DBCreate: A SUPCRT92-based program for producing EQ3/6, TOUGHREACT, and GWB thermodynamic databases at user-defined T and P

Computers and Geosciences

Volumn 51, Issue , 2013, Pages 415-417

  Kong, Xiang Zhao ^a   Tutolo, Benjamin M ^a   Saar, Martin O ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

Geochemical database; Program; SUPCRT92

Indexed keywords

AQUEOUS SPECIES; ERROR PRONES; GEOCHEMICAL DATABASE; GEOCHEMICAL MODELING; PROGRAM; SOFTWARE PROGRAM; SUPCRT92; THERMODYNAMIC DATABASE; TOUGHREACT;

GEOLOGY; INFORMATION SYSTEMS;

DATABASE SYSTEMS;

COMPUTER SIMULATION; DATABASE; SOFTWARE; THERMODYNAMIC PROPERTY;

EID: 84870837697     PISSN: 00983004     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cageo.2012.08.004     Document Type: Article

References (9)

1. Bethke C.M. The Geochemist Workbench Release 6.0 Reaction Modeling Guide. A User Guide to React and Gtplot 2006, University of Illinois.
2. Helgeson H.C. Thermodynamics of hydrothermal systems at elevated temperatures and pressures. American Journal of Science 1969, 267(7):729-804.
3. Helgeson H.C. Summary and critique of the thermodynamic properties of rock-forming minerals. American Journal of Science 1978, 278A:1-229.
4. Johnson J.W., Oelkers E.H., Helgeson H.C. SUPCRT92: a software package for calculating the standard molal thermodynamic properties of minerals, gases cc aqueous species, and reactions from 1 to 5000bar and 0 to 1000°C. Computers & Geosciences 1992, 18(7):899-947.
5. Robie R.A., Waldbaum D.R. Thermodynamic Properties of Minerals and Related Substances at 298.15K (25.00°C) and One Atmosphere (1.013bars) Pressure and at Higher Temperatures 1968, US Government Printing Office.
6. Robie, R.A., Hemingway, B.S., Fisher, J.R., 1979. Thermodynamic properties of minerals and related substances at 298.15K and 1bar (105Pascals) pressure and at higher temperatures. United States Geological Survey Bulletin 1452, 456.
7. Tutolo, B.M., Kong, X.-Z., Seyfried, W.E., Saar, M.O. Evaluation of aluminum mineral thermodynamic data for geochemical modeling. Geochimica et Cosmochimica Acta, in preparation.
8. Wolery, T.J., 1992. Lawrence Livermore National Laboratory, United States Dept. of Energy. EQ3/6: A Software Package for Geochemical Modeling of Aqueous Systems: Package Overview and Installation Guide (Version 7.0). Lawrence Livermore National Laboratory.
9. 2 geological sequestration. Computers & Geosciences 2006, 32(2):145-165.