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 = {Jaeger, F and Matar, OK and Müller, EA},
title = {Transport properties of water confined in a graphene nanochannel},
url = {},
year = {2019}

RIS format (EndNote, RefMan)

AB - Equilibrium molecular dynamics simulations are used to investigate the effectof phase transitions on the transport properties of highly-confined waterbetween parallel graphene sheets. An abrupt reduction by several orders ofmagnitude in the mobility of water is observed in strong confinement, asindicated by reduced diffusivity and increased shear viscosity values. The bulkviscosity, which is related to the resistance to expansion and compression of asubstance, is also calculated, showing an enhancement compared to the bulkvalue for all levels of confinement. An investigation into the phase behaviourof confined water reveals a transition from a liquid monolayer to a rhombicfrozen monolayer at nanochannel heights between 6.8-7.8 \r{A}; for largerseparations, multilayer liquid water is recovered. It is shown how this phasetransition is at the root of the impeded transport.
AU - Jaeger,F
AU - Matar,OK
AU - Müller,EA
PY - 2019///
TI - Transport properties of water confined in a graphene nanochannel
UR -
UR -
ER -