Journal of Chemical Physics, Vol.114, No.8, 3612-3616, 2001
A new united atom force field for alpha-olefins
A new united-atom force field is proposed for alpha -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. (C) 2001 American Institute of Physics.