Title:
Monte Carlo studies on the long time dynamic properties of dense cubic lattice multichain systems. I. The homopolymeric melt
Monte Carlo studies on the long time dynamic properties of dense cubic lattice multichain systems. I. The homopolymeric melt
dc.contributor.author | Kolinski, Andrzej | |
dc.contributor.author | Skolnick, Jeffrey | |
dc.contributor.author | Yaris, Robert | |
dc.contributor.corporatename | Washington University (Saint Louis, Mo.). Institute of Macromolecular Chemistry | |
dc.contributor.corporatename | Washington University (Saint Louis, Mo.). Dept. of Chemistry | |
dc.date.accessioned | 2009-01-30T20:30:28Z | |
dc.date.available | 2009-01-30T20:30:28Z | |
dc.date.issued | 1987-06-15 | |
dc.description | ©1987 American Institute of Physics | en |
dc.description | The electronic version of this article is the complete one and can be found online at: http://link.aip.org/link/?JCPSA6/86/7164/1 | |
dc.description | DOI:10.1063/1.452366 | |
dc.description.abstract | Dynamic Monte Carlo simulations of long chains confined to a cubic lattice system at a polymer volume fraction of φ =0.5 were employed to investigate the dynamics of polymer melts. It is shown that in the range of chain lengths n, from n=64 to n=800 there is a crossover from a weaker dependence of the diffusion coefficient on chain length to a much stronger one, consistent with D~n⁻². Since the n⁻² scaling relation signals the onset of highly constrained dynamics, an analysis of the character of the chain contour motion was performed. We found no evidence for the well-defined tube required by the reptation model of polymer melt dynamics. The lateral motions of the chain contour are still large even in the case when n=800, and the motion of the chain is essentially isotropic in the local coordinates. Hence, the crossover to the D~ n⁻² regime with increasing chain length of this monodisperse model melt is not accompanied by the onset of reptation dynamics. | en |
dc.identifier.citation | Journal of Chemical Physics, 1987:86: 7164-7173 | |
dc.identifier.issn | 0021-9606 | |
dc.identifier.uri | http://hdl.handle.net/1853/26884 | |
dc.language.iso | en_US | en |
dc.publisher | Georgia Institute of Technology | |
dc.publisher.original | American Institute of Physics | |
dc.subject | Polymers | |
dc.subject | Melts | |
dc.subject | Liquid structure | |
dc.subject | Computerized simulation | |
dc.subject | Monte Carlo method | |
dc.subject | Dynamics | |
dc.subject | Chains | |
dc.title | Monte Carlo studies on the long time dynamic properties of dense cubic lattice multichain systems. I. The homopolymeric melt | en |
dc.title.alternative | The homopolymeric melt | |
dc.type | Text | |
dc.type.genre | Article | |
dspace.entity.type | Publication | |
local.contributor.author | Skolnick, Jeffrey | |
local.contributor.corporatename | College of Sciences | |
local.contributor.corporatename | School of Biological Sciences | |
local.contributor.corporatename | Center for the Study of Systems Biology | |
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