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
相关论文
共 24 条
[11]   ROLE OF MOLECULAR-STRUCTURE ON THE THERMODYNAMIC PROPERTIES OF MELTS, BLENDS, AND CONCENTRATED POLYMER-SOLUTIONS - COMPARISON OF MONTE-CARLO SIMULATIONS WITH THE CLUSTER THEORY FOR THE LATTICE MODEL [J].
DUDOWICZ, J ;
FREED, KF ;
MADDEN, WG .
MACROMOLECULES, 1990, 23 (22) :4803-4819
[12]   INFLUENCE OF COMPRESSIBILITY AND MONOMER STRUCTURE ON SMALL-ANGLE NEUTRON-SCATTERING FROM BINARY POLYMER BLENDS [J].
DUDOWICZ, J ;
FREED, KF .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (12) :9147-9156
[13]   EFFECT OF MONOMER STRUCTURE AND COMPRESSIBILITY ON THE PROPERTIES OF MULTICOMPONENT POLYMER BLENDS AND SOLUTIONS .1. LATTICE CLUSTER THEORY OF COMPRESSIBLE SYSTEMS [J].
DUDOWICZ, J ;
FREED, KF .
MACROMOLECULES, 1991, 24 (18) :5076-5095
[14]   EFFECT OF MONOMER STRUCTURE AND COMPRESSIBILITY ON THE PROPERTIES OF MULTICOMPONENT POLYMER BLENDS AND SOLUTIONS .3. APPLICATION TO PS(D) PVME BLENDS [J].
DUDOWICZ, J ;
FREED, KF .
MACROMOLECULES, 1991, 24 (18) :5112-5123
[15]   CORRELATION LENGTHS AND CHAIN SIZES IN PS PVME BLENDS - INFLUENCE OF COMPRESSIBILITY, INTERACTIONS, AND MONOMER STRUCTURES [J].
DUDOWICZ, J ;
FREED, KF .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (02) :1644-1647
[16]  
Flory P. J., 1953, PRINCIPLES POLYM CHE
[17]   ON THE LARGE ENTROPIC CONTRIBUTION TO THE EFFECTIVE INTERACTION PARAMETER OF POLYSTYRENE-POLY(METHYL METHACRYLATE) DIBLOCK COPOLYMER SYSTEMS [J].
FREED, KF ;
DUDOWICZ, J .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (03) :2105-2109
[18]   G-INTERACTION PARAMETER OF POLYMER SOLVENT SYSTEMS [J].
MASEGOSA, RM ;
PROLONGO, MG ;
HORTA, A .
MACROMOLECULES, 1986, 19 (05) :1478-1486
[19]   ENTROPY, PRESSURE, AND CHEMICAL-POTENTIAL OF MULTIPLE CHAIN SYSTEMS FROM COMPUTER-SIMULATION .1. APPLICATION OF THE SCANNING METHOD [J].
MEIROVITCH, H .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (08) :5803-5815
[20]   LATTICE MODELS OF POLYMER-SOLUTIONS - MONOMERS OCCUPYING SEVERAL LATTICE SITES [J].
NEMIROVSKY, AM ;
BAWENDI, MG ;
FREED, KF .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (12) :7272-7284