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A science gateway built to provide access to advanced geochemical modeling resources for science & engineering researchers, educators, and students.

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Computational Services:

> IU Supercomputers

> Cloud Computing

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Thermodynamic Database:

> Internal Consistency

> Comprehensiveness

> Traceability

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Advanced Software Applications

> Geochemical Modeling Tools

> Numerical Simulation

> User-Friendly Interface

Geochemical Modeling Softwares

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ToughReact

A numerical simulation program for chemically reactive non-isothermal flows of multiphase fluids in porous and fractured media, developed by introducing reactive chemistry into the multiphase flow code TOUGH2.

TOUGHREACT is applicable to a variety of reactive fluid and geochemical transport problems, including (a) contaminant transport with linear Kd adsorption and radioactive decay, (b) natural groundwater chemistry evolution under ambient conditions, (c) assessment of nuclear waste disposal sites, (d) sedimentary diagenesis, and CO2 disposal in deep formations, (e) mineral deposition such as supergene copper enrichment, and (f) mineral alteration and silica scaling in hydrothermal systems under natural and production conditions.

SUPCRTBL

SUPCRT is a software package to calculate thermodynamic properties for minerals, gases, aqueous species, and reactions at high temperatures and pressures. It is a FORTRAN program written originally by students and associates of Professor H.C. Helgeson at the University of California - Berkeley, and was updated by Jim W. Johnson, Eric H Oelkers and Everett Shock up to 1992 (Johnson et al., 1992). The original program uses the internally consistent database of minerals and gases from Helgeson et al. (1978). The Maier-Kelley heat capacity formulation was used for minerals.

Contact Us

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Dr Chen Zhu

Professor of Geological Sciences at Indiana University Bloomington and Haydn Murray Chair in Applied Clay Mineralogy
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