Modeling pore-scale oil-gas systems using gradient theory with peng-robinson equation of state

Xiaolin Fan, Jisheng Kou, Zhonghua Qiao, Shuyu Sun

Research output: Journal article publicationConference articleAcademic researchpeer-review

3 Citations (Scopus)


Published by Elsevier B.V. This research addresses a sequential convex splitting method for numerical simulation of multi-component two-phase fluids mixture in a single pore at constant temperature, which is modeled by the gradient theory with the Peng-Robinson equation of state (EoS). The gradient theory of thermodynamics and variational calculus are utilized to obtain a system of chemical equilibrium equations which are transformed into a transient system as a numerical strategy on which the numerical scheme is based. The proposed numerical algorithm avoids computing Hessian matrix arising from the second-order derivative of homogeneous contribution of free energy; it is also quite robust. This scheme is proved to be unconditionally component-wise energy stable. The Raviart-Thomas mixed finite element method is applied to spatial discretization.
Original languageEnglish
Pages (from-to)1364-1373
Number of pages10
JournalProcedia Computer Science
Publication statusPublished - 1 Jan 2016
EventInternational Conference on Computational Science, ICCS 2016 - Catamaran Resort Hotel and Spa, San Diego, United States
Duration: 6 Jun 20168 Jun 2016


  • Convex splitting
  • Gradient theory
  • Mixed finite element methods
  • Peng-robinson equation of State

ASJC Scopus subject areas

  • Computer Science(all)

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