Geodesic
Computer simulation of a thermodynamic equilibrium in complex heterogeneous systems
Matematičeskoe modelirovanie, Tome 17 (2005) no. 2, pp. 81-91 
G. V. Belov. Computer simulation of a thermodynamic equilibrium in complex heterogeneous systems. Matematičeskoe modelirovanie, Tome 17 (2005) no. 2, pp. 81-91. http://geodesic.mathdoc.fr/item/MM_2005_17_2_a7/
@article{MM_2005_17_2_a7,
     author = {G. V. Belov},
     title = {Computer simulation of a~thermodynamic equilibrium in complex heterogeneous systems},
     journal = {Matemati\v{c}eskoe modelirovanie},
     pages = {81--91},
     year = {2005},
     volume = {17},
     number = {2},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/MM_2005_17_2_a7/}
}
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Voir la notice de l'article provenant de la source Math-Net.Ru

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.