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Multiscale perspective on wetting on switchable substrates: Mapping between microscopic and mesoscopic models

Moritz Stieneker1,2,*, Leon Topp3,*, Svetlana V. Gurevich1,2,4,†, and Andreas Heuer3,2,4,‡

  • 1University of Münster, Institute for Theoretical Physics, Wilhelm-Klemm-Str. 9, 48149 Münster, Germany
  • 2University of Münster, Center of Nonlinear Science (CeNoS), Corrensstr. 2, 48149 Münster, Germany
  • 3University of Münster, Institute for Physical Chemistry, Corrensstr. 28/30, 48149 Münster, Germany
  • 4University of Münster, Center for Multiscale Theory and Computation (CMTC), Corrensstr. 40, 48149 Münster, Germany

  • *These authors contributed equally to this work.
  • †gurevics@uni-muenster.de
  • ‡andheuer@uni-muenster.de
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Phys. Rev. Fluids 8, 013902 – Published 18 January, 2023

DOI: https://doi.org/10.1103/PhysRevFluids.8.013902

Abstract

To understand the nonequilibrium relaxation dynamics of a liquid droplet on a switchable substrate, the interplay of different length and timescales needs to be understood. We present a method to map the microscopic information from a molecular-dynamics simulation to a mesoscopic scale, reflected by a thin-film model. After a discussion of the mapping procedure, we first analyze the relaxation of a liquid droplet upon switching the wettability of the substrate. Furthermore, we show that a nearly identical mapping procedure can be used to describe two coalescing droplets. With our procedure we take a first step to extend the mapping from the equilibrium case to nonequilibrium wetting dynamics, thus allowing for quantitative multiscale analysis.

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Phys. Rev. Fluids 8, 013902– Published 18 January, 2023
  • Received 25 November 2021
  • Accepted 15 December 2022
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