Imperial College London
Alternate

Professor Erich A. Muller

Faculty of Engineering, Department of Chemical Engineering

Professor of Thermodynamics
 
 
 
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Contact

 

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

 
 
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Assistant

 

Mrs Raluca Reynolds +44 (0)20 7594 5557

 
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Location

 

409ACE ExtensionSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Smith:2016:10.1039/c6sm01980c,
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 = {http://dx.doi.org/10.1039/c6sm01980c},
volume = {12},
year = {2016}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
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  - http://dx.doi.org/10.1039/c6sm01980c
UR  - http://www.ncbi.nlm.nih.gov/pubmed/27853798
UR  - http://hdl.handle.net/10044/1/43099
VL  - 12
ER  -
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