Aggregation of poly(p-phenylene terephthalamide) chains: Emergence of fiber defects

被引：7
|
作者：
Mogurampelly, Santosh [1 ,2 ]
MacDermaid, Christopher M. [1 ,2 ,3 ]
Percec, Simona [1 ,2 ]
Klein, Michael L. [1 ,2 ]
Fiorin, Giacomo [1 ,2 ]
机构：
[1] Inst Computat Mol Sci, 1925 North 12th St, Philadelphia, PA 19122 USA
[2] Temple Mat Inst, 1925 North 12th St, Philadelphia, PA 19122 USA
[3] 1250 South Collegeville Rd, Collegeville, PA 19426 USA
来源：
PHYSICAL REVIEW MATERIALS | 2019年 / 3卷 / 01期
基金：
美国国家科学基金会;
关键词：
ARAMID SOLUTIONS; ORIENTATIONAL ORDER; DEFORMATION; MODEL;
D O I：
10.1103/PhysRevMaterials.3.015602
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Some of the strongest polymer-based fibers are obtained by processing a nematic solution of poly-p-phenylene terephthalamide (PPTA) in concentrated acid. Molecular dynamics simulations reveal that the lateral density of PPTA chains in the acid solution is inhomogeneous on scales shorter than the persistence length. Hairpin turns, insertions, and other defects are stabilized by chain-chain contacts. These results suggest a mechanism of fiber assembly through coalescence of nanofibrils, and an explanation for the limited strength of PPTA fibers even at high crystallinity.
引用
收藏
页数：7
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