GEM-SELEKTOR GEOCHEMICAL MODELING PACKAGE: TSolMod LIBRARY AND DATA INTERFACE FOR MULTICOMPONENT PHASE MODELS
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Abstract
The development of highly accurate and computationally efficient modeling software based on Gibbs energy minimization (GEM) makes it possible to thermodynamically simulate geochemically realistic subsurface fluid-rock interaction processes. This involves consideration of non-ideal multicomponent-multiphase systems that include dilute to concentrated aqueous electrolyte solutions, mineral solid solutions, supercritical fluids, silicate and metal melts, and sorption and ion exchange phases. Predicting the stability and thermodynamic properties of non-ideal solution phases over wide ranges of pressures and temperatures requires that theoretically sound and sufficiently accurate equation of state and activity…
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4Topics & keywords
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Keywords
- Interface (matter)
- Phase (matter)
- Geology
- R package
- Computer science
- Computational science
- Chemistry
- Operating system
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