A SMALL SYSTEM GRAND ENSEMBLE METHOD FOR THE STUDY OF HARD-PARTICLE SYSTEMS

Citation
G. Sotocampos et al., A SMALL SYSTEM GRAND ENSEMBLE METHOD FOR THE STUDY OF HARD-PARTICLE SYSTEMS, The Journal of chemical physics, 108(6), 1998, pp. 2563-2570
Citations number
19
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
108
Issue
6
Year of publication
1998
Pages
2563 - 2570
Database
ISI
SICI code
0021-9606(1998)108:6<2563:ASSGEM>2.0.ZU;2-#
Abstract
This paper introduces an alternative statistical geometrical method fo r the evaluation of the thermodynamic properties of hard-particle syst ems. We develop a general theory which allows one to express average q uantities in terms of geometrical ''measurables.'' The theory is teste d with the known exact results for the one-dimensional hard rod fluid. We also discuss the potential benefits of the theory in efficiently c alculating the chemical potential and pressure (using Monte Carlo meth ods) of dense hard-particle fluids in two and three dimensions. (C) 19 98 American Institute of Physics.