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dc.contributor.authorSaad, Ahmed Mohamed
dc.contributor.authorKadoura, Ahmad Salim
dc.contributor.authorSun, Shuyu
dc.date.accessioned2016-06-14T09:03:14Z
dc.date.available2016-06-14T09:03:14Z
dc.date.issued2016-06-01
dc.identifier.citationMulti-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Media 2016, 80:1354 Procedia Computer Science
dc.identifier.issn18770509
dc.identifier.doi10.1016/j.procs.2016.05.428
dc.identifier.urihttp://hdl.handle.net/10754/613007
dc.description.abstractIn this work, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell centered finite difference method with non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational times by MC simulations from hours to seconds. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and the Darcy's one in reservoir simulators. This leads to an accurate description of thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
dc.publisherElsevier BV
dc.relation.urlhttp://linkinghub.elsevier.com/retrieve/pii/S1877050916309085
dc.rightsArchived with thanks to Procedia Computer Science. Under a Creative Commons license http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectMonte Carlo molecular simulation
dc.subjectReservoir modelling
dc.subjectDarcy flow
dc.subjectReweighting and reconstruction
dc.subjectNVT and NpT ensembles
dc.titleMulti-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Media
dc.typeConference Paper
dc.contributor.departmentKAUST Visualization Laboratory (KVL)
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentEarth Science and Engineering Program
dc.identifier.journalProcedia Computer Science
dc.conference.date6-8 June 2016
dc.conference.nameInternational Conference on Computational Science 2016
dc.conference.locationSan Diego, California, USA
dc.eprint.versionPublisher's Version/PDF
kaust.personSaad, Adel
kaust.personKadoura, Ahmad Salim
kaust.personSun, Shuyu
refterms.dateFOA2018-06-13T17:56:52Z


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