The Monte Carlo method was used to calculate phase equilibrium of the methane-ethylene mixture. To describe the molecular interaction potential used Karr-Konowalow with the parameters defined by the line Zeno in previous works. The calculated values of phase composition and vapor pressure showed a good agreement with experiment.
ансамбль Гиббса, фазовое равновесие, метан, этилен, Gibbs ensemble, phase equilibria, methane, ethylene
1. M.P. Allen, D.J. Tildesley, Computer simulation of liquids. Clarendon Press, Oxford, 1989, 385 p.
2. W.L. Jorgensen, J. Phys. Chem., 90, 7, 1276-1284 (1986)
3. W.L. Jorgensen, J.D. Madura, C.J. Swenson, J. Am. Chem. Soc., 106, 22, 6638-6646 (1984)
4. M.G. Martin, J.I. Siepmann, J. Phys. Chem. B, 102, 14, 2569-2577 (1998)
5. M.G. Martin, J.I. Siepmann, J. Phys. Chem. B, 103, 21, 4508-4517 (1999)
6. C.D. Wick, M.G. Martin, J.I. Siepmann, J. Phys. Chem. B, 104, 33, 8008-8016 (2000)
7. I.P. Anashkin, A.V. Klinov, G.S. D'yakonov, Vestnik Kazanskogo Tehnologicheskogo Universiteta, 11, 18-23 (2010)
8. I.P. Anashkin, A.V. Klinov, Vestnik Kazanskogo Tehnologicheskogo Universiteta, 20, 11-15 (2011)
9. I.P. Anashkin, A.V. Klinov, Vestnik Kazanskogo Tehnologicheskogo Universiteta, 11, 84-85 (2012)
10. A.Z. Panagiotopoulos, Mol. Phys., 61, 4, 813-826 (1987)
11. A.Z. Panagiotopoulos, J. Phys. Condens. Matter, 12, 3, R25-R52 (2000)
12. http://towhee.sourceforge.net/
13. V.B. Kogan, V.M. Fridman, Kafarov V.V., Ravnovesie mezhdu zhidkost'yu i parom. Izdatel'stvo “Nauka,” Moskva-Leningrad, 1966, 645 s.