A new united atom force field for α-olefins
- 22 February 2001
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 114 (8) , 3612-3616
- https://doi.org/10.1063/1.1343487
Abstract
A new united-atom force field is proposed for α-olefins. The proposed force field is used to study vapor–liquid equilibria for pure components and binary mixtures. Results of phase equilibria simulations are found to be in good agreement with available experimental data.Keywords
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