Modeling and simulations for molecular scale hydrodynamics of the moving contact line in immiscible two-phase flows

Handle URI:
http://hdl.handle.net/10754/600260
Title:
Modeling and simulations for molecular scale hydrodynamics of the moving contact line in immiscible two-phase flows
Authors:
Qian, Tiezheng; Wu, Congmin; Lei, Siu Long; Wang, Xiao Ping; Sheng, Ping
Abstract:
This paper starts with an introduction to the Onsager principle of minimum energy dissipation which governs the optimal paths of deviation and restoration to equilibrium. Then there is a review of the variational approach to moving contact line hydrodynamics. To demonstrate the validity of our continuum hydrodynamic model, numerical results from model calculations and molecular dynamics simulations are presented for immiscible Couette and Poiseuille flows past homogeneous solid surfaces, with remarkable overall agreement. Our continuum model is also used to study the contact line motion on surfaces patterned with stripes of different contact angles (i.e. surfaces of varying wettability). Continuum calculations predict the stick-slip motion for contact lines moving along these patterned surfaces, in quantitative agreement with molecular dynamics simulation results. This periodic motion is tunable through pattern period (geometry) and contrast in wetting property (chemistry). The consequence of stick-slip contact line motion on energy dissipation is discussed. © 2009 IOP Publishing Ltd.
Citation:
Qian T, Wu C, Lei SL, Wang X-P, Sheng P (2009) Modeling and simulations for molecular scale hydrodynamics of the moving contact line in immiscible two-phase flows. J Phys: Condens Matter 21: 464119. Available: http://dx.doi.org/10.1088/0953-8984/21/46/464119.
Publisher:
IOP Publishing
Journal:
Journal of Physics: Condensed Matter
Issue Date:
29-Oct-2009
DOI:
10.1088/0953-8984/21/46/464119
PubMed ID:
21715883
Type:
Article
ISSN:
0953-8984; 1361-648X
Sponsors:
This work was supported by the Hong Kong RGC grants CA05/06. SC01 and HKUST 602007 and the Croucher Foundation Grant Z0138.
Appears in Collections:
Publications Acknowledging KAUST Support

Full metadata record

DC FieldValue Language
dc.contributor.authorQian, Tiezhengen
dc.contributor.authorWu, Congminen
dc.contributor.authorLei, Siu Longen
dc.contributor.authorWang, Xiao Pingen
dc.contributor.authorSheng, Pingen
dc.date.accessioned2016-02-28T08:00:12Zen
dc.date.available2016-02-28T08:00:12Zen
dc.date.issued2009-10-29en
dc.identifier.citationQian T, Wu C, Lei SL, Wang X-P, Sheng P (2009) Modeling and simulations for molecular scale hydrodynamics of the moving contact line in immiscible two-phase flows. J Phys: Condens Matter 21: 464119. Available: http://dx.doi.org/10.1088/0953-8984/21/46/464119.en
dc.identifier.issn0953-8984en
dc.identifier.issn1361-648Xen
dc.identifier.pmid21715883en
dc.identifier.doi10.1088/0953-8984/21/46/464119en
dc.identifier.urihttp://hdl.handle.net/10754/600260en
dc.description.abstractThis paper starts with an introduction to the Onsager principle of minimum energy dissipation which governs the optimal paths of deviation and restoration to equilibrium. Then there is a review of the variational approach to moving contact line hydrodynamics. To demonstrate the validity of our continuum hydrodynamic model, numerical results from model calculations and molecular dynamics simulations are presented for immiscible Couette and Poiseuille flows past homogeneous solid surfaces, with remarkable overall agreement. Our continuum model is also used to study the contact line motion on surfaces patterned with stripes of different contact angles (i.e. surfaces of varying wettability). Continuum calculations predict the stick-slip motion for contact lines moving along these patterned surfaces, in quantitative agreement with molecular dynamics simulation results. This periodic motion is tunable through pattern period (geometry) and contrast in wetting property (chemistry). The consequence of stick-slip contact line motion on energy dissipation is discussed. © 2009 IOP Publishing Ltd.en
dc.description.sponsorshipThis work was supported by the Hong Kong RGC grants CA05/06. SC01 and HKUST 602007 and the Croucher Foundation Grant Z0138.en
dc.publisherIOP Publishingen
dc.titleModeling and simulations for molecular scale hydrodynamics of the moving contact line in immiscible two-phase flowsen
dc.typeArticleen
dc.identifier.journalJournal of Physics: Condensed Matteren
dc.contributor.institutionDepartment of Mathematics, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kongen
dc.contributor.institutionDepartment of Physics, William Mong Institute of Nano Science and Technology, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kongen
kaust.authorQian, Tiezhengen
kaust.authorWang, Xiao-Pingen
kaust.grant.fundedcenterKAUST-HKUST Micro/Nanofluidic Joint Laboratoryen
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