Indiana University Bloomington
A Library of Basic Scripts of Rate Equations for Geochemical Modeling Using ᴘʜʀᴇᴇǫᴄ
This work was partly supported by NSF grant EAR-1926734, the endowment for the Haydn Murray Chair, and the Office of the Vice Provost for Research of Indiana University.
This is a library of RATES blocks in BASIC language for the USGS geochemical modeling program ᴘʜʀᴇᴇǫᴄ. About 100 minerals and phases are included in this library. For documentation and citation, users should consult and refer to the article:
- Zhang YL, Hu B, Teng YG, Zhu C (2019) A library of BASIC scripts of rate equations for geochemical modeling using ᴘʜʀᴇᴇǫᴄ. Computers & Geosciences, v133, DOI
A companion PHASES block library that is needed to use the RATES scripts is also provided. Both RATES and PHASES blocks are included in datasets, phreeqc-kinetics.dat, diagenesis.dat, and geothermal.dat which are options for online ᴘʜʀᴇᴇǫᴄ. If you just need to know the value of reaction rates at a temperature and pH of your interest, you can use the rate calculator. All phases in the library are included in the calculator.
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.
