Imperial College London

Professor Erich A. Muller

Faculty of EngineeringDepartment of Chemical Engineering

Professor of Thermodynamics
 
 
 
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Contact

 

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

 
 
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Assistant

 

Miss Raluca Leonte +44 (0)20 7594 5557

 
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Location

 

409ACE ExtensionSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Wu:2018:10.1063/1.5020002,
author = {Wu, L and Malijevsky, A and Avendano, C and Muller, E and Jackson, G},
doi = {10.1063/1.5020002},
journal = {Journal of Chemical Physics},
title = {Demixing, surface nematization, and competing adsorption in binarymixtures of hard rods and hard spheres under confinement},
url = {http://dx.doi.org/10.1063/1.5020002},
volume = {148},
year = {2018}
}

RIS format (EndNote, RefMan)

TY  - JOUR
AB - A molecular simulation study of binary mixtures of hard spherocylinders (HSCs) and hard spheres (HSs)confined between two structureless hard walls is presented. The principal aim of the work is to understandthe effect of the presence of hard spheres on the entropically-driven surface nematization of the hard rod-likeparticles at the walls. The mixtures are studied using a constant normal-pressure Monte Carlo algorithm.The surface adsorption at different compositions of hard spheres is examined in detail. At moderate hard-sphere concentrations preferential adsorption of the spheres at the wall is found. However, at moderate tohigh pressure (density), we observe a crossover in the adsorption behaviour with nematic layers of the rodsforming at the walls leading to a local demixing of the system. The presence of the spherical particles is seento destabilize the surface nematization of the rods, and the degree of demixing increases on increasing the HSconcentration.
AU - Wu,L
AU - Malijevsky,A
AU - Avendano,C
AU - Muller,E
AU - Jackson,G
DO - 10.1063/1.5020002
PY - 2018///
SN - 0021-9606
TI - Demixing, surface nematization, and competing adsorption in binarymixtures of hard rods and hard spheres under confinement
T2 - Journal of Chemical Physics
UR - http://dx.doi.org/10.1063/1.5020002
UR - http://hdl.handle.net/10044/1/58485
VL - 148
ER -