Self-organization of amphiphilic block copolymers in the presence of water: A mesoscale simulation

被引：13

作者：

Komarov, Pavel V. ^{[1
,2
]}

Veselov, Igor N. ^{[2
]}

Khalatur, Pavel G. ^{[1
,3
]}

机构：

[1] Russian Acad Sci, AN Nesmeyanov Organoelement Cpds Inst, Moscow 119991, Russia

[2] Tver State Univ, Tver 170100, Russia

[3] Univ Ulm, Dept Adv Energy Related Nanomat, D-89069 Ulm, Germany

来源：

CHEMICAL PHYSICS LETTERS | 2014年 / 605卷

关键词：

POLYMER ELECTROLYTE MEMBRANES; ETHER KETONE) MEMBRANES; ATOMISTIC SIMULATIONS; NAFION MEMBRANE; DIBLOCK COPOLYMER; PROTON SOLVATION; MORPHOLOGY; TRANSPORT; HYDRATION; DYNAMICS;

D O I：

10.1016/j.cplett.2014.05.004

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：

Using dissipative particle dynamics, we analyze the suitability of amphiphilic diblock copolymers as a material for high-performance proton conducting membranes of fuel cells. It is shown that the topology of water channel network within hydrated block copolymer-based membranes can be controlled by varying the copolymer blocks length. In particular, our simulations predict the formation of bicontinuous cubic phases for hydrophilic, hydrophobic blocks, and water. The interfaces between microphase-separated subphases form triply periodic minimal surfaces. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：22 / 27

页数：6

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