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dc.contributor.authorFeng, Xiaoyu
dc.contributor.authorChen, Meng-Huo
dc.contributor.authorWu, Yuanqing
dc.contributor.authorSun, Shuyu
dc.date.accessioned2022-05-11T06:54:42Z
dc.date.available2022-05-11T06:54:42Z
dc.date.issued2022-05-10
dc.identifier.citationFeng, X., Chen, M.-H., Wu, Y., & Sun, S. (2022). A fully explicit and unconditionally energy-stable scheme for Peng-Robinson VT flash calculation based on dynamic modeling. Journal of Computational Physics, 111275. https://doi.org/10.1016/j.jcp.2022.111275
dc.identifier.issn0021-9991
dc.identifier.doi10.1016/j.jcp.2022.111275
dc.identifier.urihttp://hdl.handle.net/10754/676738
dc.description.abstractSince the Peng-Robinson (PR) equation of state (EoS) has proven itself to be one of the most reliable EoS, especially in the chemical and petroleum industries, the flash calculation based on the PR EoS is considered to be a foundation for describing complex compositional flows and for evaluating hydrocarbon reservoirs. Compared to the traditional Pressure-Temperature (PT) flash calculation, the novel Volume-Temperature (VT) flash calculation has become more appealing due to its advantages, such as less sensitivity to primary variables like pressure or volume. However, previous numerical schemes of the VT flash calculation involved many complicated nonlinear systems, which makes convergence hard to achieve. To treat this challenge, a fully explicit and unconditionally energy-stable scheme is proposed in this work. It is known that the dynamic model for VT flash calculation can preserve both the Onsager's reciprocal principle and the energy dissipation law. By combining the dynamic model and the linear semi-implicit scheme, the moles and volume can be updated, with the advantage that the energy-dissipation feature can be preserved at a discrete level unconditionally. Then, with the convex-concave splitting approach and the component-wise iteration framework, the scheme becomes fully explicit. The scheme shows promising potential not only because it inherits the original energy stability to ensure convergence, but it also reduces the implementation burden significantly in some engineering scenarios. A lot of numerical experiments are carried out. The numerical results show good agreement with benchmark data and the energy decaying trend at a very large time step demonstrates the stability and efficiency of the proposed scheme.
dc.description.sponsorshipPartially supported by King Abdullah University of Science and Technology (KAUST) through the grants BAS/1/1351-01, URF/1/4074-01, and URF/1/3769-01. The authors also acknowledge support from the National Natural Science Foundation of China (No.51874262 and No.51936001), Peacock Plan Foundation of Shenzhen (No.000255), the General Program of Natural Science Foundation of Shenzhen (No.20200801100615003) and Ministry of Science and Technology, R.O.C. (No.108-2115-M-194-004-MY2).
dc.publisherElsevier BV
dc.relation.urlhttps://linkinghub.elsevier.com/retrieve/pii/S0021999122003370
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Journal of Computational Physics. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Computational Physics, [, , (2022-05-10)] DOI: 10.1016/j.jcp.2022.111275 . © 2022. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.titleA fully explicit and unconditionally energy-stable scheme for Peng-Robinson VT flash calculation based on dynamic modeling
dc.typeArticle
dc.contributor.departmentComputational Transport Phenomena Laboratory (CTPL), Division of Physical Sciences and Engineering (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal, 23955-6900, Saudi Arabia
dc.contributor.departmentEarth Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalJournal of Computational Physics
dc.rights.embargodate2024-05-10
dc.eprint.versionPost-print
dc.contributor.institutionDepartment of Mathematics, National Chung Cheng University, Chiayi, 62102, Taiwan
dc.contributor.institutionCollege of Mathematics and Statistics, Shenzhen University, Shenzhen, 518060, Guangdong, China
dc.identifier.pages111275
kaust.personFeng, Xiaoyu
kaust.personSun, Shuyu
kaust.grant.numberBAS/1/1351-01
kaust.grant.numberURF/1/3769-01
kaust.grant.numberURF/1/4074-01


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