Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

Handle URI:
http://hdl.handle.net/10754/609007
Title:
Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility
Authors:
Kou, Jisheng; Sun, Shuyu ( 0000-0002-3078-864X )
Abstract:
In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng-Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from the microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young-Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young-Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young-Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.
KAUST Department:
Computational Transport Phenomena Lab; Physical Sciences and Engineering (PSE) Division
Citation:
Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility 2016 Journal of Computational Physics
Publisher:
Elsevier BV
Journal:
Journal of Computational Physics
Issue Date:
10-May-2016
DOI:
10.1016/j.jcp.2016.04.055
Type:
Article
ISSN:
00219991
Additional Links:
http://linkinghub.elsevier.com/retrieve/pii/S0021999116301103
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Transport Phenomena Lab

Full metadata record

DC FieldValue Language
dc.contributor.authorKou, Jishengen
dc.contributor.authorSun, Shuyuen
dc.date.accessioned2016-05-11T07:40:03Zen
dc.date.available2016-05-11T07:40:03Zen
dc.date.issued2016-05-10en
dc.identifier.citationMulti-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility 2016 Journal of Computational Physicsen
dc.identifier.issn00219991en
dc.identifier.doi10.1016/j.jcp.2016.04.055en
dc.identifier.urihttp://hdl.handle.net/10754/609007en
dc.description.abstractIn this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng-Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from the microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young-Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young-Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young-Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.en
dc.language.isoenen
dc.publisherElsevier BVen
dc.relation.urlhttp://linkinghub.elsevier.com/retrieve/pii/S0021999116301103en
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, 10 May 2016. DOI: 10.1016/j.jcp.2016.04.055en
dc.subjectMulti-component two-phase flowen
dc.subjectPartial miscibilityen
dc.subjectMulti-scale simulationen
dc.subjectEquation of stateen
dc.subjectYoung-Laplace equationen
dc.subjectTolman lengthen
dc.titleMulti-scale diffuse interface modeling of multi-component two-phase flow with partial miscibilityen
dc.typeArticleen
dc.contributor.departmentComputational Transport Phenomena Laben
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalJournal of Computational Physicsen
dc.eprint.versionPost-printen
dc.contributor.institutionSchool of Mathematics and Statistics, Hubei Engineering University, Xiaogan 432000, Hubei, Chinaen
dc.contributor.institutionSchool of Mathematics and Statistics, Xi'an Jiaotong University, Xi'an 710049, Chinaen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorSun, Shuyuen
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