This article is cited in 2 papers

Computer simulation of a thermodynamic equilibrium in complex heterogeneous systems

G. V. Belov

M. V. Lomonosov Moscow State University, Department of Chemistry

Abstract: The complex approach to the problem of thermodynamic analysis of chemical equilibrium in heterogene-ous systems is proposed. The approach is result of generalization of existing methods and algorithms and provides possibility to simulate behavior of thermodynamic systems using ideal or non-ideal models. An algorithm has been developed for calculation of equilibrium composition in non-ideal, gasless systems or systems with small amount of the gas phase. The information models, which were used to develop the databases on physical and chemical properties, are created.

Received: 09.03.2004

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