4.4 Article

Simulation of vapour-liquid equilibria for branched alkanes

Journal

MOLECULAR PHYSICS
Volume 98, Issue 4, Pages 231-238

Publisher

TAYLOR & FRANCIS LTD
DOI: 10.1080/00268970009483286

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A new united-atom force field is proposed for branched and linear alkanes. The proposed force field is used to study vapour-liquid equilibria for pure components and binary mixtures. Results of phase equilibria simulations are found to be in good agreement with available experimental data.

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