A New Multi-Component Diffuse Interface Model with Peng-Robinson Equation of State and Its Scalar Auxiliary Variable (SAV) Approach

A New Multi-Component Diffuse Interface Model with Peng-Robinson Equation of State and Its Scalar Auxiliary Variable (SAV) Approach

Year:    2019

Author:    Zhonghua Qiao, Shuyu Sun, Tao Zhang, Yuze Zhang

Communications in Computational Physics, Vol. 26 (2019), Iss. 5 : pp. 1597–1616

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.

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Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/cicp.2019.js60.06

Communications in Computational Physics, Vol. 26 (2019), Iss. 5 : pp. 1597–1616

Published online:    2019-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    20

Keywords:    Peng-Robinson equation of state multi-component diffuse interface model scalar auxiliary variable approach energy stable scheme.

Author Details

Zhonghua Qiao

Shuyu Sun

Tao Zhang

Yuze Zhang