Size of the Dynamic Bead in Polymers

被引:20
作者
Agapov, A. [1 ,2 ,3 ,4 ]
Sokolov, A. P. [1 ,2 ,3 ]
机构
[1] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA
[2] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA
[3] ORNL, Div Chem Sci, Oak Ridge, TN 37830 USA
[4] Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA
关键词
NEUTRON SPIN-ECHO; DILUTE-SOLUTION; AB-INITIO; VISCOSITY DEPENDENCE; INTERNAL VISCOSITY; CHAIN DYNAMICS; LOCAL DYNAMICS; POLYETHYLENE; POLYISOBUTYLENE; POLYSTYRENE;
D O I
10.1021/ma101222y
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Presented analysis of neutron, mechanical, and MD simulation data available in the literature demonstrates that the dynamic bead size (the smallest subchain that still exhibits the Rouse-like dynamics) in most of the polymers is significantly larger than the traditionally defined Kuhn segment. Moreover, our analysis emphasizes that even the static bead size (e.g., chain statistics) disagrees with the Kuhn segment length. We demonstrate that the deficiency of the Kuhn segment definition is based on the assumption of a chain being completely extended inside a single bead. The analysis suggests that representation of a real polymer chain by the bead-and-spring model with a single parameter C-infinity cannot be correct. One needs more parameters to reflect correctly details of the chain structure in the bead-and-spring model.
引用
收藏
页码:9126 / 9130
页数:5
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