Molecular Simulation of Thermo-osmotic Slip

Raman Ganti, Yawei Liu, and Daan Frenkel
Phys. Rev. Lett. 119, 038002 – Published 21 July 2017
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Abstract

Thermo-osmotic slip—the flow induced by a thermal gradient along a surface—is a well-known phenomenon, but curiously there is a lack of robust molecular-simulation techniques to predict its magnitude. Here, we compare three different molecular-simulation techniques to compute the thermo-osmotic slip at a simple solid-fluid interface. Although we do not expect the different approaches to be in perfect agreement, we find that the differences are barely significant for a range of different physical conditions, suggesting that practical molecular simulations of thermo-osmotic slip are feasible.

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  • Received 7 January 2017

DOI:https://doi.org/10.1103/PhysRevLett.119.038002

© 2017 American Physical Society

Physics Subject Headings (PhySH)

Statistical Physics & ThermodynamicsInterdisciplinary PhysicsPolymers & Soft MatterFluid Dynamics

Authors & Affiliations

Raman Ganti1,*, Yawei Liu2, and Daan Frenkel1,†

  • 1Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom
  • 2Beijing University of Chemical Technology, Beijing 100029, People’s Republic of China

  • *Corresponding author. rg468@cam.ac.uk
  • df246@cam.ac.uk

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Issue

Vol. 119, Iss. 3 — 21 July 2017

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