화학공학소재연구정보센터
Journal of Chemical Physics, Vol.108, No.6, 2563-2570, 1998
A small system grand ensemble method for the study of hard-particle systems
This paper introduces an alternative statistical geometrical method for the evaluation of the thermodynamic properties of hard-particle systems. We develop a general theory which allows one to express average quantities in terms of geometrical "measurables." The theory is tested with the known exact results for the one-dimensional hard rod fluid. We also discuss the potential benefits of the theory in efficiently calculating the chemical potential and pressure (using Monte Carlo methods) of dense hard-particle fluids in two and three dimensions.