The Role of Computer Simulation in Studying Fluid Phase Equilibria

摘要: Abstract Computer simulations provide a method for studying mixtures in which the intermolecular forces are precisely defined. They can be used to study specific systems, where laboratory experiments may too costly, time consuming, or difficult, develop better theoretical equations of state. In this paper we first review some most promising methods phase equilibria fluid mixtures. These divided into direct methods, simulate two-phase system itself, and indirect chemical potential homogeneous is determined. Examples use each these approaches given, including determination vapour-liquid binary properties dilute solutions. This followed by an application objective equation state polar associated fluids. Here, computer simulation more suitable reference term such