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from complexes and organics correlation.", "ACETIC-ACID,AQ": "Plyasunov & Shock (2001)", "Ag+": "Shock & Helgeson (1988) revised with new predicted a1 for cations", "AgCl,aq": "Sverjensky et al. (1997) with new V greater than the sum of a1 values of ions", "AgCl2-": "Sverjensky et al. (1997) with new V greater than the sum of a1 values of ions", "Al+3": "Shock et al. (1997)", "AlO2-": "Sverjensky et al. (2014)", "AlO2(SiO2)-": "Huang & Sverjensky (2019)", "Ar,aq": "Shock et al. (1989)", "Au+": "Shock & Helgeson (1988) revised with new predicted a1 for cations", "Au+3": "Shock & Helgeson (1988) revised with new predicted a1 for cations", "B(OH)3,aq": "Shock, Helgeson & Sverjensky (1989)", "Ba+2": "Shock & Helgeson (1988) revised with new predicted a1 for cations", "BaCl+": "Sverjensky et al. (1997) with new V from the sum of a1 values of ions", "Be+2": "Shock & Helgeson (1988) revised with new predicted a1 for cations", "BENZENE,AQ": "Plyasunov & Shock (2001) for c1, c2 & omega; a1 predicted with new correlation for complex species from Sverjensky et al. (2014)", "bG,NaCl": "bG extended term parameter from Oelkers & Helgeson (1990)", "BO(OH),aq": "Revised May, 2013", "BO2-": "revised a1 - a4  using delkappan for BO2- instead of B(OH)4- used by Shock and Helgeson (1988); Shock et al. (1997)", "Br-": "Shock & Helgeson (1988)", "Ca(HCO3)+": "Huang & Sverjensky (2019)", "Ca(HCOO)+": "Huang & Sverjensky (2019)", "Ca(HSiO3)+": "Huang & Sverjensky (2019)", "Ca(OH)+": "Shock et al. (1997) with new a1 prediction", "Ca+2": "Facq et al. (2014)", "CaCl+": "Sverjensky et al. (1997) with new V from the sum of a1 values of ions", "CaCl2,aq": "Sverjensky et al. (1997) with new V from the sum of a1 values of ions", "CaCO3,aq": "Facq et al. (2014)", "CaO,aq": "Fitted by Dimitri to high PT retrieval's from Fang", "CaSO4,aq": "Sverjensky et al. (1997) revised using exptl V and pred. a1 from new correlation", "Cd+2": "Shock & Helgeson (1988) revised with new predicted a1 for cations", "Ce+3": "Shock & Helgeson (1988) revised with new predicted a1 for cations", "Ce+4": "Shock & Helgeson (1988) revised with new predicted a1 for cations", "Cl-": "Shock & Helgeson (1988)", "CN-": "Shock & Helgeson (1988) revised with new predicted a1 for cations", "CO,aq": "Shock & McKibben (1993) for c1, c2 and omega with revised a1 from correlation for complex species ", "Co+2": "Shock & Helgeson (1988) revised with new predicted a1 for cations", "Co+3": "Shock & Helgeson (1988) revised with new predicted a1 for cations", "CO2,aq": "Facq et al. (2014)", "CO3-2": "Facq et al. (2014)", "Cr+2": "Shock et al. (1997) revised with new predicted a1 for cations", "Cr+3": "Shock et al. (1997) revised with new predicted a1 for cations", "Cr2O7-2": "Shock et al. (1997) revised with new predicted a1 for cations", "CrO4-2": "Shock et al. (1997) revised with new predicted a1 for cations", "Cs+": "Shock & Helgeson (1988)", "Cu+": "Shock et al. (1997) revised with new predicted a1 for cations", "Cu+2": "Shock et al. (1997) revised with new predicted a1 for cations", "DIGLYCINE,AQ": "Jamie & Dimitri fit to exptl Cp(T) and pred. a1-a4; delGf and S from fitting logK dimerisation values from Lemke et al. (2009).", "DKP,AQ": "Jamie & Dimitri fit delGf and S from to logK dimerisation values from Lemke et al. (2009);  pred. a1-a4;", "Dy+3": "Shock et al. (1997) revised with new predicted a1 for cations", "Er+3": "Shock et al. (1997) revised with new predicted a1 for cations", "ETHANE,AQ": "Shock & Helgeson (1990) revised with new predicted a1 for complex species", "ETHANOL,AQ": "Plyasunov & Shock (2001)", "ETHYLENE,AQ": "Plyasunov & Shock (2001) for c1, c2 & omega; a1 predicted with new correlation for complex species from Sverjensky et al. (2014)", "Eu+2": "Shock et al. (1997) revised with new predicted a1 for cations", "Eu+3": "Shock et al. (1997) revised with new predicted a1 for cations", "F-": "Shock & Helgeson (1988)", "Fe(CH3COO)+": "Sverjensky et al. (1997) with revised volume increased in order that a1 of the complex is the sum of the a1 values of the ions", "Fe(CH3COO)2,aq": "Sverjensky et al. (1997) with revised volume increased in order that a1 of the complex is the sum of the a1 values of the ions", "Fe(HCOO)+": "Huang & Sverjensky (2019)", "Fe(HSiO3)+": "Huang & Sverjensky (2019)", "Fe(OH)+": "31/1/17 G, S, Cp from SSWS97 regression of Sweeton & Baes (1970); V from estimate to have similar behavior to MgO,aq", "Fe+2": "Shock et al. (1997) revised with new predicted a1 for cations", "Fe+3": "Shock et al. (1997) revised with new predicted a1 for cations", "FeCl+": "Sverjensky et al. (1997) with revised volume increased in order that a1 of the complex is the sum of the a1 values of the ions", "FeCl++": "29/11/16: Fit to Tagirov et al. (2000) with revised volume increased in order that a1 of the complex a bit greater than the sum of the a1 values of the ions", "FeCl2,aq": "Sverjensky et al. (1997) with revised volume increased in order that a1 of the complex is the sum of the a1 values of the ions", "FeCl2+": "29/11/16: Fit to Liu et al. (2006) with revised volume increased in order that a1 of the complex a bit greater than the sum of the a1 values of the ions", "FeCl3,aq": "29/11/16: Fit to Liu et al. (2006) with revised volume increased in order that a1 of the complex is equal to the sum of the a1 values of the ions", "FeCl4-": "29/11/16: Fit to Liu et al. (200vv6) with revised volume increased in order that a1 of the complex is equal to the sum of the a1 values of the ions", "FeO,aq": "31/1/17 G, S, Cp from SSWS97 regression of Sweeton & Baes (1970); V from estimate to have similar behavior to MgO,aq", "FORMATE,AQ": "Shock & Helgeson (1990) revised with new predicted a1 for ions", "FORMIC-ACID,AQ": "Shock & Helgeson (1990) revised with new predicted a1 for complex species", "Ga+3": "Shock et al. (1997) revised with new predicted a1 for cations", "Gd+3": "Shock et al. (1997) revised with new predicted a1 for cations", "GLUTAMATE": "Revised 1/22/15 based on V at 25 C from Ziemer & Woolley (2007) and predicted a1, a2, and a4; c1 and c2 from fits to delCpr protonation of Ziemer & Woolley (2007); S from fitting temperature dependence of logK from Ziemer & Woolley (2007); omega predicted from S using ion correlation.", "GLUTAMIC,AQ": "Revised 1/22/15 based on fitting Cp and V vs T data from Hakin et al. (1994) + revised correlation for a1 from Sverjensky et al. (2014); omega from delCPr above 100 \u00b0C (Ziemer & Woolley, 2007); G, H, and S from Amend & Helgeson (1997).", "GLUTAMINE,AQ": "Shock & Helgeson (1990) revised with new predicted a1 for complex species", "GLUTARATE-": "Shock & Helgeson (1990) revised with new predicted a1 for complex species", "GLUTARIC-ACID,AQ": "Shock & Helgeson (1990) revised with new predicted a1 for complex species", "Glycinate,aq": "AH97 for the G, H, S, Cp, V", "GLYCINE,AQ": "Plyasunov & Shock (2001)", "GLYCOLATE,AQ": "Shock & Helgeson (1990) revised with new predicted a1 for complex species", "GLYCOLIC-ACID,AQ": "Shock & Helgeson (1990) revised with new predicted a1 for complex species", "H-SUCCINATE,AQ": "Shock & Helgeson (1990) revised with new predicted a1 for complex species", "H+": "Perfectly known, by convention!", "H2,aq": "Shock et al. (1989)", "H2AsO3-": "Shock et al. (1997) revised with new predicted a1 for complex species", "H2AsO4-": "Shock et al. (1997) revised with new predicted a1 for complex species", "H2CO3,aq": "Huang & Sverjensky (2019)", "H2P2O7-2": "Shock et al. (1997) revised with new predicted a1 for complex species", "H2PO4-": "Shock et al. (1997) revised with new predicted a1 for complex species", "H2S,aq": "Shock et al. (1989) with revised prediction of a1 using new correlation", "H2VO4-": "Shock et al. (1997) revised with new predicted a1 for complex species", "H3P2O7-": "Shock et al. (1997) revised with new predicted a1 for complex species", "H3PO4,aq": "Shock et al. (1989) with revised prediction of a1 using new correlation", "HAlO2,aq": "Sverjensky et al. (2014)", "HAsO4-2": "Shock et al. (1997) revised with new predicted a1 for complex species", "HCl,aq": "Regression of Ruaya & Seward (1987) & Tagirov et al. (1997) with new full correlations", "HCN,aq": "Shock & McKibben (1993) for c1, c2 and omega with revised a1 from correlation for complex species ", "HCO3-": "Facq et al. (2014)", "HCrO4-": "Shock et al. (1997) revised with new predicted a1 for complex species", "He,aq": "Shock et al. (1989)", "HEXANE,AQ": "Plyasunov & Shock (2001) for c1, c2 & omega; a1 predicted with new correlation for complex species from Sverjensky et al. (2014)", "HFeO2-": "31/1/17 G, S, Cp from SSWS97 regression of Sweeton & Baes (1970); V from estimate to have similar behavior to MgO,aq", "Hg+2": "Shock et al. (1997) revised with new predicted a1 for cations", "Hg2+2": "Shock et al. (1997) revised with new predicted a1 for complex species", "Ho+3": "Shock et al. (1997) revised with new predicted a1 for cations", "HO2-": "Shock et al. (1997) revised with new predicted a1 for complex species", "HPO4-2": "Shock et al. (1997) revised with new predicted a1 for complex species", "HS-": "Shock et al. (1997) revised with new predicted a1 for complex species", "HSe-": "Shock et al. (1997) revised with new predicted a1 for complex species", "HSeO3-": "Shock et al. (1997) revised with new predicted a1 for complex species", "HSeO4-": "Shock et al. (1997) revised with new predicted a1 for complex species", "HSiO3-": "Huang & Sverjensky (2019)", "HSO3-": "Sverjensky et al. (1997) revised using published estimated V and pred. a1 from new correlation", "HSO4-": "Shock et al. (1997) revised with new predicted a1 for complex species", "HSO5-": "Shock et al. (1997) revised with new predicted a1 for complex species", "HVO4-2": "Shock et al. (1997) revised with new predicted a1 for complex species", "I-": "Shock & Helgeson (1988)", "In+3": "Shock et al. (1997) revised with new predicted a1 for cations", "Isobutane,aq": "G, H, S, Cp, V from Shock & Helgeson (1990); a1 estimated with Sverjensky et al. (2014; c2 estimated with a new hydrocarbon correlation.", "K+": "Shock & Helgeson (1988)", "KCl,aq": "May, 2017 Fitted to logKs from Oelkers & Helgeson (1988) + retrieved logKs from Hemley experiments at 1.0 kb using the HCl referred to above", "KOH,aq": "Fitted to Ho & Palmer (1997) data with a1 pred. from the sum of the ions and used to predict the volume", "Kr,aq": "Shock et al. (1989)", "KSO4-": "Revised G, S and Cp to fit Noyes et al. (1906) & Sharygin et al. (2006) with a1 of the complex equal to the sum of the a1 values of the ions", "La+3": "Shock et al. (1997) revised with new predicted a1 for cations", "LACTATE,AQ": "Shock & Helgeson (1990) revised with new predicted a1 for ions", "LACTIC-ACID,AQ": "Shock & Helgeson (1990) revised with new predicted a1 for complex species", "LEUCINE,AQ": "Shock & Helgeson (1990) revised with new predicted a1 for complex species", "Li+": "Shock & Helgeson (1988)", "Lu+3": "Shock et al. (1997) revised with new predicted a1 for ions", "METHANE,AQ": "Plyasunov & Shock (2001) for c1, c2 & omega; a1 predicted with new correlation for complex species from Sverjensky et al. (2014)", "METHANOL,AQ": "Plyasunov & Shock (2001)", "Mg(HCO3)+": "Fit to St\u00e9fansson et al. (2014) & Siebert & Hostetler (1977); plus revised V increased so that a1 of the complex is the sum of the a1 values of the ions", "Mg(HSiO3)+": "Sverjensky et al. (1997) with new a1 from the sum of the ions and V predicted from a1 value", "Mg+2": "Shock & Helgeson (1988)", "MgCl+": "Sverjensky et al. (1997) revised V increased so that a1 of the complex is the sum of the a1 values of the ions", "MgCO3,aq": "Sverjensky et al. (1997) revised volume increased in order that a1 of the complex is the sum of the a1 values of the ions; and Cp revised using isocoulombic reln with CaCO3,aq; also omega is set to +0.3 as for all neutral metal complexes.", "MgO,aq": "Huang & Sverjensky (2019)", "MgOH+": "Revised by Dimitri, January, 2019; with minimum volume needed", "Mg(SiO2)(HCO3)+": "Huang & Sverjensky (2019)", "MgSO4,aq": "S, Cp, V, omega from fit to Akilan et al. (2006a) and Frantz et al. (1994)", "Mn+2": "Shock et al. (1997) revised with new predicted a1 for cations", "MnCl+": "Sverjensky et al. (1997) with revised a1 equal to the sum of the ions used to predict new values of V using new correlation in Sverjensky et al. (2014)", "MnO4-": "Shock et al. (1997) revised with new predicted a1 for ions", "MnO4-2": "Shock et al. (1997) revised with new predicted a1 for ions", "MnSO4,aq": "Sverjensky et al. (1997) with revised a1 equal to the sum of the ions used to predict new values of V using new correlation in Sverjensky et al. (2014)", "MoO4-2": "Shock et al. (1997) revised with new predicted a1 for ions", "N2,aq": "Shock et al. (1989) + new a1 predicted for complex species", "Na(Ac),aq": "G, H, S, Cp, V from Shock & Koretsky (1993); a1 estimated with Sverjensky et al. (2014)", "Na(Ac)2-": "G, H, S, Cp, V from Shock & Koretsky (1993); a1 estimated with Sverjensky et al. (2014)", "Na+": "Shock & Helgeson (1988)", "NaCl,aq": "Sverjensky et al. (1997) with new predicted a1 value", "NaCO3-": "Fit to Stefansson et al. (2013; 80 to 200 C) & Garrels et al., (1961; at 25 C) to get G, S and Cp;  with a1 pred. from the sum of the ions and used to predict the volume", "NaHCO3,aq": "Huang & Sverjensky (2019)", "NaHSiO3,aq": "Sverjensky et al. (1997) with revised a1 equal to the sum of the ions used to predict new values of V using new correlation in Sverjensky et al. (2014)", "NaOH,aq": "Fitted to Ho & Palmer (1997) data with a1 pred. from the sum of the ions and used to predict the volume", "Nd+3": "Shock et al. (1997) revised with new predicted a1 for cations", "Ne,aq": "Shock et al. (1989)", "NH3,aq": "Shock et al. (1989) + new a1", "NH4+": "Shock & Helgeson (1988) + new a1", "Ni+2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "NO2-": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "NO3-": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "O2,aq": "Shock et al. (1989)", "OH-": "August 16th, 2013 fit to Bandura & Lvov (2005)", "Pb+2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "PbCl+": "Sverjensky et al. (1997) with revised a1 equal to the sum of the ions used to predict new values of V using new correlation in Sverjensky et al. (2014)", "PbCl2,aq": "Sverjensky et al. (1997) with revised a1 equal to the sum of the ions used to predict new values of V using new correlation in Sverjensky et al. (2014)", "PbCl3-": "Sverjensky et al. (1997) with revised a1 equal to the sum of the ions used to predict new values of V using new correlation in Sverjensky et al. (2014)", "Pd+2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "PO4-3": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Pr+3": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "PROPANE,AQ": "Shock & Helgeson (1990) with new a1-a4 based on revised correlation to predict a1 in Sverjensky et al. (2013)", "PROPANOATE,AQ": "Revised a1 from new delVn correlation for -1 ions; kept original regression c1 and c2 plus omega from Shock & Helgeson (1990)", "PROPANOIC-ACID,AQ": "Plyasunov & Shock (2001)", "PROPANOL,AQ": "Plyasunov & Shock (2001)", "Ra+2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Rb+": "Shock & Helgeson (1988)", "ReO4-": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Rn,aq": "Shock et al. (1989)", "S2-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "S2O3-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "S2O4-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "S2O5-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "S2O6-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "S2O8-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "S3-": "Regression of data from Pokrovski & Dubessy (2015, Guggenheim (1971); Feb. 2015", "S3-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "S3O6-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "S4-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "S4O6-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "S5-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "S5O6-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Sc+3": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "SeO3-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "SeO4-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Si2O4,aq": "Fit to Raman speciation and quartz solubility data (Sverjensky et al., 2014).", "Si3O6,aq": "Huang & Sverjensky (2019)", "SiO2,aq": "Fit to Raman speciation and quartz solubility data (Sverjensky et al., 2014).", "Sm+2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Sm+3": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Sn+2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "SO2,aq": "Shock et al. (1989) with revised a1 predicted as a complex from delVn", "SO3-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "SO4-2": "Shock & Helgeson (1988)", "Sr+2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "SrCl+": "Sverjensky et al. (1997) with revised a1 equal to the sum of the ions used to predict new values of V using new correlation in Sverjensky et al. (2014)", "Tb+3": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Tl+": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Tl+3": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Tm+3": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "TOLUENE,AQ": "Plyasunov & Shock (2001) with new a1 to a4 predicted with revised a1 consistent with Sverjensky et al. (2013)", "U+4": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "UO2+2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "UREA,AQ": "Revised Feb. 2015 by Dimitri: c1, c2, and omega from PS01 based on Stokes (1967) data; V from Cabani et al. (1981) with a1-a4 predicted.", "VO+2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "VO2+": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "WO4-2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Xe,aq": "Shock et al. (1989)", "Y+3": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Yb+2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Yb+3": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "Zn+2": "Shock & Helgeson (1988) revised with new predicted a1 for ions", "ZnCl+": "Sverjensky et al. (1997) with revised a1 equal to the sum of the ions used to predict new values of V using new correlation in Sverjensky et al. (2014)", "ZnCl2,aq": "Sverjensky et al. (1997) with revised a1 equal to the sum of the ions used to predict new values of V using new correlation in Sverjensky et al. (2014)", "ZnCl3-": "Sverjensky et al. (1997) with revised a1 equal to the sum of the ions used to predict new values of V using new correlation in Sverjensky et al. (2014)"}]
