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

被引:11
作者
LI, W
FREED, KF
NEMIROVSKY, AM
机构
[1] UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
[2] UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
[3] UNIV BARCELONA,FAC FIS,DEPT ESTRUCTURA & CONSTITUENTS MAT,E-08028 BARCELONA,SPAIN
关键词
D O I
10.1063/1.464506
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 lattice cluster theory developed by Freed and co-workers for systems composed 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 illustrate 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 cluster expansion.
引用
收藏
页码:8469 / 8483
页数:15
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