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 andyield much physicochemical in formation. Computer modeling may produce "experimental data"even under experimentally difficult conditions. They provide important methods for the studyof geological fluid systems on the quantitative basis.
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