Modeling Applications and Reaction Pathways
The Modeling Applications and Reaction Pathways Topic emphasizes computer-based reaction-path geochemical modeling, hydrologic fluid-flow modeling, coupled geochemical/fluid-flow modeling, and laboratory experimental modeling of mineralogically complex systems. This task maintains MRP access to the powerful Geochemist's Workbench® suite of computer programs licensed through the University of Illinois.
The objective of this task is to enhance USGS capabilities in the modeling of the chemical and physical processes associated with water-rock interactions from ambient to hydrothermal temperatures. Emphasis will be placed, where possible, on coupling fluid flow with reactive transport modeling to describe the equilibrium and kinetic geochemical evolution of rocks and waters in a given system for both major-element and isotopic species. Focus will be on metal-bearing systems from both an ore genesis and environmental perspective. A key aspect of the modeling efforts will be maintaining Mineral Resource Program (MRP) access to the powerful Geochemist's Workbench® suite of computer programs licensed through the University of Illinois. A three-pronged approach will be employed to strengthen USGS modeling capabilities. First, the breadth of capabilities of the Geochemist's Workbench® suite of programs will be explored with an emphasis on demonstrating capability and disseminating expertise to interested researchers. Second, thermodynamic and kinetic data for important species will be compiled, critically evaluated, and made available to the scientific community in a web-based format. Third, selected experimental studies aimed at providing critical thermodynamic values, kinetic rate constants, and (or) isotopic fractionation factors will be conducted to fill crucial gaps in databases used for computer modeling.
- Modeling Applications and Thermodynamic Database Development
- Reaction Pathways and Geochemical Modeling