Multi-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Media

Handle URI:
http://hdl.handle.net/10754/613007
Title:
Multi-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Media
Authors:
Saad, Ahmed Mohamed ( 0000-0003-4078-5917 ) ; Kadoura, Ahmad Salim ( 0000-0001-9317-682X ) ; Sun, Shuyu ( 0000-0002-3078-864X )
Abstract:
In 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.
KAUST Department:
Earth Science and Engineering
Citation:
Multi-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Media 2016, 80:1354 Procedia Computer Science
Publisher:
Elsevier BV
Journal:
Procedia Computer Science
Conference/Event name:
International Conference on Computational Science 2016
Issue Date:
1-Jun-2016
DOI:
10.1016/j.procs.2016.05.428
Type:
Conference Paper
ISSN:
18770509
Sponsors:
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
Additional Links:
http://linkinghub.elsevier.com/retrieve/pii/S1877050916309085
Appears in Collections:
Conference Papers

Full metadata record

DC FieldValue Language
dc.contributor.authorSaad, Ahmed Mohameden
dc.contributor.authorKadoura, Ahmad Salimen
dc.contributor.authorSun, Shuyuen
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 Scienceen
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.en
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).en
dc.publisherElsevier BVen
dc.relation.urlhttp://linkinghub.elsevier.com/retrieve/pii/S1877050916309085en
dc.rightsArchived with thanks to Procedia Computer Science. Under a Creative Commons license http://creativecommons.org/licenses/by-nc-nd/4.0/en
dc.subjectMonte Carlo molecular simulationen
dc.subjectReservoir modellingen
dc.subjectDarcy flowen
dc.subjectReweighting and reconstructionen
dc.subjectNVT and NpT ensemblesen
dc.titleMulti-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Mediaen
dc.typeConference Paperen
dc.contributor.departmentEarth Science and Engineeringen
dc.identifier.journalProcedia Computer Scienceen
dc.conference.date6-8 June 2016en
dc.conference.nameInternational Conference on Computational Science 2016en
dc.conference.locationSan Diego, California, USAen
dc.eprint.versionPublisher's Version/PDFen
kaust.authorSaad, Adelen
kaust.authorKadoura, Ahmad Salimen
kaust.authorSun, Shuyuen
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