Molecular Simulation of Thermo-osmotic Slip
R Ganti and YW Liu and D Frenkel, PHYSICAL REVIEW LETTERS, 119, 038002 (2017).
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 thermoosmotic 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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