화학공학소재연구정보센터
Journal of Chemical Physics, Vol.116, No.13, 5825-5830, 2002
Test of the scaled particle theory for aligned hard spherocylinders using Monte Carlo simulation
We obtained the chemical potential of a system of parallel hard spherocylinders by calculating the insertion probability of the particle. As a technique to obtain the insertion probability, we used a gradual insertion method together with Monte Carlo simulation. The simulation results provide a test of the scaled particle theory, suggesting a better approximation of the equation-of-state of the nematic phase of aligned long hard spherocylinders compared to the original scaled particle theory.