화학공학소재연구정보센터
Journal of Chemical Physics, Vol.112, No.5, 2315-2318, 2000
Computer simulation of the chemical potential of binary Lennard-Jones mixtures
The chemical potentials of binary Lennard-Jones mixtures are calculated by means of the modified scaled particle Monte Carlo method (SP-MC) and using the conventional test particle procedure (TPI). Grand canonical Monte Carlo (GCMC) simulations are also performed as an independent verification of the SP-MC technique. The agreement of the SP-MC and GCMC results is very good.