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

Computers & Geosciences - Tập 18 Số 7 - Trang 899-947 - 1992
James W. Johnson1, Eric H. Oelkers2, Harold C. Helgeson2
1Earth Sciences Department, L-219, Lawrence Livermore National Laboratory, Livermore, CA 94550, USA
2Department of Geology and Geophysics, University of California, Berkeley, CA 94720, U.S.A.

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Benson, 1968, Thermochemical kinetics, 223 p

Bowers, 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. Cosmochim. Acta, v. 47, 1247, 10.1016/0016-7037(83)90066-2

Haar, 1984, NBS/NRC steam tables, 320 p

Heger, 1969, Die statische dielektrizitatskonstante von wasser und methylalkohol im uberkritischen temperatur und druckbereich, 59 p

Heger, 1980, The static dielectric constant of water at high pressures and temperatures to 500 MPa and 550°C, Berichte der Bunsen Gesellschaft fur Physikalische Chemie, v. 84, 758, 10.1002/bbpc.19800840814

Helgeson, 1985, Errata II. Thermodynamics of minerals, reactions, and aqueous solutions at high pressures and temperatures, Am. Jour. Science, v. 285, 845, 10.2475/ajs.285.9.845

Helgeson, 1978, Summary and critique of the thermodynamic properties of rock-forming minerals, Am. Jour. Science, v. 278-A, 229 p

Helgeson, 1974, Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures. I. Summary of the thermodynamic/electrostatic properties of the solvent, Am. Jour. Science, v. 274, 1089, 10.2475/ajs.274.10.1089

Helgeson, 1974, Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures: II. Debye-Huckel parameters for activity coefficients and relative partial molal properties, Am. Jour. Science, v. 274, 1199, 10.2475/ajs.274.10.1199

Helgeson, 1976, Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures. III. Equation of state for aqueous species at infinite dilution, Am. Jour. Science, v. 276, 97, 10.2475/ajs.276.2.97

Helgeson, 1981, Am. Jour. Science, v. 281, 1249, 10.2475/ajs.281.10.1249

Jackson, 1985, Chemical and thermodynamic constraints on the hydrothermal transport and deposition of tin: II. Interpretation of phase relations in the Southeast Asian tin belt, Economic Geology, v. 80, 1365, 10.2113/gsecongeo.80.5.1365

Johnson, 1991, Critical phenomena in hydrothermal systems: state, thermodynamic, electrostatic, and transport properties of H2O in the critical region, Am. Jour. Science, v. 291, 541, 10.2475/ajs.291.6.541

Keenan, 1969, Steam tables, 162 p

Kelley, 1960, Contributions to the data in theoretical metallurgy XIII: high temperature heat content, heat capacities and entropy data for the elements and inorganic compounds, U.S. Bureau of Mines Bull., 584, 232 p

Kirkwood, 1939, The dielectric polarization of polar liquids, Jour. Chemical Physics, v. 7, 911, 10.1063/1.1750343

Levelt Sengers, 1983, Thermodynamic properties of steam in the critical region, Jour. Physical and Chemical Reference Data, v. 12, 1, 10.1063/1.555676

Maier, 1932, An equation for the representation of high temperature heat content data, Am. Chemical Soc. Jour., v. 54, 3243, 10.1021/ja01347a029

Miller, 1984, The engineering of numerical software, 167 p

Oelkers, 1988, Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures, v. 92, 1631

Oshry, 1949, The dielectric constant of saturated water from the boiling point to the critical point, 13 p

Owen, 1961, The dielectric constant of water as a function of temperature and pressure, Jour. Physical Chemistry, v. 65, 2065, 10.1021/j100828a035

Pankratz, 1970, Thermodynamic data for silver chloride and silver bromide, U.S. Bureau of Mines Rep. of Invest., 7430, 12 p

Pankratz, 1970, High-temperature enthalpies and entropies of chalcopyrite and bornite, U.S. Bureau of Mines Rept. of Invest., 7435, 10 p

Pitzer, 1983, Dielectric constant of water at very high temperature and pressure, v. 80, 4575

Robie, 1979, 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., 1452, 456 p

Shock, 1988, Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: correlation algorithms for ionic species and equation of state predictions to 5 kb and 1000°C, Geochim. Cosmochim. Acta, v. 52, 2009, 10.1016/0016-7037(88)90181-0

Shock, 1990, Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: standard partial molal properties of organic species, Geochim. Cosmochim. Acta, v. 54, 915, 10.1016/0016-7037(90)90429-O

Shock, 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, v. 53, 2157, 10.1016/0016-7037(89)90341-4

Shock, 1992, Calculation of the thermodynamic properties of aqueous species at high pressures and temperatures: effective electrostatic radii, dissociation constants, and standard partial molal properties to 1000°C and 5 kb, Jour. Chemical Society (London) Faraday Transactions, v. 88, 803, 10.1039/FT9928800803

Sverjensky, 1993, Prediction of the thermodynamic properties of inorganic aqueous metal complexes to 1000°C and 5 kb, Geochim. Cosmochim. Acta, v. 57

Tanger, 1988, Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: revised equations of state for the standard partial molal properties of ions and electrolytes, Am. Jour. Science, v. 288, 19, 10.2475/ajs.288.1.19

Uematsu, 1980, Static dielectric constant of water and steam, Jour. Physical and Chemical Reference Data, v. 9, 1291, 10.1063/1.555632

Wagman, 1982, The NBS tables of chemical and thermodynamic properties, Jour. Physical and Chemical Reference Data, v. 11, 392 p

Wolery, 1979, Calculation of equilibrium between aqueous solution and minerals: the EQ3/6 software package, 41

Wolery, 1983, EQ3NR, a computer program for geochemical aqueous speciation-solubility calculations: user's guide and documentation, Lawrence Livermore National Laboratory, UCRL-53414, 191

Wolery, 1990, Current status of the EQ3/6 software package for geochemical modeling, 104