A new multi-component diffuse interface model with Peng-Robinson equation of state and its Scalar Auxiliary Variable (SAV) approach

Abstract

A new multi-component diffuse interface model with the Peng-Robinson equation of state is developed. Initial values of mixtures are given through the NVT flash calculation. This model is physically consistent with constant diffusion parameters, which allows us to use fast solvers in the numerical simulation. In this paper, we employ the scalar auxiliary variable (SAV) approach to design numerical schemes. It reformulates the proposed model into a decoupled linear system with constant coefficients that can be solved fast by using fast Fourier transform. Energy stability is obtained in the sense that the modified discrete energy is non-increasing in time. The calculated interface tension agrees well with laboratory experimental data.