Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/29938
Title: Comparing theory and simulation for thermo-osmosis
Authors: PROESMANS, Karel 
Frenkel, Daan
Issue Date: 2019
Publisher: AMER INST PHYSICS
Source: JOURNAL OF CHEMICAL PHYSICS, 151(12) (Art N° 124109)
Abstract: We report a numerical study of thermo-osmotic slip, i.e., the particle flux induced by a thermal gradient along a solid-fluid interface. To facilitate comparison with theory, we consider a model of an ideal but viscous gas. We compare three numerical routes to obtain the slip coefficient: (1) by using the Onsager reciprocity relations, (2) by using the appropriate Green-Kubo relation, and (3) via the excess enthalpy. The numerical results are found to be mutually consistent and to agree with the theoretical prediction based on the assumption that hydrodynamics and thermodynamics are locally valid.
Notes: [Proesmans, Karel] Hasselt Univ, B-3590 Diepenbeek, Belgium. [Frenkel, Daan] Univ Cambridge, Dept Chem, Lensfield Rd, Cambridge CB2 1EW, England.
Keywords: Chemistry, Physical; Physics, Atomic, Molecular & Chemical
Document URI: http://hdl.handle.net/1942/29938
ISSN: 0021-9606
e-ISSN: 1089-7690
DOI: 10.1063/1.5123164
ISI #: 000488830300050
Rights: Published under license by AIP Publishing
Category: A1
Type: Journal Contribution
Validations: ecoom 2020
Appears in Collections:Research publications

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