4.7 Article

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

Journal

COMPUTERS & GEOSCIENCES
Volume 51, Issue -, Pages 415-417

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.cageo.2012.08.004

Keywords

Program; Geochemical database; SUPCRT92

Funding

  1. US Department of Energy (DOE) [DE-EE0002764]
  2. George and Orpha Gibson endowment for the Hydrogeology and Geofluids research group in the Department of Earth Sciences at the University of Minnesota

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SUPCRT92 is a widely used software package for calculating the standard thermodynamic properties of minerals, gases, aqueous species, and reactions. However, it is labor-intensive and error-prone to use it directly to produce databases for geochemical modeling programs such as EQ3/6, the Geochemist's Workbench, and TOUGHREACT. DBCreate is a SUPCRT92-based software program written in FORTRAN90/95 and was developed in order to produce the required databases for these programs in a rapid and convenient way. This paper describes the overall structure of the program and provides detailed usage instructions. (c) 2012 Elsevier Ltd. All rights reserved.

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