Calculation of Vapour-Liquid Equilibria of Lennard-Jones Binary Systems by the Gibbs Ensemble Monte Carlo Simulation |
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| Authors: | Toru Nishimura Koichiro Nakanishi |
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| Affiliation: | Division of Molecular Engineering and Department of Industrial Chemistry , Kyoto University , Sakyo-ku, Kyoto, 606, Japan |
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| Abstract: | ![]()
Abstract The Gibbs ensemble Monte Carlo simulation has been used to calculate vapour-liquid equilibria of a Lennard-Jones (LJ) binary mixture. The mixture studied is the LB-2-1 model which has been used in our previous calculations on PVT relation and density-dependent local composition. The P-x-y relation has been established at two different temperatures and used to determine vapour-liquid coexistence region in the PVTx space. |
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| Keywords: | Monte Carlo vapour-liquid equilibria Gibbs ensemble Lennard-Jones mixture |
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