Particle-based mesoscopic model for phase separation in a binary fluid mixture.

Abstract

A mesoscopic simulation model to study the phase separation in a binary fluid mixture in three dimensions (3D) is presented here by augmenting the existing particle-based multiparticle collision dynamics (MPCD) algorithm. The approach describes the nonideal equationof the fluid state by incorporating the excluded-volume interaction between the two components within the framework of stochastic collision, which depends on the local fluid composition and velocity. Calculating the nonideal contribution to the pressure both from simulation and analytics shows the model to be thermodynamically consistent. A phase diagram to explore the range of parameters that give rise to phase separation in the model is investigated. The interfacial width and phase growth obtained from the model agree with the literature for a wide range of temperatures and parameters.