Updated on May 19, 2017
MAY, 2017
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0) SCHEDULE
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1) Sunday Morning, May 7th
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Sunday Afternoon, May 7th
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2) Monday Morning, May 8th
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Monday Afternoon, May 8th
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3) Tuesday Morning, May 9th
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Tuesday Afternoon, May 9th
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SUMMER, 2016
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1) INTRODUCTION: GEOCHEMICAL MODELING OF WATER-ROCK INTERACTIONS
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2) SESSION 1: DISPLAYING THE EVOLUTION OF REACTIVE WATER CHEMISTRY - an introduction to activity diagrams
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3) SESSION 2: AQUEOUS SPECIATION & SOLUBILITY MODELS
- an introduction to using EQ3 |
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4) SESSION 3: MODELING OF IRREVERSIBLE CHEMICAL REACTIONS - an introduction to using EQ6
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PACKAGES & PROGRAMS
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1) DEEP EARTH WATER MODEL (EXCEL)
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2) SUPCRT
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I. For Mac (Helgeson et al., 1978 minerals)
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II. For Mac (Berman, 1988 & Sverjensky et al., 1991 minerals)
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III. For PC (with Holland and Powell minerals)
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3) AQUEOUS SPECIATION, SOLUBILITY, AND CHEMICAL MASS TRANSFER CODES
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I. Psat & 0-300 ºC
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II. 300 - 650 ºC
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III. 650 - 999 ºC
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READING MATERIALS
1) DEEP EARTH WATER MODEL
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I. Pan, D., Spanu, L., Harrison, B., Sverjensky, D. A., & Galli, G. (2013). Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth. Proceedings of the National Academy of Sciences, 110(17), 6646-6650.
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II. Sverjensky, D. A., Harrison, B., & Azzolini, D. (2014). Water in the deep Earth: The dielectric constant and the solubilities of quartz and corundum to 60kb and 1200 C. Geochimica et Cosmochimica Acta, 129, 125-145.
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III. Facq, S., Daniel, I., Montagnac, G., Cardon, H., & Sverjensky, D. A. (2014). In situ Raman study and thermodynamic model of aqueous carbonate speciation in equilibrium with aragonite under subduction zone conditions. Geochimica et Cosmochimica Acta, 132, 375-390.
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IV. Facq, S., Daniel, I., Montagnac, G., Cardon, H., & Sverjensky, D. A. (2016). Carbon speciation in saline solutions in equilibrium with aragonite at high pressure. Chemical Geology, 431, 44-53.
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2) HELGESON, KIRKHAM, & FLOWERS FOUNDATION (FOUR-PART THEORY)
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I. Helgeson, H. C., & Kirkham, D. H. (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. American Journal of Science, 274(10), 1089-1198.
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II. Helgeson, H. C., & Kirkham, D. H. (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. American Journal of Science, 274(10), 1199-1261.
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III. Helgeson, H. C., & Kirkham, D. H. (1976). Theoretical prediction of thermodynamic properties of aqueous electrolytes at high pressures and temperatures; III. Equation of state for aqueous species at infinite dilution. American Journal of Science, 276(2), 97-240.
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IV. Helgeson, H. C., Kirkham, D. H., & Flowers, G. C. (1981). Theoretical prediction of the thermodynamic behavior of aqueous electrolytes by high pressures and temperatures; IV, Calculation of activity coefficients, osmotic coefficients, and apparent molal and standard and relative partial molal properties to 600 degrees C and 5kb. American journal of science, 281(10), 1249-1516.
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3) SUPCRT
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I. Helgeson, H. C., Delaney, J. M., Nesbitt, H. W. & Bird, D. K. (1978) Summary and critique of the thermodynamic properties of rock-forming minerals. American Journal of Science 278A, 229.
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II. Johnson, J. W., Oelkers, E. H., & 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. Computers & Geosciences, 18(7), 899-947.
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III. Shock, E. L., & Helgeson, H. C. (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. Geochimica et Cosmochimica Acta, 52(8), 2009-2036.
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IV. Shock, E. L., Helgeson, H. C., & 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. Geochimica et Cosmochimica Acta, 53(9), 2157-2183.
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V. Shock, E. L., & 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.Geochimica et Cosmochimica Acta, 54(4), 915-945.
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VI. Sverjensky, D. A., Shock, E. L., & Helgeson, H. C. (1997). Prediction of the thermodynamic properties of aqueous metal complexes to 1000 C and 5 kb.Geochimica et Cosmochimica Acta, 61(7), 1359-1412.
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VII. Shock, E. L., Sassani, D. C., Willis, M., & Sverjensky, D. A. (1997). Inorganic species in geologic fluids: correlations among standard molal thermodynamic properties of aqueous ions and hydroxide complexes. Geochimica et Cosmochimica Acta, 61(5), 907-950.
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4) AQUEOUS SPECIATION, SOLUBILITY, AND CHEMICAL MASS TRANSFER CALCULATIONS
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I. Helgeson, H. C. (1970). A chemical and thermodynamic model of ore deposition in hydrothermal systems, Mineralogical Society of America Special Paper, Fiftieth Anniv. Symp., Vol. 3, 155-186.
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II. Helgeson, H. C. (1979). Mass transfer among minerals and hydrothermal solutions.
Geochemistry of hydrothermal ore deposits, 2, 568-610. |
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5) ACTIVITY DIAGRAMS
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I. Garrels, R. M., & Christ, C. L. (1965). Solutions, minerals, and equilibria.
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II. Bowers, T. S., Jackson, K. J., & Helgeson, H. C. (1984). Equilibrium activity diagrams: for coexisting minerals and aqueous solutions at pressures and temperatures to 5 kb and 600 C. Springer Science & Business Media.
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6) THEORY AND INSTRUCTION BACKGROUND FOR EQ3, EQ6, and EQPT
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I. The EQ3/6 Package Overview and Installation Guide (Wolery, 1992a).
II. The EQPT User’s Guide (Daveler and Wolery, 1992); III. The EQ3NR Theoretical Manual and User’s Guide (Wolery, 1992b); IV. The EQ6 Theoretical Manual and User’s Guide (Wolery and Daveler, 1992). |
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