Imperial College London

Professor Omar K. Matar, FREng

Faculty of EngineeringDepartment of Chemical Engineering

Vice-Dean (Education), Faculty of Engineering



+44 (0)20 7594 9618o.matar Website




Miss Nazma Mojid +44 (0)20 7594 3918




506ACE ExtensionSouth Kensington Campus






BibTex format

author = {Smith, ER and Theodorakis, PE and Craster, RV and Matar, OK},
doi = {10.1021/acs.langmuir.8b00466},
journal = {Langmuir},
pages = {12501--12518},
title = {Moving contact lines: linking molecular dynamics and continuum-scale modeling},
url = {},
volume = {34},
year = {2018}

RIS format (EndNote, RefMan)

AB - Despite decades of research, the modeling of moving contact lines has remained a formidable challenge in fluid dynamics whose resolution will impact numerous industrial, biological, and daily life applications. On the one hand, molecular dynamics (MD) simulation has the ability to provide unique insight into the microscopic details that determine the dynamic behavior of the contact line, which is not possible with either continuum-scale simulations or experiments. On the other hand, continuum-based models provide a link to the macroscopic description of the system. In this Feature Article, we explore the complex range of physical factors, including the presence of surfactants, which governs the contact line motion through MD simulations. We also discuss links between continuum- and molecular-scale modeling and highlight the opportunities for future developments in this area.
AU - Smith,ER
AU - Theodorakis,PE
AU - Craster,RV
AU - Matar,OK
DO - 10.1021/acs.langmuir.8b00466
EP - 12518
PY - 2018///
SN - 0743-7463
SP - 12501
TI - Moving contact lines: linking molecular dynamics and continuum-scale modeling
T2 - Langmuir
UR -
UR -
UR -
UR -
VL - 34
ER -