Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 134, Issue 20, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3587137
Keywords
-
Funding
- Alexander von Humboldt Foundation
- Ministry of Education, Science and Technology [2010-0007886]
- Multiscale Materials Modeling (MMM) initiative of the Max Planck Society
- Sandia National Laboratories
- United States Department of Energy [DE-AC04-94AL85000]
- National Research Foundation of Korea [2010-0007886] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
Ask authors/readers for more resources
Molecular dynamics simulations were conducted to investigate the structural properties of melts of nonconcatenated ring polymers and compared to melts of linear polymers. The longest rings were composed of N = 1600 monomers per chain which corresponds to roughly 57 entanglement lengths for comparable linear polymers. For the rings, the radius of gyration squared, < R-g(2)>, was found to scale as N-4/5 for an intermediate regime and N-2/3 for the larger rings indicating an overall conformation of a crumpled globule. However, almost all beads of the rings are surface beads interacting with beads of other rings, a result also in agreement with a primitive path analysis performed in the next paper [J. D. Halverson, W. Lee, G. S. Grest, A. Y. Grosberg, and K. Kremer, J. Chem. Phys. 134, 204905 (2011)]. Details of the internal conformational properties of the ring and linear polymers as well as their packing are analyzed and compared to current theoretical models. (C) 2011 American Institute of Physics. [doi:10.1063/1.3587137]
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available