1 research outputs found
Monte Carlo study of one-dimensional confined fluids with Gay-Berne intermolecular potential
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