Investigations of static properties of two-dimensional bulk polymer systems
The static properties of two dimensional excluded volume continuum multichain systems are investigated by a ''reptation'' Monte Carlo algorithm. All beads interact via a repulsive (shifted) Lennard-Jones potential. In addition, nearest neighbors along chains are linked by a quasiharmonic potential which permits limited pair extensions. Chain lengths of 5, 10, 20, 32, 50, and 70 beads have been studied. Studies at densities of 0.1, 0.3, and 0.5 demonstrate that chain dimensions are compressed as the concentration is increased. Both the mean square end-to-end distance , and the mean square radius of gyration have a power law dependence upon l-1, the number of bonds, with exponent approximately 1.44 for rho = 0.1, 1.33 for rho = 0.3, and 1.20 for rho = 0.5. The asphericity ratios indicate the extent of compression as the density is increased. In addition, nonexcluded volume chains are studied via straightforward Monte Carlo integration. and have a power law dependence upon l-1 with exponent 1.00.
- Research Organization:
- Division of Science and Mathematics, Fordham University at Lincoln Center, New York, New York 10023
- OSTI ID:
- 6245090
- Journal Information:
- J. Chem. Phys.; (United States), Vol. 75:11
- Country of Publication:
- United States
- Language:
- English
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