RT Journal Article
T1 Improved vapor–liquid equilibria predictions for Lennard-Jones chains from the statistical associating fluid dimer theory: Comparison with Monte Carlo simulations
A1 Jiménez Blas, Felipe
A1 Vega, Lourdes F.
AB The statistical associating fluid theory (SAFT), with monomer and dimer Lennard-Jones (LJ) reference fluids, is used to predict the phase equilibria of pure chains with different lengths. Predictions from the two versions of the theory are compared with Monte Carlo simulation results taken from the literature. We find that the additional structural information from the dimer version of the theory gives predictions in better agreement with simulation values. It is also found that the dimer version provides a much better description of the vapor pressure than the monomer one forlong chains for which simulation data are available.
SN 0021-9606
SN 1089-7690 (electrónico)
YR 2001
FD 2001
LK http://hdl.handle.net/10272/17331
UL http://hdl.handle.net/10272/17331
LA eng
NO Blas, F. J., & Vega, L. F. (2001). Improved vapor–liquid equilibria predictions for Lennard-Jones chains from the statistical associating fluid dimer theory: Comparison with Monte Carlo simulations. The Journal of Chemical Physics, 115(9), 4355–4358. https://doi.org/10.1063/1.1390506
DS Repositorio Institucional de la Universidad de Huelva
RD 14 jul 2026