/mol #Internal calculation
|
|
-analytic -7.3309682E+2 -1.1792484E-1 4.7435764E+4 2.6930249E+2 -1.6667755E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.3A0.01SH
|
|
Ca2.6Al0.04Si2O7.4606H1.6012:2.1732H2O + 5.320H+ = 0.040Al+3 + 2.600Ca+2 + 2.000H4SiO4 + 1.6338H2O
|
|
log_k 42.832
|
|
delta_h -251.718 #kJ/mol #Internal calculation
|
|
-analytic -7.8670951E+2 -1.2599309E-1 5.1494849E+4 2.8884814E+2 -1.8084176E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.4A0.01SH
|
|
Ca2.8Al0.04Si2O7.7502H1.7804:2.2294H2O + 5.720H+ = 0.040Al+3 + 2.800Ca+2 + 2.000H4SiO4 + 1.9796H2O
|
|
log_k 47.252
|
|
delta_h -276.779 #kJ/mol #Internal calculation
|
|
-analytic -8.4113778E+2 -1.3418923E-1 5.5612366E+4 3.0869174E+2 -1.9524737E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.5A0.01SH
|
|
Ca3Al0.04Si2O8.0399H1.9598:2.2858H2O + 6.120H+ = 0.040Al+3 + 3.000Ca+2 + 2.000H4SiO4 + 2.3257H2O
|
|
log_k 51.685
|
|
delta_h -301.918 #kJ/mol #Internal calculation
|
|
-analytic -8.0522772E+2 -1.3064855E-1 5.4368643E+4 2.9637122E+2 -1.7635145E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.7A0.025SH
|
|
Ca1.4Al0.1Si2O6.1077H1.1154:1.5092H2O + 3.100H+ + 0.3831H2O = 0.100Al+3 + 1.400Ca+2 + 2.000H4SiO4
|
|
log_k 18.465
|
|
delta_h -116.266 #kJ/mol #Internal calculation
|
|
-analytic -4.9181375E+2 -8.1665145E-2 2.9180312E+4 1.8118348E+2 -1.0285614E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.8A0.025SH
|
|
Ca1.6Al0.1Si2O6.331H1.162:1.6746H2O + 3.500H+ = 0.100Al+3 + 1.600Ca+2 + 2.000H4SiO4 + 0.0056H2O
|
|
log_k 22.347
|
|
delta_h -138.807 #kJ/mol #Internal calculation
|
|
-analytic -5.4374652E+2 -8.9580366E-2 3.3035982E+4 2.0009889E+2 -1.1674018E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.9A0.025SH
|
|
Ca1.8Al0.1Si2O6.5669H1.2338:1.7244H2O + 3.900H+ = 0.100Al+3 + 1.800Ca+2 + 2.000H4SiO4 + 0.2913H2O
|
|
log_k 26.541
|
|
delta_h -163.639 #kJ/mol #Internal calculation
|
|
-analytic -5.9805145E+2 -9.7985338E-2 3.7140315E+4 2.1986322E+2 -1.315579E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1A0.025SH
|
|
Ca2Al0.1Si2O6.8039H1.3078:1.774H2O + 4.300H+ = 0.100Al+3 + 2.000Ca+2 + 2.000H4SiO4 + 0.5779H2O
|
|
log_k 30.922
|
|
delta_h -189.516 #kJ/mol #Internal calculation
|
|
-analytic -6.5236552E+2 -1.0638756E-1 4.1299671E+4 2.3963151E+2 -1.463701E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.1A0.025SH
|
|
Ca2.2Al0.1Si2O7.0406H1.3812:1.93H2O + 4.700H+ = 0.100Al+3 + 2.200Ca+2 + 2.000H4SiO4 + 0.9706H2O
|
|
log_k 35.178
|
|
delta_h -213.999 #kJ/mol #Internal calculation
|
|
-analytic -7.0454912E+2 -1.1430126E-1 4.5269142E+4 2.5864468E+2 -1.6024806E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.2A0.025SH
|
|
Ca2.4Al0.1Si2O7.2809H1.4618:2.1052H2O + 5.100H+ = 0.100Al+3 + 2.400Ca+2 + 2.000H4SiO4 + 1.3861H2O
|
|
log_k 39.460
|
|
delta_h -238.434 #kJ/mol #Internal calculation
|
|
-analytic -7.5636538E+2 -1.2211461E-1 4.9215567E+4 2.7753006E+2 -1.7393322E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.3A0.025SH
|
|
Ca2.6Al0.1Si2O7.5579H1.6158:2.1808H2O + 5.500H+ = 0.100Al+3 + 2.600Ca+2 + 2.000H4SiO4 + 1.7387H2O
|
|
log_k 43.944
|
|
delta_h -263.978 #kJ/mol #Internal calculation
|
|
-analytic -8.1034646E+2 -1.3026358E-1 5.3335066E+4 2.9720685E+2 -1.8825162E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.4A0.025SH
|
|
Ca2.8Al0.1Si2O7.8451H1.7902:2.2346H2O + 5.900H+ = 0.100Al+3 + 2.800Ca+2 + 2.000H4SiO4 + 2.0797H2O
|
|
log_k 48.414
|
|
delta_h -289.389 #kJ/mol #Internal calculation
|
|
-analytic -7.8042196E+2 -1.2751558E-1 5.2461083E+4 2.8701572E+2 -1.7158666E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.5A0.025SH
|
|
Ca3Al0.1Si2O8.1324H1.9648:2.2886H2O + 6.300H+ = 0.100Al+3 + 3.000Ca+2 + 2.000H4SiO4 + 2.421H2O
|
|
log_k 52.886
|
|
delta_h -314.809 #kJ/mol #Internal calculation
|
|
-analytic -8.2758634E+2 -1.3478154E-1 5.6166021E+4 3.0427149E+2 -1.83337E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.7A0.05SH
|
|
Ca1.4Al0.2Si2O6.2658H1.1316:1.6968H2O + 3.400H+ + 0.0374H2O = 0.200Al+3 + 1.400Ca+2 + 2.000H4SiO4
|
|
log_k 19.900
|
|
delta_h -133.257 #kJ/mol #Internal calculation
|
|
-analytic -5.2768921E+2 -8.7991406E-2 3.187456E+4 1.9386485E+2 -1.136936E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.8A0.05SH
|
|
Ca1.6Al0.2Si2O6.4921H1.1842:1.7636H2O + 3.800H+ = 0.200Al+3 + 1.600Ca+2 + 2.000H4SiO4 + 0.2557H2O
|
|
log_k 23.764
|
|
delta_h -156.278 #kJ/mol #Internal calculation
|
|
-analytic -5.8160902E+2 -9.6350235E-2 3.5864147E+4 2.1348635E+2 -1.2842534E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C0.9A0.05SH
|
|
Ca1.8Al0.2Si2O6.7289H1.2578:1.7572H2O + 4.200H+ = 0.200Al+3 + 1.800Ca+2 + 2.000H4SiO4 + 0.4861H2O
|
|
log_k 28.379
|
|
delta_h -183.860 #kJ/mol #Internal calculation
|
|
-analytic -6.3704272E+2 -1.0501076E-1 4.0174046E+4 2.3365125E+2 -1.4373162E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1A0.05SH
|
|
Ca2Al0.2Si2O6.9642H1.3284:1.8024H2O + 4.600H+ = 0.200Al+3 + 2.000Ca+2 + 2.000H4SiO4 + 0.7666H2O
|
|
log_k 33.085
|
|
delta_h -211.659 #kJ/mol #Internal calculation
|
|
-analytic -6.9143688E+2 -1.134389E-1 4.443832E+4 2.534468E+2 -1.5859379E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.1A0.05SH
|
|
Ca2.2Al0.2Si2O7.1991H1.3982:2.02H2O + 5.000H+ = 0.200Al+3 + 2.200Ca+2 + 2.000H4SiO4 + 1.2191H2O
|
|
log_k 37.610
|
|
delta_h -237.307 #kJ/mol #Internal calculation
|
|
-analytic -6.7753942E+2 -1.1265172E-1 4.4549741E+4 2.4893329E+2 -1.480404E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.2A0.05SH
|
|
Ca2.4Al0.2Si2O7.4415H1.483:2.1564H2O + 5.400H+ = 0.200Al+3 + 2.400Ca+2 + 2.000H4SiO4 + 1.5979H2O
|
|
log_k 42.303
|
|
delta_h -264.305 #kJ/mol #Internal calculation
|
|
-analytic -7.2288188E+2 -1.196934E-1 4.8241853E+4 2.6551379E+2 -1.5937687E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.3A0.05SH
|
|
Ca2.6Al0.2Si2O7.7201H1.6402:2.1962H2O + 5.800H+ = 0.200Al+3 + 2.600Ca+2 + 2.000H4SiO4 + 1.9163H2O
|
|
log_k 47.278
|
|
delta_h -292.853 #kJ/mol #Internal calculation
|
|
-analytic -7.7031714E+2 -1.2705732E-1 5.2126066E+4 2.8285983E+2 -1.7131993E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.4A0.05SH
|
|
Ca2.8Al0.2Si2O8.0032H1.8064:2.2448H2O + 6.200H+ = 0.200Al+3 + 2.800Ca+2 + 2.000H4SiO4 + 2.248H2O
|
|
log_k 52.187
|
|
delta_h -320.883 #kJ/mol #Internal calculation
|
|
-analytic -8.1758219E+2 -1.3436375E-1 5.5973338E+4 3.0014851E+2 -1.8315015E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
C1.5A0.05SH
|
|
Ca3Al0.2Si2O8.2864H1.9728:2.2938H2O + 6.600H+ = 0.200Al+3 + 3.000Ca+2 + 2.000H4SiO4 + 2.5802H2O
|
|
log_k 57.105
|
|
delta_h -348.954 #kJ/mol #Internal calculation
|
|
-analytic -8.6483923E+2 -1.4166794E-1 5.9822317E+4 3.1743442E+2 -1.94976E+6
|
|
#References = LogK/DGf: 17roo/vie; DHf/DHr: Internal calculation; S°: 17roo/vie; Cp: 17roo/vie; V°: 17roo/vie;
|
|
|
|
Cu(OH)2
|
|
Cu(OH)2 + 2.000H+ = 1.000Cu+2 + 2.000H2O
|
|
log_k 8.669
|
|
delta_h -62.657 #kJ/mol #Internal calculation
|
|
-analytic -2.9452318E+2 -4.3540153E-2 1.845324E+4 1.0634043E+2 -7.8678568E+5
|
|
#References = LogK/DGf: 07pow/bro; DHf/DHr: Internal calculation; S°: 98cha; Cp: 98cha; V°: 84pan/stu;
|
|
|
|
CuF
|
|
CuF = 1.000Cu+ + 1.000F-
|
|
log_k -4.712
|
|
delta_h -129.724 #kJ/mol #84pan/stu
|
|
-analytic -7.9465376E+2 -1.2605647E-1 4.2205101E+4 2.8862866E+2 -2.5089325E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 09hon;
|
|
|
|
CuF2
|
|
CuF2 = 1.000Cu+2 + 2.000F-
|
|
log_k 1.114
|
|
delta_h -66.622 #kJ/mol #84pan/stu
|
|
-analytic -1.6993413E+3 -2.7172468E-1 9.5415187E+4 6.1527699E+2 -5.4239787E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 84pan/stu; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu;
|
|
|
|
CuF2:2H2O
|
|
CuF2:2H2O = 1.000Cu+2 + 2.000F- + 2.000H2O
|
|
log_k -4.551
|
|
delta_h -15.030 #kJ/mol #Internal calculation
|
|
-analytic -1.6573332E+3 -2.6149983E-1 9.063817E+4 6.0052159E+2 -5.262911E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 07gre/per;
|
|
|
|
Nantokite
|
|
CuCl = 1.000Cl- + 1.000Cu+
|
|
log_k -6.800
|
|
delta_h -103.430 #kJ/mol #Internal calculation
|
|
-analytic -7.2286759E+2 -1.1683599E-1 3.6968263E+4 2.6376791E+2 -2.2904645E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 84pan/stu; Cp: 84pan/stu; V°: 84pan/stu;
|
|
|
|
Melanothallite
|
|
CuCl2 = 1.000Cu+2 + 2.000Cl-
|
|
log_k 3.730
|
|
delta_h -48.708 #kJ/mol #Internal calculation
|
|
-analytic -1.5643025E+3 -2.5355698E-1 8.7639994E+4 5.6848485E+2 -5.066404E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 98cha; Cp: 98cha; V°: 84pan/stu;
|
|
|
|
Atacamite
|
|
Cu4Cl2(OH)6 + 6.000H+ = 2.000Cl- + 4.000Cu+2 + 6.000H2O
|
|
log_k 14.918
|
|
delta_h -142.094 #kJ/mol #Internal calculation
|
|
-analytic -2.4620526E+3 -3.8707733E-1 1.3878896E+5 8.9345209E+2 -7.4591846E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam;
|
|
|
|
Anilite
|
|
Cu1.75S + 1.000H+ = 1.500Cu+ + 0.250Cu+2 + 1.000HS-
|
|
log_k -31.220
|
|
delta_h -910.262 #kJ/mol #Internal calculation
|
|
-analytic -8.87995E+2 -1.392376E-1 3.877071E+4 3.2302246E+2 -2.759868E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 00pui; V°: 95rob/hem;
|
|
|
|
Djurleite
|
|
Cu1.934S + 1.000H+ = 1.868Cu+ + 0.066Cu+2 + 1.000HS-
|
|
log_k -33.330
|
|
delta_h -943.325 #kJ/mol #Internal calculation
|
|
-analytic -8.6915799E+2 -1.3576826E-1 3.6698016E+4 3.1661844E+2 -2.6872612E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 95rob/hem; Cp: 00pui; V°: 95rob/hem;
|
|
|
|
Cu2SO4
|
|
Cu2SO4 = 2.000Cu+ + 1.000SO4-2
|
|
log_k -1.387
|
|
delta_h -307.302 #kJ/mol #00pui
|
|
-analytic -1.5682312E+3 -2.4863215E-1 8.6686198E+4 5.6886229E+2 -5.1011765E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 00pui; S°: 00pui; Cp: 84pan/stu; V°: 84pan/stu;
|
|
|
|
Chalcanthite
|
|
CuSO4:5H2O = 1.000Cu+2 + 1.000SO4-2 + 5.000H2O
|
|
log_k -2.688
|
|
delta_h 6.384 #kJ/mol #Internal calculation
|
|
-analytic -1.6525922E+3 -2.4199862E-1 8.9694992E+4 5.9749946E+2 -5.0896659E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Brochantite
|
|
Cu4SO4(OH)6 + 6.000H+ = 4.000Cu+2 + 1.000SO4-2 + 6.000H2O
|
|
log_k 15.535
|
|
delta_h -175.083 #kJ/mol #Internal calculation
|
|
-analytic -2.5944891E+3 -4.0655611E-1 1.4781572E+5 9.3942886E+2 -7.9197585E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 95rob/hem; V°: 95rob/hem;
|
|
|
|
Langite
|
|
Cu4SO4(OH)6:H2O + 6.000H+ = 4.000Cu+2 + 1.000SO4-2 + 7.000H2O
|
|
log_k 17.487
|
|
delta_h -163.966 #kJ/mol #Internal calculation
|
|
-analytic -2.5330455E+3 -3.9031759E-1 1.4504863E+5 9.1671363E+2 -7.8171334E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam;
|
|
|
|
Antlerite
|
|
Cu3SO4(OH)4 + 4.000H+ = 3.000Cu+2 + 1.000SO4-2 + 4.000H2O
|
|
log_k 8.907
|
|
delta_h -128.158 #kJ/mol #Internal calculation
|
|
-analytic -2.2359098E+3 -3.5291038E-1 1.2793027E+5 8.0874917E+2 -7.1328777E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam;
|
|
|
|
Cu2SO5
|
|
Cu2SO5 + 2.000H+ = 2.000Cu+2 + 1.000SO4-2 + 1.000H2O
|
|
log_k 10.303
|
|
delta_h -137.222 #kJ/mol #00pui
|
|
-analytic -1.9763415E+3 -3.1468292E-1 1.146949E+5 7.1443294E+2 -6.403795E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 00pui; S°: 00pui; Cp: 98cha; V°: 98cha;
|
|
|
|
Cu4(NO3)2(OH)6
|
|
Cu4(NO3)2(OH)6 + 6.000H+ = 4.000Cu+2 + 2.000NO3- + 6.000H2O
|
|
log_k 14.498
|
|
delta_h 668.973 #kJ/mol #Internal calculation
|
|
-analytic -2.4055117E+3 -3.7174769E-1 1.349721E+5 8.7333888E+2 -7.3668105E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: Default value;
|
|
|
|
Connellite
|
|
Cu37Cl8(SO4)2(OH)62:8H2O + 62.000H+ = 8.000Cl- + 37.000Cu+2 + 2.000SO4-2 + 70.000H2O
|
|
log_k 187.978
|
|
delta_h -1554.394 #kJ/mol #Internal calculation
|
|
-analytic -1.8625944E+4 -2.8480997E+0 1.0723675E+6 6.7442025E+3 -5.5269055E+7
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: 90rob/cam;
|
|
|
|
CuCO3
|
|
CuCO3 + 1.000H+ = 1.000HCO3- + 1.000Cu+2
|
|
log_k -1.120
|
|
delta_h -19.418 #kJ/mol #Internal calculation
|
|
-analytic -9.2673067E+2 -1.49069E-1 5.083938E+4 3.3633843E+2 -2.9075306E+6
|
|
#References = LogK/DGf: 00pui; DHf/DHr: Internal calculation; S°: 00pui; Cp: 00pui; V°: Default value;
|
|
|
|
|
|
|
|
|
|
# PMATCH GASES
|
|
|
|
Ar(g)
|
|
Ar = 1.000Ar
|
|
log_k -2.853
|
|
delta_h -12.011 #kJ/mol #Internal calculation
|
|
-analytic 1.0247191E+2 2.1560262E-2 -6.095971E+3 -3.9305313E+1 5.2903324E+5
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig;
|
|
|
|
Br2(g)
|
|
Br2 + 2.500O2 + 1.000H2O = 2.000BrO3- + 2.000H+
|
|
log_k -40.271
|
|
delta_h 5.797 #kJ/mol #89cox/wag
|
|
-analytic -1.5145706E+3 -2.465034E-1 8.0920616E+4 5.4319619E+2 -6.0196789E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
CH4(g)
|
|
CH4 = 1.000CH4
|
|
log_k -2.852
|
|
delta_h -876.620 #kJ/mol #98cha
|
|
-analytic 2.1637571E+2 3.7708515E-2 -1.3407146E+4 -7.9788351E+1 1.0603261E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 98cha; S°: 98cha; Cp: 98cha; V°: 18sig;
|
|
|
|
Cl2(g)
|
|
Cl2 + 1.500O2 + 1.000H2O = 2.000ClO2- + 2.000H+
|
|
log_k -43.201
|
|
delta_h -54.397 #kJ/mol #By convention
|
|
-analytic -1.4812619E+3 -2.3817595E-1 7.5490338E+4 5.3237005E+2 -5.4614111E+6
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
CO(g)
|
|
CO = 1.000CO
|
|
log_k -3.028
|
|
delta_h -287.503 #kJ/mol #89cox/wag
|
|
-analytic 2.039238E+2 3.3602959E-2 -1.3511309E+4 -7.4398533E+1 1.1059207E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig;
|
|
|
|
CO2(g)
|
|
CO2 + 1.000H2O = 1.000HCO3- + 1.000H+
|
|
log_k -7.819
|
|
delta_h -10.590 #kJ/mol #89cox/wag
|
|
-analytic -5.9614375E+2 -9.6336782E-2 3.2735447E+4 2.1383481E+2 -1.9439521E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig;
|
|
|
|
F2(g)
|
|
F2 + 1.000H2O = 2.000F- + 0.500O2 + 2.000H+
|
|
log_k 55.653
|
|
delta_h -390.937 #kJ/mol #By convention
|
|
-analytic -1.3156268E+3 -2.1051755E-1 9.1021366E+4 4.7499188E+2 -4.1405003E+6
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
H2(g)
|
|
H2 + 0.500O2 = 1.000H2O
|
|
log_k 43.000
|
|
delta_h -279.763 #kJ/mol #By convention
|
|
-analytic -7.299061E+1 -9.6878407E-3 1.9260027E+4 2.3600172E+1 -3.6591724E+5
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig;
|
|
|
|
H2O(g)
|
|
H2O = 1.000H2O
|
|
log_k 1.505
|
|
delta_h -44.004 #kJ/mol #89cox/wag
|
|
-analytic 1.1010218E-1 3.0216325E-3 1.8000225E+3 -2.5376E+0 6.5365932E+4
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
H2S(g)
|
|
H2S = 1.000HS- + 1.000H+
|
|
log_k -7.998
|
|
delta_h -864.473 #kJ/mol #89cox/wag
|
|
-analytic -7.7128067E+2 -1.2255574E-1 4.1398045E+4 2.7827883E+2 -2.4543487E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig;
|
|
|
|
HCl(g)
|
|
HCl = 1.000Cl- + 1.000H+
|
|
log_k 6.299
|
|
delta_h -74.770 #kJ/mol #89cox/wag
|
|
-analytic -6.3720544E+2 -1.0269616E-1 3.8570831E+4 2.2966743E+2 -2.0926558E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
He(g)
|
|
He = 1.000He
|
|
log_k -3.409
|
|
delta_h -0.634 #kJ/mol #By convention
|
|
-analytic 1.0815677E+2 2.2564966E-2 -6.7332064E+3 -4.102242E+1 5.153555E+5
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
Hg(CH3)2(g)
|
|
Hg(CH3)2 + 2.000H+ = 1.000Hg+2 + 2.000CH4
|
|
log_k 8.824
|
|
delta_h -1827.166 #kJ/mol #82wag/eva
|
|
-analytic 1.186317E+2 2.4722556E-2 -6.5145222E+3 -4.4108205E+1 1.227984E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 82wag/eva; S°: 82wag/eva; Cp: 82wag/eva; V°: Default value;
|
|
|
|
Hg(g)
|
|
Hg = 1.000Hg
|
|
log_k -0.918
|
|
delta_h -170.933 #kJ/mol #89cox/wag
|
|
-analytic 1.4728151E+2 2.7804284E-2 -1.0282302E+4 -5.4875078E+1 1.2251434E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
I2(g)
|
|
I2 + 2.500O2 + 1.000H2O = 2.000IO3- + 2.000H+
|
|
log_k 13.954
|
|
delta_h 103.527 #kJ/mol #89cox/wag
|
|
-analytic -1.5955227E+3 -2.5854904E-1 1.0217236E+5 5.7111378E+2 -6.1610666E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
Kr(g)
|
|
Kr = 1.000Kr
|
|
log_k -2.599
|
|
delta_h -15.265 #kJ/mol #By convention
|
|
-analytic 1.5418728E+2 2.7181776E-2 -1.0136035E+4 -5.695289E+1 8.9175512E+5
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
N2(g)
|
|
N2 = 1.000N2
|
|
log_k -3.181
|
|
delta_h 676.156 #kJ/mol #By convention
|
|
-analytic 1.912961E+2 3.2724035E-2 -1.2195929E+4 -7.0432479E+1 9.7360502E+5
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig;
|
|
|
|
Ne(g)
|
|
Ne = 1.000Ne
|
|
log_k -3.340
|
|
delta_h -3.645 #kJ/mol #By convention
|
|
-analytic 1.0930257E+2 2.2478035E-2 -6.8539596E+3 -4.1431936E+1 5.4794524E+5
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
NH3(g)
|
|
NH3 = 1.000NH3
|
|
log_k 1.810
|
|
delta_h -35.627 #kJ/mol #89cox/wag
|
|
-analytic -1.0678754E+2 -7.888845E-3 8.4083629E+3 3.5264317E+1 -4.0102718E+5
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
O2(g)
|
|
O2 = 1.000O2
|
|
log_k -2.893
|
|
delta_h -12.134 #kJ/mol #By convention
|
|
-analytic 1.7801864E+2 3.029253E-2 -1.1471782E+4 -6.5497358E+1 9.4241768E+5
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig;
|
|
|
|
S2(g)
|
|
S2 + 2.000H2O = 2.000HS- + 1.000O2 + 2.000H+
|
|
log_k -76.313
|
|
delta_h -1339.219 #kJ/mol #89cox/wag
|
|
-analytic -1.1526864E+3 -1.8611104E-1 4.0487117E+4 4.1853952E+2 -3.5184361E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
SO2(g)
|
|
SO2 + 1.000H2O = 1.000SO3-2 + 2.000H+
|
|
log_k -8.935
|
|
delta_h -320.633 #kJ/mol #89cox/wag
|
|
-analytic -9.7001743E+2 -1.5605541E-1 5.6939963E+4 3.4593396E+2 -3.4986818E+6
|
|
#References = LogK/DGf: Internal calculation; DHf/DHr: 89cox/wag; S°: 89cox/wag; Cp: 89cox/wag; V°: 18sig;
|
|
|
|
Xe(g)
|
|
Xe = 1.000Xe
|
|
log_k -2.358
|
|
delta_h -18.860 #kJ/mol #By convention
|
|
-analytic 2.4653608E+2 3.823462E-2 -1.6842529E+4 -8.8954045E+1 1.4495983E+6
|
|
#References = S°: 89cox/wag; Cp: 89cox/wag; V°: Default value;
|
|
|
|
References
|
|
|
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# 00bla/bid Bladh K.W., Bideaux R.A., Anthony-Morton E., Nichols B.G. (2000) The Handbook of Mineralogy Volume IV, Mineralogical Society of America.
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# 00cou Courault, A. C., 2000, Simulation experimentale des C-S-H dans les betons modernes : etude de la composition et des proprietes a l'equilibre dans des milieux complexes : Ph.D. thesis, Universite de Bourgogne, Dijon, 201 p.
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# 04gar/muc Alain Garand, Alfonso Mucci. The solubility of fluorite as a function of ionic strength and solution composition at 25 C and 1 atm total pressure. Marine Chemistry, Volume 91, Issues 1-4, 15 November 2004, Pages 27-35
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# 04maj/nav Majzlan, J., Navrotsky, A., Schwertmann, U. (2004) Thermodynamics of iron oxides: Part III. Enthalpies of formation and stability of ferrihydrite (~Fe(OH)3), schwertmannite (~FeO(OH)3/4(SO4)1/8), and e-Fe2O3. Geochimica et Cosmochimica Acta 68, 1049-1059
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# 04maj/ste Majzlan, J., Stevens, R., Boerio-Goates, J., Woodfield, B.F., Navrotsky, A., Burns, P.C., Crawford, M.K., Amos, T.G. (2004) Thermodynamic properties, low-temperature heat capacity anomalies, and single crystal X-ray refinement of hydronium jarosite, (H3O)Fe3(SO4)2(OH)6. Physics and Chemistry of Minerals 31, 518-531
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# 04neu/hov Neuhoff, P.S., Hovis, G.L., Balassone, G., and Stebbins, J.F., 2004, Thermodynamic properties of analcime solid solutions. American Journal of Science, v. 304, p. 21-66.
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# 04roi Roine A., 2004. HSC Chemistry: v5.0, Outokompu Research Oy: Pori.
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# 04smi/mar Smith R.M., and Martell A.E., 2004. NIST Critically Selected Stability Constants of Metals Complexes Database, V 8.0. National Institute of Standards and Technology (NIST); Texas A and M University.
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# 04wan/li Wang T. and Li Z., 2004. Some thermodynamic properties of calcium chromate. J. Chem. Eng. Data, 49, p. 1300-1302.
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# 04xu/app Xu, T, J. A. Apps, and K. Pruess, Numerical simulation of CO2 disposal by mineral trapping in deep aquifers, Applied Geochemistry, 19, 917-936, 2004
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# 05bes/app Bessinger, B. and Apps, J.A., 2005. The Hydrothermal Chemistry of Gold, Arsenic, Antimony, Mercury and Silver. Report LBNL-57395, 52 p.
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# 05for/dro Forray, F.L., Drouet, C, Navrotsky, A. (2005) Thermochemistry of yavapaiite KFe(SO4)2: Formation and decomposition. Geochimica et Cosmochimica Acta 69(8), 2133-2140
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# 05kin/par Kim T.G. and Park B., 2005. Synthesis and Growth Mechanisms of One-Dimensional Strontium Hydroxyapatite Nanostructures. Inorganic chemistry, 44, p. 9895-9901
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# 05las/aza Lassin A., Azaroual M., Mercury L. (2005) 'Geochemistry of Unsaturated Soil Systems: Aqueous Speciation and Solubility of Minerals and Gases in Capillary Solutions'. Geochim. Cosmochim. Acta 69, 5187-5201.
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# 05liu/mcp Liu W. and McPhail D.C., 2005. Thermodynamic properties of copper chloride complexes and copper transport in magmatic-hydrothermal solutions. Chemical Geology, 221, 21-39
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# 05maj/nav Majzlan, J., Navrotsky, A., Stevens, R., Donaldson, M., Woodfield, B.F., Boerio-Goates, J. (2005) Thermodynamics of monoclinic Fe2(SO4)3. Journal of Chemical Thermodynamics 37, 802-809
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# 05pok/rou Pokrovski G.S., Roux J., Hazemann J.L. and Testemale D. , 2005. An X-ray absorption spectroscopy study of argutite solubility and aqueous Ge(IV) speciation in hydrothermal fluids to 500 C and 400 bar. Chemical Geology, 217, 127-145
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# 05vid/par Vidal O., Parra T., Vieillard, P., 2005. Thermodynamic properties of the Tschermak solid solution in Fe-chlorite: Application to natural examples and possible role of oxidation. American Mineralogist 90, 347-358.
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# 05wal/pel Waldner, P., Pelton, A.D. (2005) Thermodynamic modeling of the Fe-S system. Journal of Phase Equilibria and Diffusion 26, 23-38.
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# 06bla/ign Blanc P., Ignatadis I., Lassin A. et Burnol A., 2006. Thermochimie : Selection de constantes thermodynamiques pour le chrome, le cobalt et le strontium. Rapport final. Rapport BRGM 55083-FR.
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# 06bla/las Blanc P., Lassin A., Gaucher E.C. et Jacquot E., 2006. Un modele thermodynamique et mineralogique de beton : prise en compte de l'influence de la temperature. Rapport final. Rapport BRGM 55084-FR.
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# 06bla/pia Blanc P., Piantone P., Lassin A. et Burnol A., 2006. Thermochimie : Selection de constantes thermodynamiques pour les elements majeurs, le plomb et le cadmium. Rapport final. Rapport BRGM 54902-FR
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# 06bod/las Bodenan F., Lassin A., Hottier M., Filippov L. et Piantone P., 2006. Projet Decalco - Piegeage et valorisation de dechet alcalin par passivation au CO2 industriel. Rapport BRGM/RP-55015-FR, 140 p.
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# 06deo/nav Deore S., and Navrotsky A., 2006. Oxide melt solution calorimetry of sulfides: Enthalpy of formation of sphalerite, galena, greenockite, and hawleyite. American Mineralogist, 91, p. 400 403.
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# 06gai/bla Gailhanou H., et Blanc P., 2006. Thermochimie - Estimation des entropies, capacites calorifiques et volumes molaires des phyllosilicates 2 :1 deshydrates. BRGM/RP-55095-FR
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# 06gau/bla Gaucher E. C., Blanc P., Bardot F., Braibant G., Buschaert S., Crouzet C., Gautier A., Girard J.-P., Jacquot E., Lassin A., Negrel G., Tournassat C., Vinsot A., Altmann S. (2006) Modelling the porewater chemistry of the Callovian-Oxfordian formation at a at a regional scale, C. R. Geoscience 338 (2006).
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# 06lan/mah Langmuir D, Mahoney J, Rowson J (2006) Solubility products of amorphous ferric arsenate and crystalline scorodite (Fe- AsO4_2H2O) and their application to arsenic behavior in buried mine tailings. Geochim Cosmochim Acta 70:2942-2956
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# 06las/bla Lassin A. et Blanc P., 2006. Considerations sur les contraintes liees a la gestion des donnees thermodynamiques en vue de la creation de la base de donnees THERMODDEM. Rapport BRGM/RP-55118-FR, 120 p.
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# 06mes/bou Messnaoui B., and Bounahmidi T., 2006. On the modeling of calcium sulfate solubility in aqueous solutions. Fluid Phase Equilibria, 244, p. 117-127.
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# 06pia/bod Piantone P., Bodenan F. et Lassin A., 2006. Projet NOVOSOL - Evaluation environnementale de sediments phosphates et calcines. Rapport BRGM/RP-54845-FR, 133 p.
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# 06pia/now Piantone P., Nowak C., Blanc P., Lassin A. et Burnol A., 2006. Themoddem : THERmodynamique et MOdelisation de la Degradation DEchets Mineraux. Rapport d'avancement. Rapport BRGM n BRGM/RP- 54547-FR, 52 p.
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# 07avie Vieillard P., 2007. Estimation des entropies et capacites calorifiques des zeolithes. Rapport CNRS-Hydrasa 2007-2, 30 p.
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# 07bla/bou Blanc P., Bourbon X. et Lassin A. (2007) Un modele thermodynamique et mineralogique de beton : selection de constantes thermodynamiques. Rapport final. Rapport BRGM/RP-55967-FR
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# 07bla/gai Blanc P. et Gailhanou H. (2007) Thermochimie : Estimation des entropies, capacites calorifiques et volumes molaires des phyllosilicates deshydrates et hydrates. Rapport final. Rapport BRGM/RP-55966-FR.
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# 07gai/bla Gailhanou H. et Blanc P., 2007. Thermochimie : Acquisition des proprietes thermodynamiques sur une saponite et revision des donnees sur les mineraux argileux. Rapport final BRGM/RP-55925-FR
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# 07las brgm report in progress
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# 07mar/acc Marini L, Accornero M (2007) Prediction of the thermodynamic properties of metal-arsenate and metal-arsenite aqueous complexes to high temperatures and pressures and some geological consequences. Environ Geol 52:1343-1363
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# 07neu/wan Neuhoff P. S. and Wang J. (2007) Heat capacity of hydration. American Mineralogist 92, 1358-1367
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# 07ste Stefansson A. (2007) Iron(III) hydrolysis at 25 C. Environ. Sci. Technol. 2007, 41, 6117-6123
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# 07vie Vieillard P., 2007. THERMOCHIMIE : Estimation des enthalpies de formation des Phyllosilicates (7, 10 et 14A) anhydres. Rapport final. CNRS-Hydrasa 2007-1, 21 p.
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# 08aza/and Azaroual M., Andre L., Blanc Ph., Jacquemet N., Crouzet C. (2008) Modelisation thermocinetique des phenomenes d'interaction eaux riches en gaz acides - ciment du casing des forages petroliers. Rapport BRGM/RC-56584-FR, 48 fig., 14 tabl., 124 p
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# 08bas/pet Basciano L.C., Peterson R.C. (2008) Amer. Mineral., 93, 853-862
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# 08bla Blanc P. (2008) : Thermoddem - Selection de proprietes thermodynamiques pour les principales especes aqueuses et minerales porteuses de fer. Rapport final. Rapport BRGM/RP-56587-FR, 70p.
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# 08gai Gailhanou H. (2008) : Thermochimie : Acquisition des proprietes thermodynamiques sur une berthierine et revision des donnees sur les mineraux argileux. Rapport final BRGM/RP-56838-FR
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# 08las Lassin A., 2008, personal calculations.
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# 08per/pok Perfetti E., Pokrovski G., Ballerat-Busserolles K., Majer V., Gibert F. (2008) Densities and heat capacities of aqueous arsenious and arsenic acid solutions to 350 C and 300 bar, and revised thermodynamic properties of As(OH)3(aq), AsO(OH)3(aq) and iron sulfarsenide minerals. Geochimica et Cosmochimica Acta 72, 713-731
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# 08sch/lot Schmidt, T., Lothenbach, B., Romer, M., Scrivener, K.L., Rentsch, D., Figi, R. (2008), A thermodynamic and experimental study of the conditions of thaumasite formation, Cement and Concrete Research, 38(3), 337-349.
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# 08vie Vieillard P., 2008. Estimation des entropies et capacites calorifiques des zeolithes. Rapport CNRS-Hydrasa 2008, 29 p.
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# 09bla Blanc P. (2009) - Thermochimie - Selection de constantes thermodynamiques pour les zeolites : version 2. Rapport final. Rapport BRGM/RP-57796-FR. 55 p.
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# 09gai Gailhanou H. (2009) : Thermochimie : Acquisition des proprietes thermodynamiques d'une nontronite, d'une beidellite et revision des donnees de la saponite Sap-Ca-1. Rapport final BRGM/RP-57797-FR
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# 09gai/rog Gailhanou, H., Rogez, J., van Miltenburg, J.C., van Genderen, A.C.G., Greneche, J.M., Gilles, C., Jalabert, D., Michau, N., Gaucher, E.C., Blanc, P., 2009. Thermodynamic properties of chlorite CCa-2. Heat capacities, heat contents and entropies. Geochimica et Cosmochimica Acta 73, 4738-4749.
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# 10abla/bou Blanc, Ph.; Bourbon, X.; Lassin, A.; Gaucher, E.C. 2010 - Chemical model for cement-based materials: Temperature dependence of thermodynamic functions for nanocrystalline and crystalline C-S-H phases. Cement and Concrete Research, 40, p. 851-867
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# 10bbla/bou Blanc, Ph.; Bourbon, X.; Lassin, A.; Gaucher, E.C. 2010 - Chemical model for cement-based materials: Thermodynamic data assessment for phases other than C-S-H. Cement and Concrete Research, 40, p. 1360-1374.
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# 10bla/vie Blanc P. and Vieillard P. (2010) - Thermochimie: Estimation of the thermodynamic properties of dehydrated phyllosilicates. Final Report. BRGM/RP-57798-FR.
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# 10vie Vieillard P., 2010 - A predictive model for the entropies and heat capacities of zeolites. Eur. J. Mineral. 22, 823-836
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# 11bla/las Blanc P., Lassin A. 2011. Thermoddem report 2011
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# 11maj/dra Majzlan J, Drahota P, Filippi M, Novak M, Loun J and Grevel K-D 2011. Thermodynamics of Crystalline iron(III) Arsenates Scorodite, Kankite, and Bukovskyite. Goldschmidt 2011 Conference Abstract 1391
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# 11par/cor Parmentier M., Corvisier J., Chiquet P., Parra T. et Sterpenich J. 2011. La modelisation geochimique de la reactivite des gaz annexes co-injectes avec le CO2 : possibilites et limites des codes de calcul via une application. BRGM/RP-60605-FR
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# 11vie/bla Vieillard, P., Blanc, P., Fialips, C.I., Gailhanou, H., Gaboreau, S., 2011. Hydration thermodynamics of the SWy-1 montmorillonite saturated with alkali and alkaline-earth cations: A predictive model. Geochimica et Cosmochimica Acta 75, 5664-5685. doi:10.1016/j.gca.2011.07.014
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# 12bla Blanc P., 2012, Mercury associated physical and chemical constants: updating of the THERMODDEM database, IMaHg project, rapport BRGM RP-61299-FR, 32p
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# 12gai/bla Gailhanou, H., Blanc, P., Rogez, J., Mikaelian, G., Kawaji, H., Olives, J., Amouric, M., Denoyel, R., S., B., Montouillout, V., Vieillard, P., Fialips, C. I., Giffaut, E., Michau, N., and Gaucher, E. C., 2012, Thermodynamic properties of illite IMt-2, smectite MX-80 and beidellite SBld-1 by calorimetric methods: Enthalpies of formation, heat capacities , entropies and Gibbs free energies of formation. : Geochimica Cosmochimica Acta, v. 89, p. 279-301.
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# 13bla/gab Blanc P., Gaboreau S. (2013) - Thermoddem : Selection de proprietes thermodynamiques pour les principales especes aqueuses et minerales porteuses de nickel. Rapport final. BRGM/RP-61871-FR. 35 p., 12 fig., 4 tabl.
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# 13bla/las Blanc P., Lassin A. (2013) - Thermoddem : Selection de proprietes thermodynamiques pour les principales especes aqueuses et minerales porteuses d'arsenic. Rapport final. BRGM/RP-62585-FR. 29 p., 5 fig., 3 tabl.
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# 13gai/bla Gailhanou, H., Blanc, P., Rogez, J., Mikaelian, G., Horiuchi, K., Yamamura, Y., Saito, K., Kawaji, H., Warmont, F., Greneche, J.-M., Vieillard, P., Fialips, C.I., Giffaut, E., Gaucher, E.C., 2013. Thermodynamic properties of saponite, nontronite, and vermiculite derived from calorimetric measurements. American Mineralogist 98, 1834-1847.
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# 14bla/gai Blanc, P., Gailhanou, H., Rogez, J., Mikaelian, G., Kawaji, H., Warmont, F., Grangeon, S., Greneche, J.M., Fialips, C.I., Giffaut, E., Gaucher, E.C., Claret, F., 2014, Thermodynamic properties of a chlorite and a berthierine by calorimetric methods: Physics and Chemistry of Minerals (accdepted)
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# 14las/pia Lassin, A., Piantone, P., Crouzet, C., Bodenan, F., Blanc, P., 2014. Estimated thermodynamic properties of NaFeS2 and erdite (NaFeS2:2H2O). Applied Geochemistry 45, 14-24. doi:10.1016/j.apgeochem.2014.02.015
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# 33dan D'Ans J., 1933. Die Losegleichgewichte der Systeme der Salze ozeanischer Salzablagerungen. Kaliorschungs Anstalt GmbH, Berlin Verlagsgesellschaft fur Ackerbau MBH, Berlin SW11
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# 53hem Hemley J.J., 1953. A study of lead sulfide solubility and its relation to ore deposition. Econ. Geol., 48, p. 113 138.
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# 53pag Page F.M., 1953. The dissociation constants of thiosulphuric acid. J. Chem. Soc., p. 1719 1724.
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# 60kit Kitahara S., 1960. The solubility of quartz in water at high temperatures and high pressures. Rev. Phys. Chem. Japan, 30, p. 109 137.
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# 60lin/mor Lindsay W.L., Moreno E.C., 1960, Phosphate phase equilibria in soils. Soil Sci. Am. Proc., 24, 177-182
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# 60pou Pourbaix M., 1960. Standard free energies of formation at 25 C, CEBELCOR Report, 684, Brussels, 57 pp.
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# 61bchu/aly Chukhlantsev V.G., Alyamovskaya K.V., 1961b, Solubility product of copper, cobalt, nickel, and cadmium phosphates. Izvest. Vyss. Uch. Zaved. Khim. Khim. Tekh., 4, 706-709 (in russian)
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# 61ber/new Berman H.A. and Newman E.S., 1961. Heat of formation of calcium aluminate monocarbonate at 25 C, Journal of Research of the National Bureau of Standards. A, Physics and Chemistry, 65, pp. 197-207
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# 63hos Hostetler P.B., 1963. The stability and surface energy of Brucite in water at 25 C. Am. J. Sci., 261, p. 238-258.
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# 63tay/fra Taylor A.W., Frazier A.W., Gurney E.L. and Smith J.P., 1963. Solubility product of di- and tri-magnesium phosphates and the dissociation of magnesium phosphate solutions. Trans. Farad. Soc., 59, 1585-1589
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# 71bduf Duff E.J., 1971b, Orthophosphates. III. The hydrolysis of secondary calcium orthophosphates. J. Chem. Soc. A, 917-921
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# 71cre/and Crerar D.A., and Anderson G.M., 1971. Solubility and solvation reactions of quartz in dilute hydrothermal solutions. Chem. Geol., 8, p. 107 122.
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# 71ell/gig Ellis A.J., and Giggenbach W., 1971. Hydrogen sulphide ionization and sulphur hydrolysis in high temperature solution. Geochim. Cosmochim. Acta, 35, p. 247 260.
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# 71mac/gee Mackenzie F.T., and Gees R., 1971. Quartz: Synthesis at earthsurface conditions. Science, 173, p. 533 535.
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# 71nri Nriagu J.O., 1971. Experimental investigation of a portion of the system PbS NaCl HCl H 2 O at elevated temperatures. American Journal of Science, 271, p.157 169.
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# 71par/wag Parker V.B., Wagman D.D., Evans W.H., 1971, Selected values of chemical thermodynamic properties. Natl. Bur. Stand. Tech. Note, 270-6 - 270-119
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# 71sil/mar Sillen L G and Martell A E 1971 Stability constant of metal ion complexes, Special publications 17 and 25 (London: The Chemical Society)
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# 71wag/eva Wagman D.D., Evans W.H., Parker V.B., Halow I., Bailey S.M., Schumm R.H., Churney K.L., 1971. Selected values of chemical thermodynamic properties. Natl. Bur. Stand. Tech. Note, 270-5, 49 p.
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# 72anri Nriagu J.O., 1972a, Lead orthophosphates. I. Solubility and hydrolysis of secondary lead orthophosphates. Inorg. Chem., 11, 2499-2503
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# 72bduf Duff E.J., 1972b, Orthophosphates. IX. Chlorapatite: Phase relationships under aqueous conditions along Ca5F(PO4)3-Ca5(OH)(PO4)3-Ca5Cl(PO4)3 joins of the system CaO-CaCl2-CaF2-P2O5-H2O. J. Inorg. Nucl. Chem., 34, 859-871
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# 72bnri Nriagu J.O., 1972b, Stability of vivianite and ion-pair formation in the system Fe3(PO4)2-H3PO4-H2O. Geochim. Cosmochim. Acta, 36, 459-470
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# 72cnri Nriagu J.O., 1972c, Solubility equilibrium constant of strengite. Am. J. Sci., 272, 476-484
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# 72hem/rob Hemingway B.S. and Robie R.A., 1972. The heat capacities at low temperatures and entropies at 298.15 K of huntite, CaMg3(CO3)4, and artinite, Mg2(OH)2CO3 z 3 H2O. Am. Mineral., 57, pp. 1754-1767.
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# 72mer Mereiter K (1972) Tschermaks Mineralogische und Petrographische Mitteilungen , 18, p.185-202, Die kristallstruktur des voltaits, K2Fe2+5Fe3+3Al[SO4]12*18H2O
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# 72rob/hem Robie R.A. and Hemingway B.S., 1972. The heat capacities at low-temperatures and entropies at 298.15 K of nesquehonite, MgCO3 :3H2O, and hydromagnesite. Am. Mineral., 57, pp. 1768-1781.
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# 72vol/kho Volosov A.G., Khodakovskiy I.L., and Ryzhenko B.N., 1972. Equilibria in the system SiO2 H20 at elevated temperatures along the lower three phase curve. Geochem. Intl., 9, p. 362 377.
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# 73anri Nriagu J.O., 1973a, Lead orthophosphates. II. Stability of chloropyromorphite at 25 C. Geochim. Cosmochim. Acta, 37, 367-377
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# 73bar/kna Barin I. and Knacke O., 1973, Thermochemical Properties of Inorganic Substances. Berlin: Springer-Verlag.
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# 73bnri Nriagu J.O., 1973b, Solubility equilibrium constant of a-hopeite. Geochim. Cosmochim. Acta, 37, 2357-2361
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# 73hem/rob Hemingway B. S. and Robie R. A., 1973. A calorimetric determination of the standard enthalpies of formation of huntite, CaMg3(CO3)4, and artinite, Mg2(OH)2CO3 z 3 H2O, and their standard Gibbs free energies of formation. J. Res. U.S. Geol. Survey, 1, pp. 535-541.
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# 73hul/des Hultgren R., Desai P. D., Hawkins D. T., Gleiser M., Kelly K. K. and Wagman D. (1973) Selected Values of the Thermodynamic Properties of the Elements. Metals Park, Ohio, AMS.
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# 73hul/tur Hull H. and Turnbull A.J., 1973, A thermochemical study of monohydrocalcite. Geochim. Cosmochim. Acta, 37, 685-694
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# 73rob/hem Hemingway B. S. and Robie R. A., 1973. A calorimetric determination of the standard enthalpies of formation of huntite, CaMg3(CO3)4, and artinite, Mg2(OH)2CO3 z 3 H2O, and their standard Gibbs free energies of formation. J. Res. U.S. Geol. Survey, 1, pp. 535-541.
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# 74avol/yag Volkov A.I., Yaglov V.N., Novikov G.I.,1974a, Heat of formation of trizinc diorthophosphate. Russ. J. Phys. Chem., 48, 1697
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# 74cat/fer Catti M , Ferraris G , Acta Crystallographica, Section B , 30 (1974) p.1789-1794, Crystal structure of Ca5(HAsO4)2(AsO4)2*9H2O (guerinite), Locality: synthetic
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# 74ham Hamann S.D., 1974. Electrolyte solutions at high pressure. In Modern Aspects of Electrachemistry, Plenum, No. 9 (ed. Conway B.E. and Bockris J. O.), p. 47 158.
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# 74jac/lan Jacobson R.L., and Langmuir D., 1974. Dissociation constants of calcite and CaHCO3+ from 0 to 50 C. Geochimica et Cosmochimica Acta, 88, p. 301 318.
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# 74mil Mills K.C., 1974, Thermodynamic data for inorganic sulfides, selenides, and tellurides. Butterworths, London, 845 p.
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# 74nau/ryz Naumov G.B., Ryzhenko B.N., and Khodakovsky I.L., 1974. Handbook of Thermodynamic Data. U.S. Geol. Surv.WRD 74 001, 328 pp.
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# 74nri Nriagu J.O., 1974. Lead orthophosphates-IV Formation and stability in the environment. Geochimica et Cosmochimica Acta, 38, p. 887 898.
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# 74rea/lan Reardon E.J., and Langmuir D., 1974. Thermodynamic properties of the ion pairs CaCO3 and MgCO3 from 10 to 50 C. Am. J. Sci., 274, p. 599-612.
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# 74sew Seward T.M., 1974. Determination of the first ionization constant of silicic acid from quartz soIubility in borate buffer soIutions to 350 C. Geochimica et Cosmochimica Acta, 38, p. 1651 1664.
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# 74tru/jon Truesdell A.H., Jones B.F., 1974, WATEQ, a computer program for calculating chemical equilibria of natural waters. J. Res. US Geol. Surv., 2, 233-248
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# 75kas/bor Kashkai C. M., Borovskaya Y. B., and Badazade M. A. (1975) Determination of DG f,298 of synthetic jarosite and its sulfate analogues. Geokhimiya 7, 771-783 (in Russian).
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# 76ale/mas Aleshchkina A.E., Masalovich V.M., Agasyan P.K., Sereda B.P., 1976, Chromium (III) phosphate-complexes. Russ. J. Inorg. Chem., 21, 973-975
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# 76bae/mes Baes Jr. C.F., and Mesmer R.E., 1976. The Hydrolysis of Cations. Wiley Interscience, 489 pp.
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# 76del/hal Dellien I., Hall F.M. and Hepler L.G. 1976. Chromium, molybdenum and tungsten: Thermodynamic properties, chemical equilibria, and standard potentials. Chemical Reviews, 76, p. 283-310.
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# 76del/hep Dellien I. and Hepler L.G., 1976b. Enthalpies of formation of Cr3+(aq) and the inner sphere complexes CrF2+(aq), CrCl2+(aq), CrBr2+(aq), and CrSO4+(aq). Can. J. Chem., 54, p.1383-1387.
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# 76fer/stu Ferrante M.J., Stuve J.M. and Richardson D.W., 1976. Thermodynamic data for synthetic dawsonite. U.S. Bur. Mines Rept. Inv., 5, 577-582
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# 76gro/wes Gronvold and Westrum, 1976. F. Gronvold and E.F. Westrum, Heat capacities of iron disulfides. Thermodynamics of marcasite from 5 to 700 K, pyrite from 300 to 780 K, and the transformation of marcasite to pyrite. J. Chem. Therm. 8 (1976), pp. 1039-1048
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# 76hou/ste Houtepen, C. J. M., and Stein, H. N., 1976, The enthalpies of formation and of dehydration of some AFm phases with singly charged anions: Cement and Concrete Research, v. 6, p. 651-658
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# 76men/sab Menchetti S., Sabelli C. (1976) Neues Jb. Miner., Mh., H.9, 406-417
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# 76nri Nriagu J.O., 1976, Phosphate-clay mineral relations in soils and sediments. Can. J. Earth Sci., 13, 717-736
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# 76plu/jon Plummer L.N., Jones B.F. and Truesdell A.H., 1976, WATEQF - A FORTRAN IV version of WATEQ, a computer program for calculating chemical equilibrium of natural waters: U.S.G.S. Water Resources Inv. 76-13., 63 p.
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# 76rob/hem Robie R.A., Hemingway B.S. et Wilson H.W., 1976. The heat capacities of calorimetry conference copper and of muscovite, pyrophylite, and illite between 15 and 375 K and their standard entropies at 298.15 K. J. Research U.S. Geol. Survey., 4, p. 631-644.
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# 76rob/hem Robie R.A., Hemingway B.S. and Wilson H.W. (1976) - The heat capacities of calorimetry conference copper and of muscovite, pyrophylite, and illite between 15 and 375 K and their standard entropies at 298.15 K. J. Research U.S. Geol. Survey., 4, p. 631-644.
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# 76smi/mar Smith R.M., Martell A.E., 1976, Critical stability constants, Vol. 4: Inorganic complexes. Plenum, New York, 257 p.
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# 76tso Tsonopoulos C., Coulson D.M., and Inman L.B., 1976. Ionization constants of water pollutants. J. Chem. Eng. Data, 21, p. 190 193.
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# 76wag/eva Wagman D.D., Evans W.H., Parker V.B., Schumm R.H., 1976. Chemical thermodynamic properties of compounds of sodium, potassium, and rubidium, an interim tabulation of selected values. Natl. Bur. Stand. Tech. Note, 270, 73 p.
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# 77bar/kna Barin I., Knacke O., and Kubaschewski I., 1977: Thermochemical properties of inorganic substances. Springer Verlag, Berlin.
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# 77bus/mes Busey R.H., and Mesmer R.E., 1977. Ionization equilibria of silicic acid and polysilicate formation in aqueous sodium chloride solutions to 300 C. Inorg. Chem., 16, p. 2444 2450.
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# 77fou/row Fournier R.O., and Rowe J.J., 1977. The solubility of amorphous silica in water at high temperatures and high pressures. Amer. Mineral., 62, p. 1052 1056.
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# 77hem/rob Hemingway B.S., Robie R.A., Fisher J.R., et Wilson W.H., 1977. Heat capacity of gibbsite, Al(OH)3, between 13 and 480 K and magnesite, MgCO3, between 13 and 380 K and their standard entropies at 289.15 K, and the heat capacities of calorimetry conference benzoic acid between 12 and 316 K. J. Res. U. S. Geol. Survey, 5, p. 797-806.
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# 77mac/hos MacGee K.A., and Hostetler P.B., 1977. Studies in the system MgO SiO2 CO2 H2O (IV): The stability of MgOH+ from 10 to 90 C., Am. J. Sci., 275, p. 304 317.
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# 77rie/gam Riesen W., Gamsjager H., and Schindler P.W., 1977. Complex formation in the ternary system Mg(II) CO2 H2O . Geochimica et Cosmochimica Acta, 41, p. 1193 1200.
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# 77sre Sretenskaya N.G., 1977. Dissociation of hydrogen sulfide acid under pressure. Geokhimiya, 3, p. 430 438 (in Russian).
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# 78hel/del Helgeson, H.C., Delany, J.M, Nesbitt, H.W., and Bird, D.K., 1978. Summary and Critique of the Thermodynamic Properties of Rock Forming Minerals: Amer. J. Sci., 278A, 229 pp.
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# 78kru/sta Kruykov P.A., and Starostina L.I., 1978. The first ionization constants of hydrogen sulfide at temperature to 150 C. lzvestija Sibirskogo Otdeleniya AN SSSR, 14, p. 87 93.
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# 78ric/nri Rickard D.T., Nriagu J.O., 1978, Aqueous environmental chemistry of lead. In: The biochemistry of lead in the environment. Part A. Ecological Cycles, J.O. Nriagu (Ed), Elsevier/North-Holland Biomedical Press, 219-284
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# 78rob/hem Robie R.A., Hemingway B.S., and Fisher J.R., 1978. Thermodynamic properties of minerals and related substances at 298.15K and 1 bar 105 Pascals pressure and at higher temperatures. US Geol. Survey Bull., 1452, 456 pp.
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# 78yag Yaglov V.N., 1978, Some characteristics of dehydration of hydrates of 3d elements orthophosphates. Khim. Khim. Tekhnol. (Minsk), 13, 7-14 (in russian)
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# 79ede/sat Ederova, J., and Satava, V., 1979, Heat capacities of C3AH6, C4ASH12 and C6AS3H32: Thermochimica Acta, v. 31, p. 126-128
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# 79kru/rob Krupka, K.M., Robie, R.A., Hemingway, B.S., 1979. High-temperatur heat capacities of corundum, periclas, anorthite, CaAl2S2O8 glass, muscovite, pyrophyllite, KAlSi3O8 glass, grossular and NaAlSi3O8 glass. Am. Mineral., 64, p. 86-101
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# 79lan Langmuir D., 1979, Techniques of estimating thermodynamic properties for some aqueous complexes of geochemical interest, in Jenne, E.A., ed., Chemical Modeling in Aqueous systems: Speciation, Sorption, Solubility, and Kinetics: ACS Symp. Ser. 93, Amer. Ch
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# 79lle Iler R.K., 1979. The Chemistry of Silica: Solubility, Polymerization, Colloid and Surface Properties, and Biochemistry. Wiley, New York.
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# 79mat/spo Mattigod S.V., and Sposito G., 1979, Chemical modeling of trace metal equilibria in contaminated soil solutions using the computer program GEOCHEM. In: Chemical Modeling in Aqueous Systems: Speciation, Sorption, Solubility, and Kinetics, E.A. Jenne (Ed),
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# 79may/hel May H.M., Helmke P.A., and Jackson M.L., 1979. Gibbsite solubility and thermodynamic properties of hydroxy aluminum ions in aqueous solution at 25 C. Geochimica et Cosmochimica Acta, 43, 861 868.
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# 79vie/tar Vieillard P., Tardy Y., Nahon D., 1979, Stability field of clays and aluminum phosphates: Parageneses in lateritic weathering of argillaceous phosphatic sediments. Am. Miner., 64, 626-634
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# 79vol Volkov A.I., 1979, Thermochemical study of 3d element orthophosphates. Khim. Khim. Tekhnol. (Minsk), 14, 58-64 (in russian)
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# 80bal/nor Ball J.W., Nordstrom D.K., Everett A.J., 1980, Additional and revised thermochemical data and computer code for WATEQ 2. A computerized chemical model for trace and major element speciation and mineral equilibria of natural waters. US Geol. Surv. Wat. Res
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# 80cle/joh Clever H.L. and Johnston F.J., 1980. The solubility of some sparingly soluble lead salts: An evaluation of the solubility in water and aqueous electrolyte solutions, J. Phys. Chem. Ref. Data, 9, p. 751 784.
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# 80har/wea Harvie C.E., and Weare J.H., 1980. The prediction of mineral soluhilities in natural waters: the Na K Mg Ca Cl SO4 H2O system from zero to high concentration at 25 C. Geochimica et Cosmochimica Acta, 44, p. 981 997.
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# 80hem/mon Hemley J.J., Montoya J.W., Marinenko J.W., and Lute R.W., 1980. Equilibria in the system Al2O3 SiO2 H2O and some general implications for alteration/mineralization processes. Econ. Geol., 75, p. 210 228.
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# 81bae/mes Baes Jr. C.F., and Mesmer R.E., 1981. The thermodynamics of cation hydrolysis. Am. J. Sci., 281, p. 935-962.
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# 81tur/whi Turner D.R., Whitfield M. and Dickson A.G., 1981. The equilibrium speciation of dissolved components in freshwater and seawater at 25 C and 1 atm. pressure. Geochim. Cosmochim. Acta, 45, p. 855 881.
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# 82bar/mcc Barbero J.A., McCurdy K.G., and Tremaine P.R., 1982. Apparent molal heat capacities and volumes of aqueous hydrogen sulphide and sodium hydrogen sulfide near 25 C: The temperature dependence of H2S ionization. Canadian J. Chem., 60, p. 1872 1880.
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# 82bil/sch Bilinski H., and Schindler P., 1982. Solubility and equilibrium constants of lead in carbonate solutions (25 C, I = 0.3 mol dm 3). Geochimica et Cosmochimica Acta, 46, p. 921 928.
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# 82cox/wag Cox J.D., Wagman D.D., et Medvedev V.A., 1989. CODATA Key Values for Thermodynamics.: editors. Hemisphere Publishing Corp.: New York. 279 pp.
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# 82dek DeKock, C.W., 1982, Thermodynamic properties of selected transition metal sulfates and their hydrates: U.S. Bur. Mines Info. Circ. 8910, 45 p.
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# 82far/fra V.C. Farmer and A.R. Fraser, Chemical and colloidal stability of sols in the Al2O3-Fe2O3-SiO2-H2O system: Their role in podzolization, J. Soil Sci. 33 (1982), pp. 737-742
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# 82joh/flo Johnson G. K., Flotow H. E., O'Hare P. A. G., and Wise W. S. (1982) Thermodynamic studies of zeolites : analcime and dehydrated analcime. American Mineralogist 67, 736-748.
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# 82pan Pankratz L. B., 1982, Thermodynamic Properties of Elements and Oxides (U. S. Bureau of Mines Bulletin 672, 1982, 509 p).
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# 82pat/slo Patterson C.S., Slocum G.H., Busey R.H., and Mesmer R.E., 1982. Carbonate equilibria in hydrothermal systems: first ionization of carbonic acid in NaCl media to 300 C. Geochimica and Cosmochimica Acta, 46, p. 1653
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# 82plu/bus Plummer, L.N. and Busenberg, E., 1982. The Solubilities of Calcite, Aragonite, and Vaterite in CO2-H2O Solutions Between 0 and 90 C and an Evaluation of the Aqueous Model of the System CaCO3-CO2-H2O. Geochimica et Cosmochimica Acta, Vol. 46, p. 1011-1040.
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# 82ric/bot Richet P., Bottinga Y., Denielon L., Petitet J.P., and Tequi C., 1982. Thermodynamics properties of quartz, cristobalite and amorphous SiO2: Drop calorimetry measurements between 1000 and 1800 K and a review from 0 to 2000 K. Geochimica et Cosmochimica Acta, 46, p. 2639-2658.
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# 82van Vanderzee C.E., 1982. Thermodynamic relations and equilibria in (Na2CO3 + NaHCO3 + H2O): Standard Gibbs energies of formation and other properties of sodium hydrogen carbonate, sodium carbonate heptahydrate, sodium carbonate decahydrate, trona: (Na2CO3CNaHCO3C2H2O), and Wegscheider's salt: (Na2CO3C3NaHCO3). J. Chem. Thermodynamics, 14, 219-238
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# 82wag/eva Wagman D.D., Evans W.H., Parker V.B., Schumm R.H., Halow I., Bailey S.M., Churney K.L., and Nutall R.L., 1982. The NBS Tables of Chemical Thermodynamic Properties. J. Phys. Chem. Ref. Data, 11, Suppl. 2.
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# 83bow/hel Bowers, T.S., and Helgeson, H.C., 1983, Calculation of the thermodynamic and geochemical consequences of nonideal mixing in the system H2O-CO2-NaCl on phase relations in geologic systems: Equation of state for H2O-CO2-NaCl fluids at high pressures and temperatures: Geochim. Cosmo. Acta, v. 47, pp. 1247-1275.
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# 83joh/flo Johnson G. K., Flotow H. E., and O'Hare P. A. G. (1983) Thermodynamic studies of zeolites:natrolite mesolite and scolecite. American Mineralogist 68, 1137-1145
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# 83mic/deb Micskei K., Debreczeni F. and Nagypal I., 1983. Equilibria in aqueous solutions of some chromium (2+) complexes. J. Chem. Soc. Dalton Trans., p. 1335-1338.
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# 83miy/kle Miyano T, Klein C (1983 a) Phase relations of orthopyroxene, olivine, and grunerite in high-grade metamorphic iron-formation.Am Mineral 68:699-716
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# 83san/bar Sangameshwar S.R., and Barnes H.L., 1983. Supergene processes in zinc lead silver sulfide ores in carbonates, Econ. Geol., 78, p 1379 1397.
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# 84bus/plu Busenberg E., Plummer L.N. and Parker V.B., 1984. The solubility of strontianite (SrCO3) in CO2-H2O solutions between 2 and 91 C, the association constants of SrHCO3+(aq) and SrCO3O(aq) between 5 and 80 C, and an evaluation of the thermodynamic properties of Sr++(aq) and SrCO3(cr) at 25 C and 1 atm total pressure. Geochim. et Cosmochim. Acta, 48, p. 2021-2035.
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# 84har/mol Harvie C.E., Moller N., and Weare J.H.. 1984, The prediction of mineral solubilities in natural waters: The Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O system to high ionic strengths at 25 C. Geochimica Cosmochimica Acta, 48, pp. 723-751.
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# 84mak Makarov, T.I., Sidorov, Y.I., and Naumov, V.B. (1984) Formation conditions for iron minerals in ultrabasic-alkali metasomites. Geochemistry International, 21, 148-160.
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# 84nan Nancollas G.H., 1984, The nucleation and growth of phosphate minerals, Chap. 2. In: Phosphate Minerals, J.O. Nriagu and P.B. Moore (Eds), Springer-Verlag, ISBN 3-540-12757-7, 318-329
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# 84nri Nriagu J.O., 1984, Formation and stability of base metal phosphates in soils and sediments, Chap. 10. In: Phosphate Minerals, J.O. Nriagu and P.B. Moore (Eds), Springer-Verlag, ISBN 3-540-12757-7, 318-329
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# 84pan Pankratz L. B., 1984, Thermodynamic Properties of Halides (U. S. Bureau of Mines Bulletin 674, 1984, 826 p).
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# 84pan/stu L.B. Pankratz, J.M. Stuve, and N.A. Gokcen, 'Thermodynamic Data for Mineral Technology,' Bulletin 677, U.S. Bureau of Mines (1984).
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# 84rob/hem Robie R. A. and Hemingway B. S., 1984. Heat capacities and entropies of phlogopite KMg3AlSi3O1O(OH)2 and paragonite NaAl2AlSi3O1O(OH)2 between 5 and 9OO K and estimates of the enthalpies and Gibbs free energies of formation. Amer. Miner., 69, p. 858-868.
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# 84sew Seward T. M., 1984. The formation of lead (II) chloride complexes to 300 C. A spectrophotometric study. Geochim. Cosmochim. Acta, 48, p. 121 134.
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# 84tay/lop Taylor P., and Lopata V.J., 1984. Stability and solubility relationships between some solids in the system PbO CO2 H2O. Can. J. Chem., 62, p. 395 402.
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# 84vie/tar Vieillard P., Tardy Y., 1984, Thermochemical properties of phosphates, Chap. 4. In: Phosphate Minerals, J.O. Nriagu and P.B. Moore (Eds), Springer-Verlag, New York, ISBN 3-540-12757-7, 171-198
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# 85bab/mat Babushkin, V.I., Matveyev, G.M., and Mchedlov-Petrossyan, O.P. 1985. Thermodynamics of Silicates. New York, New York: Springer-Verlag. NNA.19920401.0112
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# 85ber/bro Berman, R.G., Brown, T.H., 1985. Heat capacity of minerals in the system Na2O-K2O-CaO-MgO-FeO-Fe2O3-AI2O3-SiO2-TiO2-H2O-CO2: representation, estimation and high temperature extrapolation. Contribution to Mineralogy and Petrolology 89, 168-183.
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# 85cha/dav Chase, M. W., Jr., C. A. Davies, J. R. Downey, Jr., D. J. Frurip, R. A. McDonald, and A. N. Syverud 1985. JANAF Thermochemical Tables, 3rd. ed., J. Phys. Chem. Ref. Data 14, Suppl. 1, Am. Chem. Soc. and Am. Inst. of Physics, Washington, D. C.
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# 85gol/par Goldberg R.N., and Parker V.B., 1985. Thermodynamics of solution of SO2(g) in water and of aqueous sulfur dioxide solutions. J. Res. Natl. Bur. Stand., 90, p. 341 358.
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# 85hel Helgeson, H.C., 1985, Errata II. Thermodynamics of minerals, reactions, and aqueous solutions at high pressures and temperatures: Amer. Jour. Sci., v. 285, pp. 845-855.
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# 85jac/hel Jackson, K.J., and Helgeson, H.C., 1985, Chemical and thermodynamic constraints on the hydrothermal transport and deposition of tin: II. Interpretation of phase relations in the Southeast Asian tin belt: Econ. Geol., v. 80, no. 5, pp. 1365-1378.
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# 87fer Fernandez Guillermet A. (1987) Critical evaluation of the thermodynamic properties of cobalt. Int. J. Thermophys., 8 (4), 481-510
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# 87gar/par CODATA87 Garvin D., Parker V.B and White H.J., 1987. CODATA Series on Thermodynamic Properties, Hemisphere, Washington, DC.
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# 87pan/mah Pankratz L. B., 1987, A. D. Mah, and S. W. Watson, Thermodynamic Properties of Sulfides (U. S. Bureau of Mines Bulletin 689, 1987, 427 p).
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# 87rai/sas Rai D., Sass B.M. and Moore D.A., 1987. Chromium (III) hydrolysis constants and solubility of chromium (III) hydroxide. Inorg. Chem., 26, p. 345-349.
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# 87sve Sverjensky, D.A., 1987, Calculations of the thermodynamic properties of aqueous species and the solubilities of minerals in supercritical electrolyte solutions, in Carmichael, I.S.E. and H.P. Eugster, eds., Thermodynamic Modeling of Geologic Materials: Minerals, Fluids and Melts: Mineral. Soc. Amer., Reviews in Mineralogy, v. 17, pp. 177-209.
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# 87woo/gar Woods T. L. and Garrels R. M. (1987) Thermodynamic values at low temperature for natural inorganic materials. An uncritical summary. Oxford University Press, New York.
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# 88cha/new Chandratillake M.R., Newton G.W.A. and Robinson V.J., 1988. Chemval project EUR11891 EN. Comparison of thermodynamic databases used in geochemical modelling., 19 p.
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# 88eva/gug Evans B. and Guggenheim S. (1988) Talc, pyrophyllite, and related minerals, Hydrous Phyllosilicates (exclusive of micas). In: S.W. Bailey, Editor, Reviews in Mineralogy vol. 19 (1988), pp. 225-294.
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# 88haa Haas J.L., Jr. (1988) Recommended standard electrochemical potentials and fugacities of oxygen for the solid buffers and thermodynamic data in the systems iron-silicon-oxygen, nickel-oxygen, and copper-oxygen. Preliminary report of January 17, 1988 to the CODATA Task Group on Chemical Thermodynamic Tables, U.S. Geological Survey, Reston, Virginia.
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# 88mer Merlino, S., 1988, Gyrolite: its crystal structure and crystal chemistry. Mineralogical Magazine, v. 52, p. 377-387.
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# 88mol Moller N., 1988. The prediction of mineral solubilities in natural waters: A chemical equilibrium model for the Na Ca Cl SO4 H2O system, to high temperature and concentration. Geochirmica et Cosmochimica Acta, 52, p. 821 837.
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# 88phi/hal Phillips, S.L., Hale, F.V., Silvester, L.F., and Siegel, M.D. (1988) Thermodynamic tables for nuclear waste isolation, an aqueous solutions database. vol 1, 181 p. Report NUREG/CR-4864, LBL-22860, SAND87-0323, Lawrence Berkeley Laboratory, Berkeley, California.
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# 88rea Reardon E. (1988) J. Phys. Chem., 92, 6426-6431
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# 88rua Ruaya J.R., 1988. Estimation of instability constants of metal chloride complexes in hydrothermal solutions up to 300 C. Geochimica et Cosmochimica Acta, 52, p. 1983 1996.
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# 88sac/pas Sacerdoti M., Passaglia E. (1988) Neues Jb. Miner., Mh., H.10, 462-475
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# 88sho/hel Shock E.L. and Helgeson H.C., 1988. Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: Correlation algorithms for ionic aqueous species and equation of state predictions to 5 kb and 1000 C. Geochim. Cosmochim. Acta, 52, pp. 2009-2036.
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# 88sto Stoessell, R. K. (1988) 25oC and 1 atm dissolution experiments of sepiolite and kerolite: Geochimica Cosmochimica Acta, 52, 365-374.
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# 89asho/hel Shock, E.L., and Helgeson, H.C., 1989, Corrections to Shock and Helgeson (1988): Geochim. Cosmo. Acta, v. 53, p. 215.
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# 89bar/sau Barin, I., F. Sauert, et al. (1989). Thermochemical Data of Pure Substances. Germany, VCH, Verlagsgesellschaft.
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# 89bsho/hel Shock E.L., Helgeson H.C. and Sverjensky D.A., 1989. Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: Standard partial molal properties of inorganic neutral species. Geochim. Cosmochim. Acta, 53, pp. 2157-2183.
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# 89cox/wag Cox J.D., Wagman D.D., and Medvedev V.A., 1989. CODATA Key Values for Thermodynamics. Hemisphere Publishing Corp., New York, 279 p.
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# 89mar/smi Martell A.E., and Smith R.M., 1989, Critical Stability Constants, Vol. 3: Other Organic Ligands (2nd printing). Plenum, New York, 495 p.
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# 89pan/sus Pan P. and Susak N.J. (1989) Co(II)-chloride and -bromide complexes in aqueous solutions up to 5 m NaX and 90[deg]C: Spectrophotometric study and geological implications. Geochimica et Cosmochimica Acta 53(2), 327-341.
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# 89sch/her Schwab R. G., Herold H., Costa M. L. D., and Oliveira N. P. (1989) The formation of aluminous phosphates through lateritic weathering of rocks. Weathering 2, 369-386.
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# 90hem Hemingway B. S. (1990) Thermodynamic properties for bunsenite, NiO, magnetite, Fe3O4, and hematite, Fe2O3, with comments on selected oxygen buffer reactions. American Mineralogist 75(7-8), 781-790.
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# 90hol/pow Holland T. J. B. and Powell R. (1990) An enlarged and updated internally consistent thermodynamic dataset with uncertainties and correlations: the system K2O-Na2O-CaO-MgO-MnO-FeO-Fe2O3-Al2O3-TiO2-SiO2-C-H2-O2. Journal of Metamorphic Geology 8(1), 89-124.
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# 90kun/kih Kuniaki Kihara (1990) Eur. J. Mineral., 2, 63-77
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# 90nor/plu Nordstrom D.K., Plummer L.N., Langmuir D., Busenberg E., May H.M., Jones B.F., and Parkhurst D.L., 1990. Revised chemical equilibrium data for major water-mineral reactions and their limitations, in Bassett, R.L. and Melchior, D. eds., Chemical modeling in aqueous systems II: Washington D.C., American Chemical Society Symposium Series 416, p. 398-413.
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# 90pap/ber V.G. Papangelakis, D. Berk and G.P. Demopoulos, Mathematical modeling of an exothermic leaching reaction system: pressure oxidation of wide size arsenopyrite particulates. Metall. Trans. B, 21B (1990), pp. 827-837.
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# 90rin/sac Rinaldi R., Sacerdoti M., Passaglia E. (1990) Eur. J. Mineral., 2, 841-849
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# 90rob/cam Roberts, Willard L., Campbell, Thomas J., and Rapp, George R.: Encyclopedia of Minerals. (Van Nostrand Reinhold Co., 2nd ed., 1990)
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# 90sho/hel Shock, E.L., and Helgeson, H.C., 1990, Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: Standard partial molal properties of organic species: Geochim. Cosmo. Acta, v. 54, pp. 915-945.
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# 90sto/cyg Stoffregen R. E., Cygan G.L. (1990). An experimental study of Na-K exchange between alunite and aqueous sulfate solutions. Am. Min., 75:209-220
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# 91all/bro Allison J.D., Brown D.S., and Novo-Gradac K.J. 1991. Minteqa2/prodefa2, a geochemical assessment model for environmental systems: version 3.0 user's manual, EPA/600/3-91/021, March 1991 by U.s. Environmental Protection Agency Athens, Georgia 30605.
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# 91atk/gla Atkins, M., Glasser, F.P., Kindness, A., and MacPhee, D.E. 1991. Solubility Data for Cement Hydrate Phases (25 C). Washington, District of Columbia: U.S. Department of Energy. (DOE/HMIP/RR/91/032)
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# 91din Dinsdale A.T., 1991. SGTE Data for Pure Elements, CALPHAD, 15(4), p. 317-425.
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# 91hem/rob Hemingway B.S., Robie R.A., and Apps J.A., 1991. Revised values for the thermodynamic properties of boehmite, AlO(OH), and related species and phases in the system Al O H. Am. Mineral., 76, p. 445-457.
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# 91kna/kub O. Knacke, O. Kubaschewski and K. Hesselmann: Thermochemical Properties of Inorganic Substances, Second Edition, (Springer-Verlag, 1991)
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# 91kon/hau Konigsberger E., Hausner R., and Gamsjager H., 1991. Solid solute phase equilibria in aqueous solution. V: The system CdC03 CaC03 C02 H20. Geochimica and Cosmochimica Acta, 55, p. 3505 3514.
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# 91nag/las Nagy K.L., and Lasaga A.C., 1991. Dissolution and precipitation kinetics of gibbsite at 80 C and pH 3: The dependence on solution saturation state. Geochimica et Cosmochimica Acta, 56, p. 3093 3111.
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# 91pab/pit Pabalan R., Pitzer K. (1991) in: K. Pitzer (Ed.), Activity Coefficients in Electrolyte Solutions, Chapter 7. CRC Press, Boca Ration, FL
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# 91rai/fel Rai D., Felmy A.R., and Szelmeczka R.W., 1991. Hydrolysis Constants and Ion Interaction Parameters For Cd(II) in Zero to High Concentrations of NaOH KOH, and the Solubility Product of Crystalline Cd(OH)2. Journal of Solution Chemistry, 20, p. 375 390.
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# 91rob/hem Robie R.A. and Hemingway B.S. (1991) - Heat capacities of kaolinite from 7 to 380 K and of DSMO-intercalated kaolinite AI2Si20 (OH). Clays and Clay Minerals, 39, p. 362-368
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# 91sve/hem Sverjensky, D.A., Hemley, J.J., and D'Angelo, W.M., 1991, Thermodynamic assessment of hydrothermal alkali feldspar- mica-aluminosilicate equilibria: Geochim. Cosmo. Acta, v. 55, pp. 989-1004.
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# 92ajoh Ref. 1+19 in slop98.dat: GEOPIG., 1998. Slop98.dat, http://geopig.asu.edu/supcrt_data.html, Washington University.
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# 92bal/nor Ball J.W., and Nordstrom D.K., 1992. User's manual for WATEQ4F, with revised thermodynamic data base and test cases for calculating speciation of major, trace and redox elements in natural waters. U.S. Geol. Survey Open-File Report 91-183 (revised and reprinted 1992), Menlo Park, California. 189 pp.
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# 92bjoh Ref. 17 in slop98.dat: GEOPIG., 1998. Slop98.dat, http://geopig.asu.edu/supcrt_data.html, Washington University.
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# 92bru/stu Bruno J., Stumm W., Wersin P., and Brandberg F. (1992) On the influence of carbonate in mineral dissolution: I. The thermodynamics and kinetics of hematite dissolution in bicarbonate solutions at T = 25 C. Geochimica et Cosmochimica Acta 56(3), 1139-1147.
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# 92bru/wer Bruno J., Wersin P., and Stumm W. (1992) On the influence of carbonate in mineral dissolution: II. The solubility of FeCO3 (s) at 25 C and 1 atm total pressure. Geochimica et Cosmochimica Acta 56(3), 1149-1155.
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# 92cir/nav Circone S. and Navrotsky A., 1992. Substitution of (6,4)Al in phlogopite : high pressure solution calorimetry , heat capacities and thermodynamic properties of the phlogopite -eastonite join. American Mineralogist, 77, p. 1191-1205.
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# 92cjoh Ref. 7+9+19 in slop98.dat: GEOPIG., 1998. Slop98.dat, http://geopig.asu.edu/supcrt_data.html, Washington University.
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# 92cle/der Clever L.H., Derrick E.M., and Johnson S.A., 1992. The solubility of Some Sparingly Soluble Salts on Zinc and Cadmium In water and in aqueous electrolyte solutions. J. Phys. Chem. Ref. Data, 21, p. 941 966.
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# 92gre/fug Grenthe I., Fuger J., Konings R.J.M., Lemire R.J., Muller A.B., Nguyen Trung C., and Wanner H., 1992. Chemical Thermodynamics, Volume 1: Chemical Thermodynamics of Uranium. North Holland, Amsterdam, 1, 714 pp.
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# 92joh/oel Johnson J.W., Oelkers E.H. and Helgeson H.C., 1992. SUPCRT92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000'C. Comput.Geosci., 18, p. 899
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# 92joh/tas Johnson G. K., Tasker I. R., Flotow H. E., and O'Hare P. A. G. (1992) Thermodynamic studies of mordenite,dehydrated mordenite and gibbsite. American Mineralogist 77(1-2), 85-93
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# 92pal/wes Palmer D.A., and Wesolowski D.J., 1992. Aluminum speciation and equilibria in aqueous solution: II. The solubility of gibbsite in acidic sodium chloride solutions from 30 to 70 C. Geochimica et Cosmochimica Acta, 56, p. 1093 1111.
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# 92plo/wic Plodinec M. J. and Wicks G. G. (1992) Applications of hydration thermodynamics to in-situ tests results. In: Proc. Workshop on In Situ Testiong of Radioactive Waste Forms and Engineered Barriers, Corsendonk, Belgium, oct. 13-16, 1992.
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# 92sea/rob Seal R.R., Robie R.A., Barton P.B., and Hemingway B.S. (1992) Superambient heat capacities of synthetic stibnite, berthierite, and chalcostibnite: Revised thermodynamic properties and implications for phase equilibria. Econ. Geol. 87, 1911-1918.
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# 92sho Shock, E.L., 1992, Stability of peptides in high-temperature aqueous solutions: Geochim. Cosmo. Acta, v. 56, pp. 3481-3491.
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# 92sti/par Stipp S.L.S., Parks G.A., Nordstrom K.D., and Leckie J.O., 1992. Solubility product constant and thermodynamic properties for synthetic otavite, CdC03(s) and aqueous association constants for the Cd( II) C02 H20 system. Geochimica et Cosmochimica Acta, 57
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# 92tay Taylor, H. F. W., 1992, Cement Chemistry, third edition: London, Thomas Telford, 475 p.
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# 92wol Wolery T.J., 1992. EQ3/6: A software Package for Geochemical Modelling of Aqueous Systems: Package Overview and Installation Guide. Technical Report UCRL-MA-110662 PT I ed., Lawrence Livermore National Laboratory (USA).
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# 93bal/chr Balarew C., Christov C., Valyashko V., Petrenko S. (1993) J. Solution Chem., 22, 173-181
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# 93bar Barin, I. (1993) Thermochemical Data of Pure Substances, Weinheim, FRG, VCH.
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# 93pal/wel Palmer D.A., and Wesolowski D.J., 1993. Aluminum speciation and equilibrium in aqueous solution: III. Potentiometric determination of the first hydrolysis constant of aluminum (III) in sodium chloride solutions to 125 C. Geochim. Cosmochim. Acta, 57, p. 2
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# 93sax/cha Saxena S.K., Chaterjee N., Fei Y., Shen G. (1993) Thermodynamic data on oxides and silicates. Springer. New-York.
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# 93sch/got Schwab R. G., Gotz C., Herold H., and Oliveira N. P. (1993) Compounds of the crandallite type-Thermodynamic properties of Caphosphates, Sr-phosphates, Ba-phosphates, Pb-phosphates, La-phosphates, Ce-phosphates to Gd-phosphates and Ca-arsenates, Ba-arsenates, Pb-arsenates, La-arsenates, Ce-arsenate.Srarsenates, Neues Jahrb Miner Monatsh. 12, 551-568.
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# 93sch/sho Schulte, M.D., and Shock, E.L., 1993, Aldehydes in hydrothermal solution: Standard partial molal thermodynamic properties and relative stabilities at high temperatures and pressures: Geochim. Cosmo. Acta, v. 57, pp. 3835-3846.
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# 93sho Shock, E.L., 1993, Hydrothermal dehydration of aqueous organic compounds: Geochim. Cosmo. Acta, v. 57, pp. 3341-2249.
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# 93sho/kor Shock, E.L., and Koretsky, C.M., 1993, Metal-organic complexes in geochemical processes: Calculation of standard partial molal thermodynamic properties of aqueous acetate complexes at high pressures and temperatures: Geochim. Cosmo. Acta, v.57, pp. 4899-4
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# 93sho/mck Shock, E.L., and McKinnon, W.B., 1993, Hydrothermal Processing of Cometary Volatiles--Applications to Triton: Icarus, v. 106, pp. 464-477.
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# 93sto Stoffregen R.E. (1993). Stability relations of jaroiste and natrojarosite. Geoch. And Cosmoch. Acta, 57, 2417-2419.
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# 94aki/zot Akinfiev N.N., Zotov A.V., and Shikina N.D. (1994) Experimental investigation and thermodynamic correlation in the Sb(III)-S(II)-O-H system. Geochem. Intern. 31, 27-40.
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# 94alb/tom Al-Borno, A., Tomson, M.B. (1994) The temperature dependence of the solubility product constant of vivianite. Geochim. Cosmochim. Acta 58, 5373-5378
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# 94dam/str Damidot, D., Stronach, S., Kindness, A., Atkins, M., and Glasser, F.P. 1994. Thermodynamic investigation of the CaO-Al2O3-CaCO3-H2O closed system at 25C and influence of Na2O. Cem. Concr. Res. 24(3):563-572.
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# 94dia/kho I. Diakonov, I. Khodakovsky, J. Schott, E. Sergeeva (1994) Thermodynamic properties of iron oxides and hydroxides. I. Surface and bulk thermodynamic properties of goethite (alpha-FeOOH) up to 500 K. Eur. J. Mineral., 6(6), 967-983.
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# 94pan Pankratz L. B., 1994, Thermodynamic Properties of Carbides, Nitrides, and Other Selected Substances (U. S. Bureau of Mines Bulletin 696, 1994, 957 p).
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# 95ant/bid Anthony J.W., Bideaux R.A., Bladh K.W. and Nichols M.C., 1995. Handbook of Mineralogy, Volume II. Silica, Silicates. Mineral Data Publishing, Tucson, 904 pp., 2 vols.
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# 95bev/pui Beverskog, B., Puigdomenech, I. (1995) Revised Pourbaix diagrams for iron at 25-300 C; Corr. Sci. 38, p. 2121-2135.
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# 95bou Bourbon X., 1995. Selection de donnees thermodynamiques afferentes aux corrections de Temperature sur les equilibres chimiques. I/II Analyse de bases de donnees. ANDRA Report, C RP O. HEM 95.001.
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# 95dac/ben Dachs, E. and Benisek, A., 1995. The stability of annite+quartz: reversed experimental data for the reaction 2 annite+3 quartz=2 sanidine+3 fayalite+2 H2O. Contributions to Mineralogy and Petrology, 121, p. 380-387.
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# 95dai/pos Dai, Y., and Post, J. E,. 1995, Crystal structure of hillebrandite: a natural analogue of calcium silicate hydrate (CSH) phases in Portland cement: American Mineralogist, v. 80, p. 841-844.
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# 95haa/sho Haas, J.R., Shock, E.L., and Sassani, D.C., 1995, Rare earth elements in hydrothermal systems: Estimates of standard partial molal thermodynamic properties of aqueous complexes of the rare earth elements at high pressures and temperatures: Geochim. Cosmo. Acta, v. 59, no. 21, pp. 4329-4350.
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# 95has/cyg Haselton H.T., Cygan G.L. and Jenkins D.M., 1995. Experimental study of muscovite stability in pure H 2 O and 1 molal KCl-HCl solutions. Geochimica et Cosmochimica Acta, 59, p. 429-442
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# 95jem/che Jemal M., Ben Cherifa A., Kattech I. and Ntahomvukiye I., 1995. Standard enthalpies of formation and mixing of hydroxy- and fluorapatites. Thermochimica Acta, 259, p. 13-21
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# 95mar/mac Marani D., Macchi G., and Pagano M., 1995. Lead precipitation in the presence of sulphate and carbonate : testing of thermodynamic predictions. Water Research, 29, p. 1085 1092.
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# 95mir/kis Mironova V.E., Kiselev V.P., Egizaryan M.B., Golovnev N.N., Pashkov G.L. (1995) Ion association in aqueous solutions of calcium arsenate. Russ. J. Inorg. Chem., 40, 1690-1691
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# 95par/kho Parker, V.B., Khodakovsky, I.L. (1995) Thermodynamic properties of aqueous ions (2+ et 3+) of iron and the key compouds of iron. J. Phys. Chem. Ref. Data 24 (5) p. 1699-1745.
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# 95pok/hel Pokrovskii, V.A., and Helgeson, H.C., 1995, Thermodynamic properties of aqueous species and the solubilities of minerals at high pressures and temperatures: The system Al2O3-H2O-NaCl: Amer. J. Sci., 295, 1255-1342.
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# 95pok/sch Pokrovski G.S., Schott J. and Sergeyev A.S., 1995. Experimental determination of the stability constants of NaSO4minus and NaB (OH)40 in hydrothermal solutions using a new high-temperature sodium-selective glass electrode - Implications for boron isotopic fractionation. Chemical Geology, 124, p. 253-265.
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# 95rob/hem Robie R.A., and Hemingway B.S., 1995. Thermodynamic properties of minerals and related substances at 298.15 K and 1 Bar (105 Pascals) pressure and at higher temperatures. U.S. Geol. Survey Bull., 2131, 461 pp.
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# 95sho Shock, E.L., 1995, Organic acids in hydrothermal solution: Standard molal thermodynamic properties of carboxylic acids and estimates of dissociation constants at high temperatures and pressures: Amer. Jour. Science, v. 295, pp. 496-580.
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# 95sho/kor Shock, E.L., and Koretsky, C.M., 1995, Metal-organic complexes in geochemical processes: Estimation of standard partial molal thermodynamic properties of aqueous complexes between metal cations and monovalent organic acid ligands at high pressures and temperatures. Geochim. Cosmo. Acta, 59, pp. 1497-1532.
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# 95sil/bid Silva R.J., Bidoglio G., Rand M.H, Robouch P.B., Wanner H., and Puigdomenech I., 1995. Chemical Thermodynamics Vol.2. Chemical Thermodynamics of Americium. NEA, Elsevier.
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# 95tro Trotignon L. (1995) Critique et selection de donnees thermodynamiques en vue de modeliser les equilibres mineral-solution. Rapport annuel 1995 SESD95/49
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# 96abar/pal Baron D. and Palmer C. D., 1996a. Solubility of KFe3(CrO4)2(OH)6 at 4-35 C. Geochim. Cosmochim. Acta, 60, pp. 3815-3824.
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# 96arc Archer D.G., 1996. Thermodynamic Properties of Synthetic Otavite, CdCO3(cr): Enthalpy Increment Measurements from 4.5 K to 350 K. J. Chem. Eng. Data, 41, p. 852 858.
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# 96bbar/pal Baron D. and Palmer C. D. (1996b) Solubility of jarosite at 4-35 C. Geochim. Cosmochim. Acta 60, 185-195.
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# 96bev/pui Beverskog, B., Puigdomenech, I., 1996. Revised pourbaix diagrams for iron at 25-300 C. Corros. Sci. 38, 2121-2135.
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# 96bou Bourbon X., 1996. Selection de donnees thermodynamiques afferentes aux corrections de Temperature sur les equilibres chimiques (Sodium, Potassium, cesium, Magnesium, Calcium, Strontium, Cobalt, Nickel, Paladium). ANDRA Report, CRP OHEM 96.001.
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# 96fal/rea Falck W.E., Read D. and Thomas J.B., 1996. Chemval2: thermodynamic database EUR16897 EN
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# 96gal/boll Gal J.Y., Bollingerb J.C., Tolosa H., and Gache N., 1996. Calcium carbonate solubility: a reappraisal of scale formation and inhibition. Talanta, 43, p. 1497 1509.
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# 96gem GEMBOCHS, 1996, THERMODYNAMIC DATABASE: thermo.com.V8.R6.full, generated by GEMBOCHS.V2-Jewel.src.R6 03-dec-1996 16:55:04
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# 96hud/str Hudson Lamb D.L., Strydom C.A., and Potgieter J.H., 1996. The thermal dehydration of natural gypsum and pure calcium sulphate dihydrate (gypsum). Thermochimica Acta, 282/283, p. 483 492.
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# 96kis/nav Kiseleva I., Navrotsky A., Belitskii I. A., and Fursenko B. A. (1996) Thermochemistry and phase equilibria in calcium zeolites. American Mineralogist 81(5-6), 658-667
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# 96pok/gou Pokrovski G., Gout R., Schott J., Zotov A. and Harrichoury J.C., 1996. Thermodynamic properties and stoichiometry of As (III) hydroxide complexes at hydrothermal conditions. Geochimica et Cosmochimica Acta, 60, 737-749
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# 96rou/hov Roux J. and Hovis G. L., 1996. Thermodynamic mixing models for muscovite-paragonite solutions based on solution calorimetric and phase equilibrium data. Journal of Petrology, 37, p. 1241-1254
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# 96su/har Su, C., and J.B. Harsh. 1996. Influence of soluble aluminosilicate complex formation on imogolite solubility determination. Geochim. Cosmochim. Acta 60:4275-4277.
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# 97all/dol Allal K. M., Dolinger J.-C., and Martin G. (1997) Determination of thermodynamical data of calcium hydroxichloride. Revue de l'Institut Francais du Petrole 52(3), 361-368.
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# 97apok/hel Pokrovskii V.A., and Helgeson H.C., 1997a. Thermodynamic properties of aqueous species and the solubilities of minerals at high pressures and temperatures: the system Al2O3 H2O KOH. Chemical Geology, 137, p. 221 242.
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# 97asho/sas Shock, E.L., Sassani, D.C., Willis, M., and Sverjensky, D.A., 1997, Inorganic species in geologic fluids: Correlations among standard molal thermodynamic properties of aqueous ions and hydroxide complexes: Geochim. Cosmo. Acta, v. 61, no. 5, pp. 907-950.
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# 97ben/dia Benezeth P., Diakonov I.I., Pokrovski G.S., Dandurand J.L., Schott J. and Khodakovsky I.L., 1997. Gallium speciation in aqueous solution. Experimental study and modelling: Part 2. Solubility of alpha-GaOOH in acidic solutions from 150 to 250 C and hydrolysis constants of gallium (III) to 300oC. Geochim. Cosmochim. Acta, 61, pp. 1345-1357
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# 97bon/hea Bond K. A., Heath T. G. and Tweed C. J., 1997. HATCHES: A Referenced Thermodynamic Database for Chemical Equilibrium Studies. Nirex Report NSS/R379
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# 97bpok/hel Pokrovskii V., and Helgeson H.C., 1997b. Calculation of the standard partial molal thermodynamic properties of KCl0 and activity coefficients of aqueous KC1 at temperatures and pressures to 1000 C and 5 kbar. Geochimica et Cosmochimica Acta, 61, p. 2175-2183.
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# 97bsho/sas Shock, E.L., Sassani, D.C., and Betz, H., 1997, Uranium in geologic fluids: Estimates of standard partial molal properties, oxidation potentials, and hydrolysis constants at high temperatures and pressures: Geohim. Cosmo. Acta, v. 61, no. 20, pp. 4245-426
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# 97coo/alb Coombs, D.S., Alberti, A., Armbruster, T., Artioli, G., Colella, C., Galli, E., Grice, J.D., Liebau, F., Mandarino, J.A., Minato, H., Nickel, E.H., Passaglia, E., Peacor, D.R., Quartieri, S., Rinaldi, R., Ross, M., Sheppard, R.A., Tillmanns, E., Vealini, G., 1997. Recommended nomenclature for zeolite minerals - report of the subcommittee on zeolites of the international mineralogical association, commission on new minerals and mineral names. Canadian Mineralogist, 35, 1571-1606.
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# 97cro Cromieres L., 1997. Selection de donnees thermodynamiques le cadmium, le mercure et le bore, et evaluation de leur manche. Technical report Andra C.RP.AMAT.97.043
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# 97csho/sas Shock, E.L., Sassani, D.C., and Betz, H., 1997, Uranium in geologic fluids: Estimates of standard partial molal properties, oxidation potentials, and hydrolysis constants at high temperatures and pressures: Geohim. Cosmo. Acta, v. 61, no. 20, pp. 4245-4266
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