Molecular dynamics study of hydroxide ion diffusion in polymer electrolytes

Young C. Kim,Brian L. Chaloux,Debra R. Rolison,Michelle D. Johannes,Megan B. Sassin

Electrochemistry Communications（2022）

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摘要

•Computational models for poly(4-dimethylaminomethyl styrene) (pDMAMS) and copolymers comprising DMAMS and 4-butylstyrene are developed.•Glass transition temperature decreases with increasing 4-butylstyrene content.•Hydroxide ion diffusion increases three-fold at 75% 4-butylstyrene content.•Low hydration levels result in a moderate increase in hydroxide diffusion.

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关键词

pDMAMS,Molecular dynamics,Hydroxide ion,Polymer electrolytes,Diffusion,Glass transition

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