Published October 1, 1983 | Version v1
Journal article

Influence of attractions on the static and dynamic properties of simulated single and multichain systems

  • 1. Courant Institute of Mathematical Sciences, New York, New York 10012

Description

The influence of the attractive portion of the Lennard-Jones potential on the statics and dynamics of both single chain and multichain systems is investigated by reptation and molecular dynamics simulations. There is no significant effect at a reduced temperature of 10.0. At a temperature of 1.7 the single chain and multichain system at low densities (0.1) indicate that the attractions cause both the chains to be significantly more compact and a slowing of the time autocorrelation functions of the square of the end-to-end distance and radius of gyration. At a moderate density of 0.5, the attractions have almost no effect on the static structure, but they still influence the dynamic properties

Additional details

Publishing Information

Journal Title
J. Chem. Phys.
Journal Volume
79
Journal Issue
7
Series
J. Chem. Phys.
Journal Page Range
3500-3504
ISSN
0021-9606

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
15001424
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
COMPUTERIZED SIMULATION; LENNARD-JONES POTENTIAL; MOLECULAR MODELS; POLYMERS
Descriptors DEC
MATHEMATICAL MODELS; POTENTIALS; SIMULATION