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Geochemical Modeling

Geochemical Modeling

Descriptions

Map of Users

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Click here to use the applications

SUPCRTBL

A software package used to calculate thermodynamic properties for minerals, gases, aqueous species, and reactions at high temperatures and pressures.

PHREEQC ONLINE

PHREEQC is a geochemical modeling software distributed by the U.S. Geological Survey and developed by David Parkhurst and Tony Appelo. It is written in the C and C++ programming languages and is designed to perform a wide variety of aqueous geochemical modeling calculations.

SUPPHREEQC

An interactive program, developed to link SUPCRTBL and PHREEQC to facilitate modeling at temperatures and pressures suitable for clastic and carbonate diagenesis, geological carbon storage, and geothermal applications.

PHREEQC BASIC RATE SCRIPTS

A library of RATES blocks for about 100 minerals in BASIC scripts. The scripts can also be used as templates for writing other rate equations which users might wish to use.

Rates Calculator

Calculates far-from-equilibrium dissolution rates at a temperature and pH of your interest.

Computer Code and Database

The computer code and database presented here was put together to accommodate the needs of our departmental colleagues and students in petrological research, and was a collective effort by many of Zhu’s students over several years: Peng Lu (now at Saudi Aramco), Yanyan Chen (now at Petro China), Guanru Zhang (now a professor at Chengdu Univ of Technology), Kurt Zimmer (now a Data Science Manager at Wayfair), Yilun Zhang (now a senior scientist at InterTek environmental services), and Kevin Tu (undergrad in IU School of Informatics, Computing, and Engineering). Online implementation are assisted and guided by colleagues in the University Information Technology Services (Sudhakar Pamidighantam, Marcus Christie, Eroma Abeysinghe). Many parts are untested, and the users assume all responsibilities. We will continue making corrections. Kindly send comments and corrections to Chen Zhu at supcrt@indiana.edu.

Environmental Applications of Geochemical Modeling

Disclaimer

This material was prepared, in part, sponsored by an agency of the United States Government or Indiana University. Neither the United States Government, nor Indiana University, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights.

There is no Mac version of SUPCRT due to issues compiling Fortran to the many different versions of OSX, please use the online version instead.

SUPCRTBL is provided under this Creative Commons closed source license