{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/45649"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/45649","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Liquid flow past nanoscale objects","abstract":"We present nonequilibrium molecular dynamics (MD) simulations of liquid flow past a carbon nanotube (CNT) and a single graphene sheet. We apply a gravity driven liquid argon flow past a CNT in a small domain and show that the drag coefficients can be modeled as Stokes flow past an array of CNT's with an effective diameter. The effective diameter can be obtained from the radial density profile around the CNT. We also apply a uniform flow of liquid argon and SPC/E water past a graphene sheet and show that the drag coefficient and the velocity profile can be modeled using Navier-Stokes equation provided corrections are applied to the equation. The corrections are the effective shape of the graphene sheet, the slip velocity correction and the viscosity and density layering correction. The effective shape can be obtained from the density profile plot around graphene. We use a separable solution of the elliptical cylindrical Stokes equation as a physical model to determine the slip velocity at the boundary of the effective shape by extrapolation. The viscosity and density layering correction is determined by calculating the local average density around the graphene sheet and using a viscosity equation of state. By applying these corrections, we show that good agreement between computational fluid dynamics (CFD) and MD can be obtained. Using a very large domain, agreement is also obtained between an analytical expression of the drag coefficient on an ellipse in an unbounded uniform flow derived by matched asymptotic expansion and MD for the case of strong interaction between argon and carbon atoms. Agreement is obtained for high Reynolds number for the weak interaction case as well.","abstract_html":"We present nonequilibrium molecular dynamics (MD) simulations of liquid flow past a carbon nanotube (CNT) and a single graphene sheet. We apply a gravity driven liquid argon flow past a CNT in a small domain and show that the drag coefficients can be modeled as Stokes flow past an array of CNT's with an effective diameter. The effective diameter can be obtained from the radial density profile around the CNT. We also apply a uniform flow of liquid argon and SPC/E water past a graphene sheet and show that the drag coefficient and the velocity profile can be modeled using Navier-Stokes equation provided corrections are applied to the equation. The corrections are the effective shape of the graphene sheet, the slip velocity correction and the viscosity and density layering correction. The effective shape can be obtained from the density profile plot around graphene. We use a separable solution of the elliptical cylindrical Stokes equation as a physical model to determine the slip velocity at the boundary of the effective shape by extrapolation. The viscosity and density layering correction is determined by calculating the local average density around the graphene sheet and using a viscosity equation of state. By applying these corrections, we show that good agreement between computational fluid dynamics (CFD) and MD can be obtained. Using a very large domain, agreement is also obtained between an analytical expression of the drag coefficient on an ellipse in an unbounded uniform flow derived by matched asymptotic expansion and MD for the case of strong interaction between argon and carbon atoms. Agreement is obtained for high Reynolds number for the weak interaction case as well.","abstract_has_math":false,"creators":["Tan, Marcus Hwai Yik"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"M.S.","degree_level":"Thesis","degree_discipline":"Theoretical & Applied Mechans","degree_department":null,"school":null,"contributors":["Aluru, Narayana R."],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2013,"date_issued":"2013-08-22T16:56:40Z","date_published":"2013-08-22T16:56:40Z","updated_at":"2026-07-22T22:25:36Z","subjects":["slip velocity","Graphene","Cabon Nanotube (CNT)","drag","nanofluidics","correction","effective shape","viscosity layering","density layering","elliptical cylindrical","Stokes equation"],"languages":["en"],"rights":["Copyright 2013 Marcus Hwai Yik Tan"],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/2142/45649","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Aluru, Narayana R."]},{"key":"dc:creator","label":"Author","values":["Tan, Marcus Hwai Yik"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2013-08-22T16:56:40Z","2015-08-22T10:00:46Z","2013-08"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Theoretical & Applied Mechans"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Thesis"]},{"key":"thesis:degree_name","label":"Degree Name","values":["M.S."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["slip velocity","Graphene","Cabon Nanotube (CNT)","drag","nanofluidics","correction","effective shape","viscosity layering","density layering","elliptical cylindrical","Stokes equation"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["en"]},{"key":"dc:rights","label":"Dc Rights","values":["Copyright 2013 Marcus Hwai Yik Tan"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/45649"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["We present nonequilibrium molecular dynamics (MD) simulations of liquid flow past a carbon nanotube (CNT) and a single graphene sheet. We apply a gravity driven liquid argon flow past a CNT in a small domain and show that the drag coefficients can be modeled as Stokes flow past an array of CNT's with an effective diameter. The effective diameter can be obtained from the radial density profile around the CNT. We also apply a uniform flow of liquid argon and SPC/E water past a graphene sheet and show that the drag coefficient and the velocity profile can be modeled using Navier-Stokes equation provided corrections are applied to the equation. The corrections are the effective shape of the graphene sheet, the slip velocity correction and the viscosity and density layering correction. The effective shape can be obtained from the density profile plot around graphene. We use a separable solution of the elliptical cylindrical Stokes equation as a physical model to determine the slip velocity at the boundary of the effective shape by extrapolation. The viscosity and density layering correction is determined by calculating the local average density around the graphene sheet and using a viscosity equation of state. By applying these corrections, we show that good agreement between computational fluid dynamics (CFD) and MD can be obtained. Using a very large domain, agreement is also obtained between an analytical expression of the drag coefficient on an ellipse in an unbounded uniform flow derived by matched asymptotic expansion and MD for the case of strong interaction between argon and carbon atoms. Agreement is obtained for high Reynolds number for the weak interaction case as well.","Item withdrawn by Mark Zulauf (zulauf@illinois.edu) on 2013-07-16T17:42:46Z Item was in collections: University of Illinois Theses & Dissertations (ID: 1) No. of bitstreams: 1 Tan_Marcus Hwai Yik.pdf: 747068 bytes, checksum: c97223158623bced45310a1dd1415146 (MD5)","Made available in DSpace on 2013-08-22T16:56:40Z (GMT). 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We apply a gravity driven liquid argon flow past a CNT in a small domain and show that the drag coefficients can be modeled as Stokes flow past an array of CNT's with an effective diameter. The effective diameter can be obtained from the radial density profile around the CNT. We also apply a uniform flow of liquid argon and SPC/E water past a graphene sheet and show that the drag coefficient and the velocity profile can be modeled using Navier-Stokes equation provided corrections are applied to the equation. The corrections are the effective shape of the graphene sheet, the slip velocity correction and the viscosity and density layering correction. The effective shape can be obtained from the density profile plot around graphene. We use a separable solution of the elliptical cylindrical Stokes equation as a physical model to determine the slip velocity at the boundary of the effective shape by extrapolation. The viscosity and density layering correction is determined by calculating the local average density around the graphene sheet and using a viscosity equation of state. By applying these corrections, we show that good agreement between computational fluid dynamics (CFD) and MD can be obtained. Using a very large domain, agreement is also obtained between an analytical expression of the drag coefficient on an ellipse in an unbounded uniform flow derived by matched asymptotic expansion and MD for the case of strong interaction between argon and carbon atoms. Agreement is obtained for high Reynolds number for the weak interaction case as well.","Item withdrawn by Mark Zulauf (zulauf@illinois.edu) on 2013-07-16T17:42:46Z Item was in collections: University of Illinois Theses & Dissertations (ID: 1) No. of bitstreams: 1 Tan_Marcus Hwai Yik.pdf: 747068 bytes, checksum: c97223158623bced45310a1dd1415146 (MD5)","Made available in DSpace on 2013-08-22T16:56:40Z (GMT). No. of bitstreams: 2 Marcus Hwai Yik_Tan.pdf: 747068 bytes, checksum: c97223158623bced45310a1dd1415146 (MD5) license.txt: 4066 bytes, checksum: 54ba5301112299ef1faeb3dda4ca26c1 (MD5)","Item marked as restricted to the 'Administrator' Group (id=1) by Seth Robbins (srobbins@illinois.edu) on 2013-08-22T16:57:37Z Item is restricted until 2015-08-22T16:57:26Z","Restriction data tranferred 2014-07-01T11:36:30-05:00 Original Data Group with Access Administrator Release Date: 2015-08-22 11:57:26 UTC Reason: Author requested closed access (OA after 2yrs) in Vireo ETD system","Limited Restriction Lifted for Item 45631 on 2015-08-22T10:00:46Z."],"dc:identifier":["http://hdl.handle.net/2142/45649"],"dc:language":["en"],"dc:rights":["Copyright 2013 Marcus Hwai Yik Tan"],"dc:subject":["slip velocity","Graphene","Cabon Nanotube (CNT)","drag","nanofluidics","correction","effective shape","viscosity layering","density layering","elliptical cylindrical","Stokes equation"],"dc:title":["Liquid flow past nanoscale objects"],"dc:type":["text"],"thesis:degree_discipline":["Theoretical & Applied Mechans"],"thesis:degree_level":["Thesis"],"thesis:degree_name":["M.S."],"thesis:institution_name":["University of Illinois at Urbana-Champaign"]},"updated_at":"2026-07-22T22:25:36Z"}