A novel energy factorization approach for the diffuse-interface model with Peng-Robinson equation of state
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Publication:5208731
DOI10.1137/19M1251230zbMATH Open1432.65169arXiv1903.08852WikidataQ126398612 ScholiaQ126398612MaRDI QIDQ5208731FDOQ5208731
Authors: Jisheng Kou, Shuyu Sun, Xiu-Hua Wang 
Publication date: 10 January 2020
Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)
Abstract: The Peng-Robinson equation of state (PR-EoS) has become one of the most extensively applied equations of state in chemical engineering and petroleum industry due to its excellent accuracy in predicting the thermodynamic properties of a wide variety of materials, especially hydrocarbons. Although great efforts have been made to construct efficient numerical methods for the diffuse interface models with PR-EoS, there is still not a linear numerical scheme that can be proved to preserve the original energy dissipation law. In order to pursue such a numerical scheme, we propose a novel energy factorization (EF) approach, which first factorizes an energy function into a product of several factors and then treats the factors using their properties to obtain the semi-implicit linear schemes. We apply the EF approach to deal with the Helmholtz free energy density determined by PR-EoS, and then propose a linear semi-implicit numerical scheme that inherits the original energy dissipation law. Moreover, the proposed scheme is proved to satisfy the maximum principle in both the time semi-discrete form and the cell-centered finite difference fully discrete form under certain conditions. Numerical results are presented to demonstrate the stability and efficiency of the proposed scheme.
Full work available at URL: https://arxiv.org/abs/1903.08852
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Variational principles of physics (49S05) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50) Finite element methods applied to problems in fluid mechanics (76M10) Diffusion (76R50)
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