%0 Journal Article %1 oelkers1995sas %A Oelkers, E. H. %A Helgeson, H. C. %A Shock, E. L. %A Sverjensky, D. A. %A Johnson, J. W. %A Pokrovskii, V. A. %D 1995 %J Journal of Physical and Chemical Reference Data %K ACTIVITY-COEFFICIENTS; ALUMINUM BOEHMITE DISSOCIATION-CONSTANTS; ELECTROLYTE-SOLUTIONS; HYDROTHERMAL PREDICTION; PROPERTIES; RELATIVE SOLUBILITY; SOLUTIONS; SPECIATION STABILITIES; SUPERCRITICAL THEORETICAL THERMODYNAMIC TRANSPORT-PROPERTIES; %N 4 %P 1401--1560 %T SUMMARY OF THE APPARENT STANDARD PARTIAL MOLAL GIBBS FREE-ENERGIES OF FORMATION OF AQUEOUS SPECIES, MINERALS, AND GASES AT PRESSURES 1 TO 5000 BARS AND TEMPERATURES 25 TO 1000-DEGREES-C %V 24 %X Accurate values of the apparent standard partial molal Gibbs free energies of formation (Delta (G) over bar degrees) of aqueous species, minerals, and gases at high temperatures and pressures are a requisite for characterizing a variety of industrial and natural processes including corrosion of metals, solvent extraction, crystal growth, metamorphism, and the formation of hydrothermal ore deposits. Revision of the HKF equations of state for aqueous species other than H2O (Helgeson, Kirkham and Flowers, 1981) by Tanger and Helgeson (1988) and Shock et al. (1992) permits calculation of Delta (G) over bar degrees for these species at temperatures to 1000 degrees C and pressures to 5000 bars. The revised equations of state were combined with parameters generated by Shock and Helgeson (1988, 1990), Shock et al. (1989), Sassani and Shock (1990), Shock and McKinnon (1993), Shock and Koretsky (1993), Schulte and Shock (1993), Pokrovskii and Helgeson (1995 a, b, and c), and Sverjensky et al. (1995) together with densities and electrostatic properties of H2O computed from equations summarized by Johnson and Norton (1991) to calculate values of Delta G degrees for aqueous species as a function of temperature and pressure. The results of these calculations are tabulated for 348 such species,including both inorganic and organic aqueous ions, neutral species, and metal ligand complexes. Similar calculations using equations, parameters, and thermodynamic data taken from Kelley (1960), Helgeson er al. (1978), Wagman et al. (1982), Hill (1990), Shock (1993), and Pokrovskii and Helgeson (1995 a and b) were used to generate tables of Delta (G) over bar degrees for H2O, 22 minerals, and 18 gases. The tabulated values of Delta (G) over bar degrees which were generated with the aid of SUPCRT92 (Johnson et al., 1999), facilitate considerably assessment of the thermodynamic behavior of chemical processes at both high and low temperatures and pressures. (C) 1995 American Institute of Physics and American Chemical Society.

@article{oelkers1995sas, abstract = {Accurate values of the apparent standard partial molal Gibbs free energies of formation (Delta (G) over bar degrees) of aqueous species, minerals, and gases at high temperatures and pressures are a requisite for characterizing a variety of industrial and natural processes including corrosion of metals, solvent extraction, crystal growth, metamorphism, and the formation of hydrothermal ore deposits. Revision of the HKF equations of state for aqueous species other than H2O (Helgeson, Kirkham and Flowers, 1981) by Tanger and Helgeson (1988) and Shock et al. (1992) permits calculation of Delta (G) over bar degrees for these species at temperatures to 1000 degrees C and pressures to 5000 bars. The revised equations of state were combined with parameters generated by Shock and Helgeson (1988, 1990), Shock et al. (1989), Sassani and Shock (1990), Shock and McKinnon (1993), Shock and Koretsky (1993), Schulte and Shock (1993), Pokrovskii and Helgeson (1995 a, b, and c), and Sverjensky et al. (1995) together with densities and electrostatic properties of H2O computed from equations summarized by Johnson and Norton (1991) to calculate values of Delta G degrees for aqueous species as a function of temperature and pressure. The results of these calculations are tabulated for 348 such species,including both inorganic and organic aqueous ions, neutral species, and metal ligand complexes. Similar calculations using equations, parameters, and thermodynamic data taken from Kelley (1960), Helgeson er al. (1978), Wagman et al. (1982), Hill (1990), Shock (1993), and Pokrovskii and Helgeson (1995 a and b) were used to generate tables of Delta (G) over bar degrees for H2O, 22 minerals, and 18 gases. The tabulated values of Delta (G) over bar degrees which were generated with the aid of SUPCRT92 (Johnson et al., 1999), facilitate considerably assessment of the thermodynamic behavior of chemical processes at both high and low temperatures and pressures. (C) 1995 American Institute of Physics and American Chemical Society.}, added-at = {2009-11-03T20:21:25.000+0100}, author = {Oelkers, E. H. and Helgeson, H. C. and Shock, E. L. and Sverjensky, D. A. and Johnson, J. W. and Pokrovskii, V. A.}, biburl = {https://www.bibsonomy.org/bibtex/291ec50e2fa685fec650aad29a6c95a65/svance}, citedreferences = {ANDERSON GM, 1965, AM J SCI, V263, P494 ; APPS JA, 1989, US NRC NUREGCR5271LB ; BARANY R, 1961, 5825 US BUR MIN REP ; BENSON BB, 1976, J CHEM PHYS, V64, P655 ; BENSON SW, 1968, THERMOChemical KINET, P223 ; BOURCIER WL, 1993, GEOCHIM COSMOCHIM AC, V57, P747 ; CASTET S, 1993, GEOCHIM COSMOCHIM AC, V57, P4869 ; CLAUSSEN WF, 1952, J AM CHEM SOC, V74, P4817 ; CROVETTO R, 1982, J CHEM PHYS, V76, P1077 ; DEVIDAL JL, 1994, THESIS U P SABATIER ; DRUMMONG SE, 1981, THESIS PENNSYLVANIA, P400 ; ELLIS AJ, 1963, AM J SCI, V261, P47 ; FORTIER JL, 1974, J SOLUTION CHEM, V3, P323 ; FRANTZ JD, 1984, AM J SCI, V282, P1666 ; HAAR L, 1984, NBS NRC STEAM TABLES, P320 ; HARNED HS, 1943, J AM CHEM SOC, V65, P2030 ; HEINRICH CA, 1990, GEOCHIM COSMOCHIM AC, V54, P2207 ; HELGESON HC, 1974, AM J SCI, V274, P1089 ; HELGESON HC, 1974, AM J SCI, V274, P1199 ; HELGESON HC, 1976, AM J SCI, V276, P97 ; HELGESON HC, 1978, AM J SCI A, V278, P1 ; HELGESON HC, 1981, AM J SCI, V281, P1249 ; HELGESON HC, 1982, AM J SCI, V282, P1143 ; HELGESON HC, 1985, AM J SCI, V285, P845 ; HELGESON HC, 1988, REND SOC ITAL MINERA, V43, P1159 ; HELGESON HC, 1988, SUPERCRITICAL FLUIDS, V1, P279 ; HELGESON HC, 1992, APPL GEOCHEM, V7, P291 ; HELGESON HC, 1992, GEOCHIM COSMOCHIM AC, V56, P3191 ; HEMLEY JJ, 1980, ECON GEOL, V75, P210 ; HILL PG, 1990, J PHYS CHEM REF DATA, V19, P1233 ; HWANG WL, 1993, CHEM GEOL, V105, P197 ; IKKATAI T, 1962, EXTRACTIVE METALLURG, P159 ; JACKSON KJ, 1985, ECON GEOL, V80, P1365 ; JOHNSON JW, 1991, AM J SCI, V291, P541 ; JOHNSON JW, 1992, COMPUT GEOSCI, V18, P889 ; JONTE JH, 1952, J AM CHEM SOC, V74, P2052 ; KELLEY KK, 1960, US BUR MIN B, V548, P232 ; KENNEDY GC, 1950, ECON GEOL, V45, P629 ; KITTRICK JA, 1966, AM MINERAL, V52, P1457 ; KLOTS CE, 1963, J MAR RES, V21, P48 ; KUYUNKO NS, 1983, GEOCHEM INT, V20, P76 ; LEI YW, 1993, J CHEM PHYS, V99, P5369 ; MAY HM, 1986, GEOCHIM COSMOCHIM AC, V50, P1667 ; MILLERO FJ, 1972, WATER AQUEOUS SOLUTI, P519 ; MIRONOV VE, 1962, RADIOKHIMIYA, V4, P707 ; MOREY GW, 1962, GEOCHIM COSMOCHIM AC, V26, P1029 ; MORRISON TJ, 1952, J CHEM SOC, P3819 ; MORRISON TJ, 1954, J CHEM SOC, P3819 ; NAGY KL, 1991, AM J SCI, V291, P649 ; OELKERS EH, 1988, J PHYS CHEM-US, V92, P1631 ; OELKERS EH, 1990, GEOCHIM COSMOCHIM AC, V54, P727 ; OELKERS EH, 1991, GEOCHIM COSMOCHIM AC, V55, P1235 ; OELKERS EH, 1993, GEOCHIM COSMOCHIM AC, V57, P2673 ; OELKERS EH, 1993, Science, V261, P888 ; PALMER DA, 1988, J PHYS CHEM-US, V92, P6795 ; POKROVSKII VA, 1995, UNPUB AM J SCI ; POKROVSKII VA, 1995, UNPUB CHEM G ; EOL POKROVSKII VA, 1995, UNPUB GEOCHIM COSMOC ; POTTER RW, 1978, J SOLUTION CHEM, V7, P837 ; PRICE LC, 1979, AAPG BULL, V63, P1527 ; QUIST AS, 1968, J PHYS CHEM-US, V72, P648 ; RUSSELL AS, 1955, J MET, V203, P1123 ; SASSANI DC, 1990, Geology, V18, P925 ; SASSANI DC, 1992, GEOCHIM COSMOCHIM AC, V56, P3895 ; SCHULTE MD, 1993, GEOCHIM COSMOCHIM AC, V557, P3835 ; SEWARD TM, 1976, GEOCHIM COSMOCHIM AC, V40, P1329 ; SEWARD TM, 1984, GEOCHIM COSMOCHIM AC, V48, P121 ; SHOCK EL, 1988, GEOCHIMICA COSMOCHIM, V52, P2009 ; SHOCK EL, 1989, GEOCHIM COSMOCHIM AC, V53, P215 ; SHOCK EL, 1989, GEOCHIM COSMOCHIM AC, V53, P2157 ; SHOCK EL, 1990, GEOCHIM COSMOCHIM AC, V54, P915 ; SHOCK EL, 1992, GEOCHIM COSMOCHIM AC, V56, P3481 ; SHOCK EL, 1992, J CHEM SOC FARADAY T, V88, P803 ; SHOCK EL, 1993, GEOCHIM COSMOCHIM AC, V57, P3341 ; SHOCK EL, 1993, GEOCHIM COSMOCHIM AC, V57, P4899 ; SHOCK EL, 1993, Icarus, V106, P464 ; SHOCK EL, 1995, AM J SCI, V295, P496 ; SVERJENSKY DA, 1987, REV MINERAL, V17, P177 ; SVERJENSKY DA, 1995, UNPUB PREDICTION THE ; TANGER JC, 1988, AM J SCI, V288, P19 ; VERDES G, THESIS U PAULSABATIE ; VERDES G, 1992, EUR J MINERAL, V4, P767 ; WAGMAN DD, 1982, J PHYS CHEM REF D S2, V11, P392 ; WEILL DF, 1964, GEOCHIM COSMOCHIM AC, V28, P1243 ; WESOLOWSKI DJ, 1992, GEOCHIM COSMOCHIM AC, V56, P1065 ; WIEBE R, 1935, J AM CHEM SOC, V56, P76 ; YATSIMIRSKII KB, 1956, ZH NEORG KHIM, V1, P2310 ; ZAWISZA A, 1981, J CHEM ENG DATA, V26, P388}, date-modified = {2008-06-08 00:07:01 -0700}, interhash = {baff5707b84a342d988d289afe1fbb3d}, intrahash = {91ec50e2fa685fec650aad29a6c95a65}, journal = {Journal of Physical and Chemical Reference Data}, keywords = {ACTIVITY-COEFFICIENTS; ALUMINUM BOEHMITE DISSOCIATION-CONSTANTS; ELECTROLYTE-SOLUTIONS; HYDROTHERMAL PREDICTION; PROPERTIES; RELATIVE SOLUBILITY; SOLUTIONS; SPECIATION STABILITIES; SUPERCRITICAL THEORETICAL THERMODYNAMIC TRANSPORT-PROPERTIES;}, number = 4, owner = {svance}, pages = {1401--1560}, timestamp = {2009-11-03T20:22:08.000+0100}, title = {SUMMARY OF THE APPARENT STANDARD PARTIAL MOLAL GIBBS FREE-ENERGIES OF FORMATION OF AQUEOUS SPECIES, MINERALS, AND GASES AT PRESSURES 1 TO 5000 BARS AND TEMPERATURES 25 TO 1000-DEGREES-C}, volume = 24, year = 1995 }