Chain-scission degradation mechanisms during sulfonation of aromatic polymers for PEMFC applications

被引:8
|
作者
Hu, Yidong [1 ]
Yan, Liuming [2 ]
Yue, Baohua [2 ]
机构
[1] Shanghai Univ, Dept Phys, Coll Sci, 99 Shangda Rd, Shanghai 200444, Peoples R China
[2] Shanghai Univ, Dept Chem, Coll Sci, 99 Shangda Rd, Shanghai 200444, Peoples R China
基金
中国国家自然科学基金;
关键词
Proton exchange membrane; Sulfonation chain-scission mechanism; DFT; Transition state; Activation energy; ELECTROLYTE MEMBRANE; POST-SULFONATION; FUEL-CELLS; TEMPERATURE; POLYSULFONES; STABILITY; SULFONE);
D O I
10.1016/j.chemphys.2020.111049
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 direct sulfonation is a cheap process but introduces the valuable sulfonic acid groups onto the backbone of aromatic polymers for proton exchange membrane fuel cell applications. However, the chain-scission during sulfonation degrades the polymer backbone by cleavage of the linkages between the arylene rings. If the sulfonation is conducted at a relatively high temperature for long time, the degradation may be significant. In this paper, the chain-scission mechanisms of the typical aromatic polymers are studied in terms of transition states and activation energies using density functional theory calculations, and the improvement of the overall performances of sulfonated proton conducting materials is discussed.
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页数:7
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