Imperial College London

Professor Erich A. Muller

Faculty of EngineeringDepartment of Chemical Engineering

Professor of Thermodynamics



+44 (0)20 7594 1569e.muller Website




Miss Raluca Leonte +44 (0)20 7594 5557




409ACE ExtensionSouth Kensington Campus






BibTex format

author = {Smith, ER and Müller, EA and Craster, RV and Matar, OK},
doi = {10.1039/c6sm01980c},
journal = {Soft Matter},
pages = {9604--9615},
title = {A Langevin model for fluctuating contact angle behaviour parametrised using molecular dynamics},
url = {},
volume = {12},
year = {2016}

RIS format (EndNote, RefMan)

AB - Molecular dynamics simulations are employed to develop a theoretical model to predict the fluid-solid contact angle as a function of wall-sliding speed incorporating thermal fluctuations. A liquid bridge between counter-sliding walls is studied, with liquid-vapour interface-tracking, to explore the impact of wall-sliding speed on contact angle. The behaviour of the macroscopic contact angle varies linearly over a range of capillary numbers beyond which the liquid bridge pinches off, a behaviour supported by experimental results. Nonetheless, the liquid bridge provides an ideal test case to study molecular scale thermal fluctuations, which are shown to be well described by Gaussian distributions. A Langevin model for contact angle is parametrised to incorporate the mean, fluctuation and auto-correlations over a range of sliding speeds and temperatures. The resulting equations can be used as a proxy for the fully-detailed molecular dynamics simulation allowing them to be integrated within a continuum-scale solver.
AU - Smith,ER
AU - Müller,EA
AU - Craster,RV
AU - Matar,OK
DO - 10.1039/c6sm01980c
EP - 9615
PY - 2016///
SN - 1744-6848
SP - 9604
TI - A Langevin model for fluctuating contact angle behaviour parametrised using molecular dynamics
T2 - Soft Matter
UR -
UR -
UR -
VL - 12
ER -