DC FieldValueLanguage
dc.contributorDepartment of Applied Mathematics-
dc.creatorFan, Xen_US
dc.creatorQiao, Zen_US
dc.creatorSun, Sen_US
dc.date.accessioned2021-04-13T06:08:30Z-
dc.date.available2021-04-13T06:08:30Z-
dc.identifier.issn1877-7503en_US
dc.identifier.urihttp://hdl.handle.net/10397/89596-
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.subjectCompositional variationen_US
dc.subjectConvex splittingen_US
dc.subjectGravity effecten_US
dc.subjectThe Peng–Robinson equation of stateen_US
dc.subjectThermodynamically consistent schemesen_US
dc.subjectUnbiased schemesen_US
dc.titleUnconditionally stable, efficient and robust numerical simulation of isothermal compositional grading by gravityen_US
dc.typeJournal/Magazine Articleen_US
dc.identifier.spage1en_US
dc.identifier.epage19en_US
dc.identifier.volume43en_US
dc.identifier.doi10.1016/j.jocs.2020.101109en_US
dcterms.abstractThe gravitational force has been considered as one of the most important factors leading to composition variation of multicomponent chemical species mixture in many industrial processes and natural phenomena. This has been largely studied through experimental and numerical modeling, especially in chemical processes and petroleum reservoir engineering. The modeling and simulation of dynamical process of composition variation under gravity is fundamentally important to understand the evolutionary process of petroleum reservoir formation and initial state. This work presents the dynamical modeling of composition variation in the framework of the modified Helmholtz free energy coupling with the realistic equations of state. An efficient, easy-to-implement, thermodyanmically consistent, and robust numerical scheme is proposed for the dynamical model. This scheme is rigorously proved to be unconditionally stable. The implementation is straightforward based on the single-component system and it is not required to choose a reference species for multicomponent fluids. For the multicomponent system of huge number of species, the proposed scheme allows to numerically compute the system of partial differential equations in a random order, which is called an “unbiased scheme” in this work. The current scheme is computationally efficient and saves computer memory. Several numerical examples are designed to verify the properties of the scheme.-
dcterms.accessRightsembargoed access-
dcterms.bibliographicCitationJournal of computational science, May 2020, v. 43, 101109, p. 1-19, https://doi.org/10.1016/j.jocs.2020.101109en_US
dcterms.isPartOfJournal of computational scienceen_US
dcterms.issued2020-05-
dc.identifier.scopus2-s2.0-85085577819-
dc.identifier.artn101109en_US
dc.description.validate202104 bcvc-
dc.description.oaNot applicable-
dc.identifier.FolderNumbera0711-n02-
dc.identifier.SubFormID1198-
dc.description.fundingSourceRGC-
dc.description.fundingSourceOthers-
dc.description.fundingText15300417, 15325816-
dc.description.fundingTextG-UAEY-
dc.description.pubStatusEarly release-
dc.date.embargo2022.05.31en_US
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