Ordering of hard particles between hard walls

CHRZANOWSKA, A., TEIXEIRA, P. I. C., EHRENTRAUT, H. and CLEAVER, D. J. (2001). Ordering of hard particles between hard walls. Journal of Physics - Condensed Matter, 13 (21), 4715-4726.

Full text not available from this repository.
Link to published version:: 10.1088/0953-8984/13/21/306

Abstract

The structure of a fluid of hard Gaussian overlap particles of elongation kappa = 5, confined between two hard walls, has been calculated from density-functional theory and Monte Carlo simulations. By using the exact expression for the-excluded Volume kernel (Velasco E and Mederos L 1998 J. Chem. Phys. 109 2361) and solving the appropriate Euler-Lagrange equation entirely numerically, we have been able to extend our theoretical predictions into the nematic phase, which had up till now remained relatively unexplored due to the high computational cost. Simulation reveals a rich adsorption behaviour with increasing bulk density, which is described semi-quantitatively by the theory without any adjustable parameters.

Item Type: Article
Research Institute, Centre or Group: Materials and Engineering Research Institute > Polymers Nanocomposites and Modelling Research Centre > Materials and Fluid Flow Modelling Group
Identification Number: 10.1088/0953-8984/13/21/306
Depositing User: Hilary Ridgway
Date Deposited: 12 Apr 2010 10:09
Last Modified: 29 Sep 2010 10:31
URI: http://shura.shu.ac.uk/id/eprint/1515

Actions (login required)

View Item

Downloads

Downloads per month over past year

View more statistics