Modeling of rheological behavior for polymer nanocomposites via Brownian dynamic simulation

被引：2
|
作者：
Seong, Dong Gi [1 ]
Youn, Jae Ryoun [2 ]
Song, Young Seok [3 ]
机构：
[1] Korea Inst Mat Sci, Composites Res Div, Chang Won 51508, South Korea
[2] Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 08826, South Korea
[3] Dankook Univ, Dept Fiber Syst Engn, Gyeonggi Do 16890, South Korea
来源：
KOREA-AUSTRALIA RHEOLOGY JOURNAL | 2016年 / 28卷 / 04期
关键词：
nanocomposite; reptation model; Brownian dynamics simulation; rheological properties; ADMISSIBLE REPTATION MODEL; ENTANGLED POLYMERS; FAST FLOWS; PREDICTIONS; RELAXATION; CHAIN;
D O I：
10.1007/s13367-016-0036-1
中图分类号：
O3 [力学];
学科分类号：
08 ; 0801 ;
摘要：
Reptation dynamics of the coarse-grained polymer molecular chain is investigated to predict rheological behavior of polymeric nanocomposites by applying Brownian dynamics simulation to the proposed full chain reptation model. Extensibility of polymer chain and constraint release from chain stretch or retraction are of main concern in describing the nanocomposite systems. Rheological results are well predicted by applying the improved simulation algorithm using stepwise Wiener processes. Strong shear thinning and elongational strain hardening are predicted and compared with the experimental results of polyamide 6/organoclay nanocomposites. The full chain reptation model enables us to predict dynamic motion of the polymer chain segments and understand mechanisms for characteristic rheological behaviors.
引用
收藏
页码：381 / 388
页数：8
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