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We report a molecularly-augmented continuum-based computational model ofdynamic wetting and apply it to the displacement of an externally-driven liquidplug between two partially-wetted parallel plates. The results closely followthose obtained in a recent molecular-dynamics (MD) study of the same problemToledano (2021) which we use as a benchmark. We are able to interpret themaximum speed of dewetting $U^*_{\mathrm{crit}}$ as a fold bifurcation in thesteady phase diagram and show that its dependence on the true contact angle$\theta_{\mathrm{cl}}$ is quantitatively similar to that found using MD. A keyfeature of the model is that the contact angle is dependent on the speed of thecontact line, with $\theta_{\mathrm{cl}}$ emerging as part of the solution. Themodel enables us to study the formation of a thin film at dewetting speeds$U^*>U^*_{\mathrm{crit}}$ across a range of length scales, including those thatare computationally prohibitive to MD simulations. We show that the thicknessof the film scales linearly with the channel width and is only weakly dependenton the capillary number. This work provides a link between matched asymptotictechniques (valid for larger geometries) and MD simulations (valid for smallergeometries). In addition, we find that the apparent angle, the experimentallyvisible contact angle at the fold bifurcation, is not zero. This is in contrastto the prediction of conventional treatments based on the lubrication model offlow near the contact line, but consistent with experiment.

journal of fluid mechanics

Putting the micro into the macro: A molecularly-augmented hydrodynamic  model of dynamic wetting applied to flow instabilities during forced  dewetting