Mesoscopic molecular dynamic simulation on the molecular self-assembly structure and mechanism of the polymer/surfactant compound system using as the turbulent drag-reduction additives

被引：0
|
作者：
Lyu Y.-D. [1 ]
Xu N. [1 ,2 ]
Liu Z.-L. [1 ]
机构：
[1] College of Chemical Engineering and Technology, Taiyuan University of Technology, Taiyuan
[2] Shanxi Coking Coal in Yuncheng Salt Refco Group Ltd., Yuncheng
来源：
Gao Xiao Hua Xue Gong Cheng Xue Bao/Journal of Chemical Engineering of Chinese Universities | 2022年 / 36卷 / 05期
关键词：
mechanism; mesoscale; molecular self-assembly; polymer and surfactant compound system; process energy conservation;
D O I：
10.3969/j.issn.1003-9015.2022.05.007
中图分类号：
学科分类号：
摘要：
The drag-reduction microstructure and mechanism of polymer/surfactant compound system were researched by means of coarse-grained molecular dynamics simulation. The self-assembly process, shear stability and shear break-up of polymer and surfactant molecular aggregation were analyzed from the molecular dynamics perspective. The results showed that the self-assembly aggregation structure of polymer and surfactant molecules changed from the spherical-bead necklace, the barrel-shaped-bead necklace to the reinforced concrete with increasing concentration. Moreover, it was found that the self-assembly between polymer and surfactant molecules in the compound solution was the essential reason that the drag-reduction performance of the compound solution was better than that of the single system of polymer and surfactant. Consequently, the compound with strong interaction between polymer and surfactant molecules is more suitable to be used as the turbulent drag-reduction additives. © 2022 Zhejiang University. All rights reserved.
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页码：665 / 674
页数：9
相关论文
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