Simulation of vapour-liquid equilibria for branched alkanes |
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| Authors: | SHYAMAL K NATH JUAN J DE PABLO |
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| Institution: | Department of Chemical Engineering , University of Wisconsin , Madison, WI, 53706, USA |
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| Abstract: | 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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