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: Chapter in Book/Report/Conference proceedingConference contribution

3 Scopus citations


This research addresses a sequential convex splitting method for numerical simulation of multicomponent two-phase fluids mixture in a single-pore at constant temperature, which is modeled by the gradient theory with Peng-Robinson equation of state. 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 (US)
Title of host publicationProcedia Computer Science
PublisherElsevier BV
Number of pages10
StatePublished - Jun 2 2016

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The research of Fan and Sun reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).


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