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Computer modeling and simulation of geofluids: A general review and sample description

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Abstract

Thermodynamic properties of fluids are essential for the understanding of the geochemical behavior of various processes. The paper introduces the most updated computer modeling and simulation methods in the study of thermodynamics of geofluids, including semiempirical models (such as equation of state) and molecular dynamics and Monte Carlo simulation. A well-established semi-empirical model can interpolate and extrapolate experimental data and yield much physicochemical information. Computer modeling may produce “experimental data” even under experimentally difficult conditions. They provide important methods for the study of geological fluid systems on the quantitative basis.

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Authors and Affiliations

  1. Department of Earth Sciences, Nanjing University, 210093, Nanjing

    Hu Wenxuan & Ren Qijiang

  2. Department of Chemistry, 0340, University of California, 92093-0340, San Diego La Jolla, CA, U. S. A.

    Duan Zhenhao

Authors
  1. Hu Wenxuan
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  2. Duan Zhenhao
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  3. Ren Qijiang
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Additional information

This project has been supported by National Natural Science Foundation of China and the Department of Energy (DE-FG07-93ID13247), Central Canada Potash, and Unocal Oil Company.

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Hu, W., Duan, Z. & Ren, Q. Computer modeling and simulation of geofluids: A general review and sample description. Chin. J. Geochem. 16, 240–247 (1997). https://doi.org/10.1007/BF02870907

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