DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science

被引：20
|
作者：
Prochazka, Karel [1 ]
Limpouchova, Zuzana [1 ]
Stepanek, Miroslav [1 ]
Sindelka, Karel [2 ]
Lisal, Martin [2 ,3 ]
机构：
[1] Charles Univ Prague, Dept Phys & Macromol Chem, Fac Sci, Hlavova 8, Prague 12843, Czech Republic
[2] Czech Acad Sci, Inst Chem Proc Fundamentals, Dept Mol & Mesoscop Modelling, Rozvojova 135, Prague 16502, Czech Republic
[3] Jan Evangelista Purkyn Univ Usti Labem, Dept Phys, Fac Sci, Pasteurova 3632, Usti N Labem 40096, Czech Republic
来源：
POLYMERS | 2022年 / 14卷 / 03期
关键词：
polymer; polyelectrolyte; assembly; dissipative particle dynamics; DISSIPATIVE PARTICLE DYNAMICS; BLOCK-COPOLYMER MICELLES; ABC TRIBLOCK COPOLYMER; MIXED POLYELECTROLYTE/NONELECTROLYTE SHELLS; HYPERBRANCHED MULTIARM COPOLYMERS; COARSE-GRAINED SIMULATIONS; ACID) DIBLOCK COPOLYMERS; MONTE-CARLO-SIMULATION; HOLLOW-FIBER MEMBRANES; ONION-TYPE MICELLES;
D O I：
10.3390/polym14030404
中图分类号：
O63 [高分子化学（高聚物）];
学科分类号：
070305 ; 080501 ; 081704 ;
摘要：
This review article is addressed to a broad community of polymer scientists. We outline and analyse the fundamentals of the dissipative particle dynamics (DPD) simulation method from the point of view of polymer physics and review the articles on polymer systems published in approximately the last two decades, focusing on their impact on macromolecular science. Special attention is devoted to polymer and polyelectrolyte self- and co-assembly and self-organisation and to the problems connected with the implementation of explicit electrostatics in DPD numerical machinery. Critical analysis of the results of a number of successful DPD studies of complex polymer systems published recently documents the importance and suitability of this coarse-grained method for studying polymer systems.
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页数：34
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