Primitive path networks generated by annealing and geometrical methods:: Insights into differences

被引:205
作者
Shanbhag, Sachin [1 ]
Kroeger, Martin
机构
[1] Florida State Univ, Dirac Sci Lib, Sch Computat Sci, Tallahassee, FL 32306 USA
[2] FAMU FSU Coll Engn, Dept Chem & Biomed Engn, Tallahassee, FL USA
[3] ETH, Dept Mat Sci, CH-8093 Zurich, Switzerland
关键词
D O I
10.1021/ma062457k
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Existing methods to obtain the primitive path network for monodisperse, linear polymers in the molten state are critically compared. A connection is established between the original "annealing" and newer geometrical approaches. A discrepancy of about 15% is observed in the mean primitive path length obtained by these methods for well-entangled polymers. This deviation is attributed to disentanglement that occurs during annealing. A number of well-equilibrated polymeric systems and some toy-configurations (rings) were studied to estimate the relative contributions of slip and constraint release by end-looping to the observed disentanglement. We found that about half (approximate to 7.7%) of the discrepancy persists for ring polymers in which end-looping is not possible, and may be attributed to slip alone. It is argued that the characteristics of the network obtained by annealing become practically equivalent to those obtained by geometrical methods in the asymptotic limit of small chain diameter and rapid quenching.
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收藏
页码:2897 / 2903
页数:7
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