Monte Carlo study of one-dimensional confined fluids with Gay-Berne intermolecular potential
Department of Physics, College of SciencesShiraz University,
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Received in final form: 27 July 2011
Published online: 10 November 2011
The thermodynamic quantities of a one dimensional system of particles with Gay-Berne model potential confined between walls have been obtained by means of Monte Carlo computer simulations. For a number of temperatures, the systems were considered and their density profiles, order parameter, pressure, configurational temperature and average potential energy per particle are reported. The results show that by decreasing the temperature, the soft particles become more ordered and they align to the walls and also they don’t show any tendency to be near the walls at very low temperatures. We have also changed the structure of the walls by embedding soft ellipses in them, this change increases the total density near the wall whereas, increasing or decreasing the order parameter depend on the angle of embedded ellipses.
© EDP Sciences, Società Italiana di Fisica and Springer-Verlag, 2011