PACKING ENTROPY OF EXTENDED, HARD, RIGID OBJECTS ON A LATTICE

Citation
W. Li et al., PACKING ENTROPY OF EXTENDED, HARD, RIGID OBJECTS ON A LATTICE, The Journal of chemical physics, 98(11), 1993, pp. 8469-8483
Citations number
24
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
98
Issue
11
Year of publication
1993
Pages
8469 - 8483
Database
ISI
SICI code
0021-9606(1993)98:11<8469:PEOEHR>2.0.ZU;2-I
Abstract
We present a systematic method of evaluating the packing entropy for a set of mutually avoiding extended, hard, rigid objects on a lattice. The method generalizes a simple algebraic representation of the lattic e cluster theory developed by Freed and co-workers for systems compose d of flexible objects. The theory provides a power series expansion in z-1 for the corrections to the zeroth order mean field approximation partition function, where z is the lattice coordination number. We ill ustrate the general theory by calculating the packing entropy of four- unit rigid ''square'' objects on a hypercubic lattice as a function of the volume fraction of the squares. As a particular limiting case, we also evaluate for the packing entropy of two, three, and four squares on a two-dimensional square lattice and find agreement with the clust er expansion.