Fugacity-based diffuse-interface model of multicomponent multiphase flow

UDC.coleccionInvestigación
UDC.departamentoEmpresa
UDC.grupoInvGrupo de Métodos Numéricos en Enxeñaría (GMNI)
UDC.issue118171
UDC.journalTitleComputer Methods in Applied Mechanics and Engineering
UDC.volume445
dc.contributor.authorCueto-Felgueroso Landeira, Luis
dc.contributor.authorSoage Quintáns, Manuel Andrés
dc.contributor.authorAyala, Luis F.
dc.date.accessioned2025-10-28T07:24:22Z
dc.date.available2025-10-28T07:24:22Z
dc.date.issued2025
dc.description.abstract[Abstract]: We propose a fugacity-based diffuse-interface model for multicomponent multiphase (MCMP) flow. Utilizing a simplified Darcy–Korteweg model tailored for Hele-Shaw cells or micromodels, we evaluated the model’s capability to accurately capture MCMP hydrodynamics while fully adhering to the thermodynamic behavior dictated by both cubic and non-cubic equations of state for multicomponent fluids. This approach addresses significant challenges that have previously hindered the direct simulation of multiphase flows involving multicomponent mixtures with complex phase behavior. Our manuscript applies the proposed methodology to multicomponent mixtures described by standard cubic equations of state, such as the Peng– Robinson and Soave–Redlich–Kwong models. Additionally, we extend our analysis to include cubic-plus-association (CPA) models, which account for specific molecular interactions, and the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state, known for its accuracy in representing complex fluids. By incorporating these diverse equations of state, our model demonstrates versatility and robustness in capturing the intricate flow dynamics of MCMP systems. Our findings reveal that the model effectively captures these dynamics, validating its potential for studying a broad range of MCMP flows in porous media. This work paves the way for more accurate and comprehensive simulations of multiphase flows, offering valuable insights for various applications in fields such as petroleum engineering, environmental science, and chemical engineering.
dc.description.sponsorshipThis work has received funding from the Spanish Ministry of Science and Innovation, through grant TED2021-129991BC32 financed by Spanish MCIN/AEI/10.13039/501100011033 and European Union Next Generation EU/PRTR. L.F.A. gratefully acknowledges support from the William A. Fustos Family Professorship in Energy and Mineral Engineering and sabbatical funding from the John and Willie Leone Family Department of Energy and Mineral Engineering at The Pennsylvania State University. A.S. gratefully acknowledges support from the Spanish Ministry of Universities (‘‘Margarita Salas" Grant for the Training of Young Doctors, RD 289/2021 of April 20).
dc.identifier.citationCueto-Felgueroso, L., Soage, A., & Ayala, L. F. (2025). Fugacity-based diffuse-interface model of multicomponent multiphase flow. Computer Methods in Applied Mechanics and Engineering, 445, 118171. https://doi.org/10.1016/j.cma.2025.118171
dc.identifier.doi10.1016/j.cma.2025.118171
dc.identifier.issn0045-7825
dc.identifier.issn1879-2138
dc.identifier.urihttps://hdl.handle.net/2183/46122
dc.language.isoeng
dc.publisherElsevier
dc.relation.projectIDinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/ TED2021- 129991B-C32/ES/
dc.relation.urihttps://doi.org/10.1016/j.cma.2025.118171
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internationalen
dc.rights.accessRightsopen access
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectPhase-field modeling
dc.subjectMulticomponent multiphase flow
dc.subjectFugacity
dc.subjectThermodynamic models
dc.subjectNavier–Stokes Korteweg equations
dc.titleFugacity-based diffuse-interface model of multicomponent multiphase flow
dc.typejournal article
dc.type.hasVersionVoR
dspace.entity.typePublication
relation.isAuthorOfPublicatione80b65d0-8fe1-40a8-8330-3b72a786d274
relation.isAuthorOfPublication.latestForDiscoverye80b65d0-8fe1-40a8-8330-3b72a786d274

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