Influence of the rigidity of the backbone and arms on the dynamical and conformational properties of the comb polymer in shear flow

被引:0
|
作者
Huang, Xinbiao [1 ]
Wen, Xiaohui [1 ]
Likos, Christos N. [2 ]
Wang, Deyin [3 ,4 ]
He, Linli [5 ]
Li, Hai [1 ]
Li, Rundong [1 ]
机构
[1] Chengdu Univ Technol, Coll Math & Phys, Chengdu 610059, Peoples R China
[2] Univ Vienna, Fac Phys, Boltzmanngasse 5, A-1090 Vienna, Austria
[3] Zhejiang Univ, Sch Phys, Hangzhou 310058, Zhejiang, Peoples R China
[4] Zhejiang Univ, Inst Quantitat Biol, Coll Life Sci, Hangzhou 310058, Zhejiang, Peoples R China
[5] Wenzhou Univ, Dept Phys, Wenzhou 325035, Zhejiang, Peoples R China
来源
JOURNAL OF CHEMICAL PHYSICS | 2024年 / 161卷 / 15期
基金
中国国家自然科学基金;
关键词
MULTIPARTICLE COLLISION DYNAMICS; MAIN-CHAIN RIGIDITY; MOLECULAR-DYNAMICS; RING POLYMERS; BRANCHED POLYMERS; LINEAR RHEOLOGY; STAR POLYMERS; RELAXATION; MELTS; DEFORMATION;
D O I
10.1063/5.0230750
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The dynamical and conformational properties of the comb polymer with various rigidities of the backbone and arms in steady shear flow are studied by using a hybrid mesoscale simulation approach that combines multiparticle collision dynamics with standard molecular dynamics. First, during the process of the comb polymer undergoing periodic tumbling motion, we find that the rigidity of the arms always promotes the tumbling motion of the comb polymer, but the rigidity of the backbone shifts from hindering to promoting it with increasing the rigidity of the arms. In addition, the comb polymer transitions from vorticity tumbling to gradient tumbling with the increase in shear rate. Second, the range of variation of the end-to-end distance of the backbone and the average end-to-end distance of the arms increases with the increase in the rigidity of the arms and backbone, respectively, and the range of both changes grows with the increase in shear rate. Furthermore, as the rigidity increases, the moldability of the comb polymer decreases and the orientation angle of the comb polymer increases.
引用
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页数:12
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