Ionic limiting molar conductivity calculation of Li-ion battery electrolyte based on mode coupling theory

Xiangming He; Weihua Pu; Jingli Han; Jian Chen; Jiufang Lu; Changyin Jiang; Chunrong Wan

doi:10.1021/jp055233x

Ionic limiting molar conductivity calculation of Li-ion battery electrolyte based on mode coupling theory

J Phys Chem B. 2005 Dec 15;109(49):23141-4. doi: 10.1021/jp055233x.

Authors

Xiangming He¹, Weihua Pu, Jingli Han, Jian Chen, Jiufang Lu, Changyin Jiang, Chunrong Wan

Affiliation

¹ Institute of Nuclear & New Energy Technology, Tsinghua University, Beijing 100084, PR China. hexm@tsinghua.edu.cn

PMID: 16375275
DOI: 10.1021/jp055233x

Abstract

A method is proposed based on mode coupling theory in which the ion transference number is introduced into the theory. The ionic limiting molar conductivities of LiPF6, LiClO4, LiBF4, LiCF3SO3, Li(CF3SO3)2N, LiC4F9SO3, and LiAsF6 in PC(propylene carbonate), GBL(gamma-butyrolactone), PC(propylene carbonate)/EMC(ethylmethyl carbonate), and PC(propylene carbonate)/DME(dimethoxyethane) are calculated based on this method, which does not involve any adjustable parameter. The results fit well to the literature data which are calculated by an empirically adjusted formula. This presents a potential way to calculate the conductivities of Li-ion battery electrolytes.