Fluid mixtures: Contrasts of theoretical and simulation approaches,and comparison with experimental alkane properties

摘要

In this work we compare lattice and continuum versions of the same theory, as derived in theprevious paper (Paper I), to predict the behavior of simple alkane mixtures. In the course of doingthis we use characteristic parameters obtained for the pure alkane fluids; no fits of mixture propertiesare involved. Our two sets of predictions are tested against experimental data and against newMonte Carlo simulation results. The experimental properties of interest include mixedpressure-volume-temperature surfaces, as well as a variety of coexistence diagrams characterizingmixed system liquid-vapor equilibria. We contrast the performance of the lattice and continuumapproaches and discuss the results in the context of underlying model approximations as derived inPaper I.