COMPUTER-SIMULATION OF POLYMERS IN THIN-LAYERS .1. POLYMER MELT BETWEEN NEUTRAL WALLS-STATIC PROPERTIES

被引:86
作者
PAKULA, T
机构
[1] Max-Planck-Institut für Polymerforschung, 6500 Mainz
关键词
D O I
10.1063/1.461738
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
Systems of linear chains on the face centered cubic lattice with all lattice sites occupied are simulated by the cooperative motion method. Static properties of chains are analyzed and various statistical models of chain shapes are presented, differing in details of individual chain states taken into account. The structure of thin layers of a polymer melt confined between two parallel neutral walls is compared with the melt structure in bulk. It is shown that the effect of neutral walls consists mainly in reorientation of cigar-shaped chains in the vicinity of walls, but not in changes of dimensions and shapes of chains.
引用
收藏
页码:4685 / 4690
页数:6
相关论文
共 14 条
[1]   MOLECULAR-DYNAMICS SIMULATIONS OF THE STRUCTURE AND DYNAMICS OF CONFINED POLYMER MELTS [J].
BITSANIS, I ;
HADZIIOANNOU, G .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (06) :3827-3847
[2]   MONTE-CARLO SIMULATION OF DENSE POLYMER SYSTEMS ON A LATTICE [J].
GEYLER, S ;
PAKULA, T ;
REITER, J .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (04) :2676-2680
[3]   THEORY OF INHOMOGENEOUS POLYMERS - LATTICE MODEL FOR SOLUTION INTERFACES [J].
HELFAND, E .
MACROMOLECULES, 1976, 9 (02) :307-310
[4]  
HERMANS JJ, 1948, RECL TRAV CHIM PAY B, V67, P761
[5]   OFF-LATTICE MONTE-CARLO SIMULATIONS OF POLYMER MELTS CONFINED BETWEEN 2 PLATES [J].
KUMAR, SK ;
VACATELLO, M ;
YOON, DY .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (08) :5206-5215
[6]   MONTE-CARLO STUDIES OF THE MELT VACUUM INTERFACE OF A LATTICE POLYMER [J].
MADDEN, WG .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (02) :1405-1422
[7]   INTERFACIAL STRUCTURE AND DYNAMICS OF MACROMOLECULAR LIQUIDS - A MONTE-CARLO SIMULATION APPROACH [J].
MANSFIELD, KF ;
THEODOROU, DN .
MACROMOLECULES, 1989, 22 (07) :3143-3152
[9]   STATISTICAL-THEORY OF THE ADSORPTION OF INTERACTING CHAIN MOLECULES .2. TRAIN, LOOP, AND TAIL SIZE DISTRIBUTION [J].
SCHEUTJENS, JMHM ;
FLEER, GJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (02) :178-190
[10]   STATISTICAL-THEORY OF THE ADSORPTION OF INTERACTING CHAIN MOLECULES .1. PARTITION-FUNCTION, SEGMENT DENSITY DISTRIBUTION, AND ADSORPTION-ISOTHERMS [J].
SCHEUTJENS, JMHM ;
FLEER, GJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (12) :1619-1635