Volume 26, Issue 5
A New Multi-Component Diffuse Interface Model with Peng-Robinson Equation of State and its Scalar Auxiliary Variable (SAV) Approach

Zhonghua Qiao, Shuyu Sun, Tao Zhang & Yuze Zhang

Commun. Comput. Phys., 26 (2019), pp. 1597-1616.

Published online: 2019-08

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  • 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.

  • Keywords

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

  • AMS Subject Headings

65N06, 65B99

  • Copyright

COPYRIGHT: © Global Science Press

  • Email address

zhonghua.qiao@polyu.edu.hk (Zhonghua Qiao)

shuyu.sun@kaust.edu.sa (Shuyu Sun)

tao.zhang.1@kaust.edu.sa (Tao Zhang)

16903152r@connect.polyu.hk (Yuze Zhang)

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@Article{CiCP-26-1597, author = {Qiao , Zhonghua and Sun , Shuyu and Zhang , Tao and Zhang , Yuze }, title = {A New Multi-Component Diffuse Interface Model with Peng-Robinson Equation of State and its Scalar Auxiliary Variable (SAV) Approach}, journal = {Communications in Computational Physics}, year = {2019}, volume = {26}, number = {5}, pages = {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.

}, issn = {1991-7120}, doi = {https://doi.org/ 10.4208/cicp.2019.js60.06}, url = {http://global-sci.org/intro/article_detail/cicp/13277.html} }
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