Published October 1, 1983
| Version v1
Journal article
Influence of attractions on the static and dynamic properties of simulated single and multichain systems
Creators
- 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