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Thermodynamic Database Population Software (DBCreate)

DOE Grant Recipients

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<span id="Caption"><span id="ctl00_MainContentHolder_zoomimage_defaultCaption">Geochemical modeling relies on accurate and up to date thermodynamic databases.</span></span>
Geochemical modeling relies on accurate and up to date thermodynamic databases.

<span id="Caption"><span id="ctl00_MainContentHolder_zoomimage_defaultCaption">Thermodynamic databases and geochemical modeling are used in petroleum engineering, waste disposal and mining industries.</span></span>
Thermodynamic databases and geochemical modeling are used in petroleum engineering, waste disposal and mining industries.

<span id="Caption"><span id="ctl00_MainContentHolder_zoomimage_defaultCaption">The thermodynamic database population software works with Geochemist Work Bench, ToughReact, and EQ3/6 databases by providing a fast and convenient method to update and maintain thermodynamic databases.</span></span>
The thermodynamic database population software works with Geochemist Work Bench, ToughReact, and EQ3/6 databases by providing a fast and convenient method to update and maintain thermodynamic databases.

Technology Marketing Summary

Update Thermodynamic Databases for Modeling Geochemical Processes

The DBCreate software quickly and accurately updates thermodynamic databases used in geochemical modeling, based on changes in temperatures and pressures. The software facilitates the production of pressure, temperature and problem specific geochemical thermodynamic databases conveniently and quickly while minimizing the possibility of introducing errors caused by manual entry.

Description

Geochemical Modeling Requires Accurate Thermodynamic Databases

Thermodynamic databases are critical for modeling geochemical processes associated with aqueous species, redox, mineral, and gas solubility reactions. The accuracy of thermodynamic databases directly affects the capability of geochemical models. Therefore, it is essential that the databases are continuously revised and maintained over time as more accurate or revised data becomes available. Geochemical modeling can be found in petroleum engineering, mining, and waste disposal.

The software works with existing thermodynamic database software; specifically Geochemist Work Bench, ToughReact, and EQ3/6. Users enter temperatures and pressures and DBCreate creates the SUPCTR92 formatted reaction (RXN) files and the user-required object database.

Benefits
  • Fast and accurate automated updating of geochemical thermodynamic databases
  • Interactive user interface
  • Works with Geochemist Work Bench, ToughReact, and EQ3/6 databases
  • Applications in petroleum engineering, mining and waste disposal
More Information

Inventor(s)

Martin Saar, PhD Associate Professor, Gibson Chair of Hydrogeology and Geofluids, Department of Earth Sciences, School of Science and Engineering

Dr. Saar’s research involves fluid dynamics to investigate geoscience processes with an emphasis on multiphase, multicomponent, and multi-scale heterogeneous systems. He uses two dedicated geofluids laboratories for research: a wet lab and a computer lab. The wet lab allows performance of experiments involving water, corn syrup, suspensions, and other analog fluids. The computer lab includes a multi-processor Linux cluster and several Linux and Windows PCs.

Xiangzhao Kong, PhD PostDoc, Department of Earth Sciences, School of Sciences and Engineering

Ben Tutolo

 

Availability:

End User licenses for the DBCreate software are available at the University of Minnesota Technology website.

The link to the site is http://license.umn.edu/technologies/20120324_thermodynamic-database-population-software-dbcreate.

Technology Status
Development StageAvailabilityPublishedLast Updated
DevelopmentAvailable - End User licenses for the DBCreate software are available at the University of Minnesota Technology website - http://license.umn.edu/technologies/20120324_thermodynamic-database-population-software-dbcreate.01/25/201301/25/2013

Contact GRANT About This Technology

To: Andrew Morrow<amorrow@umn.edu>