The Goldschmidt 2021 Virtual Short Course:
Advanced Geochemical Modeling
2-3 July 2021
Instructors:
Peng Lu, EXPEC Advanced Research Center, Saudi Aramco
Chen Zhu, Indiana University
The Goldschmidt 2021 Virtual Short Course:
Advanced Geochemical Modeling
Geochemical modeling is a powerful tool, which has wide applications in geology, hydrogeology, environmental sciences and engineering, and petroleum geology. Recently, new databases, functions, code enhancements, and utilities associated with the computer programs Supcrtbl (Zimmer et al., 2016) and Phreeqc (Parkhurst and Appelo, 2013) have greatly expanded the applicability ranges of these modeling tools. This includes expanding speciation, solubility, reaction path modeling up to T and P of 5 kb and 1000 oC; A kinetics library of rate equations and parameters of about 100 minerals (Zhang et al., 2019).
This workshop will introduce these new tools and use examples to demonstrate these expanded geochemical modeling capabilities with examples for modeling silicate dissolution experiments, clastic and carbonate diagenesis, geothermal fluids, and geological CO2 storage.
Reading List
Johnson, J. W., Oelkers, E. H., and Helgeson, H. C. (1992). SUPCRT92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000 C. Computers and Geosciences 18(7):899-947.
Parkhurst, D. L., and Appelo, C. A. J. (2013). Description of input and examples for PHREEQC version 3: a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations (No. 6-A43). US Geological Survey.
Zhang, G., Lu, P., Zhang, Y., Tu, K., and Zhu, C. (2020). Sup Phreeqc: A program for generating customized Phreeqc thermodynamic datasets from Supcrtbl and extending calculations to elevated pressures and temperatures. Computers and Geosciences 143:104560.
Zhang, Y., Hu, B., Teng, Y., Tu, K., and Zhu, C. (2019). A library of BASIC scripts of reaction rates for geochemical modeling using Phreeqc. Computers and Geosciences 133:104316.
Zhu C and Anderson GM (2002) Environmental Applications of Geochemical Modeling. Cambridge University Press, London, 304 pp. weblink
Zimmer, K., Zhang, Y., Lu, P., Chen, Y., Zhang, G., Dalkilic, M., and Zhu, C. (2016). SUPCRTBL: a revised and extended thermodynamic dataset and software package of SUPCRT92. Computers and Geosciences 90:97-11.