Fluid mixtures: contrasts of theoretical and simulation approaches, and comparison with experimental alkane properties.
In this work we compare lattice and continuum versions of the same theory, as derived in the previous paper (Paper I), to predict the behavior of simple alkane mixtures. In the course of doing this we use characteristic parameters obtained for the pure alkane fluids; no fits of mixture properties are involved. Our two sets of predictions are tested against experimental data and against new Monte Carlo simulation results. The experimental properties of interest include mixed pressure-volume-temperature surfaces, as well as a variety of coexistence diagrams characterizing mixed system liquid-vapor equilibria. We contrast the performance of the lattice and continuum approaches and discuss the results in the context of underlying model approximations as derived in Paper I.
White
Ronald P
RP
Department of Chemistry, Dartmouth College, Hanover, New Hampshire 03755, USA.
Lipson
Jane E G
JE