Pu Weihua, He Xiangming, Lu Jiufang, Jiang Changyin, Wan Chunrong
Institute of Nuclear & New Energy Technology, Tsinghua University, Beijing 100084, People's Republic of China.
J Chem Phys. 2005 Dec 15;123(23):231105. doi: 10.1063/1.2149849.
A method is proposed to calculate molar conductivity based on mode coupling theory in which the ion transference number is introduced into the theory. The molar conductivities of LiPF6, LiClO4, LiBF4, LiAsF6 in PC (propylene carbonate) are calculated based on this method. The results fit well to the literature data. This presents a potential way to calculate the conductivities of Li-ion battery electrolytes.
提出了一种基于模式耦合理论计算摩尔电导率的方法，该理论引入了离子迁移数。基于此方法计算了碳酸丙烯酯（PC）中LiPF6、LiClO4、LiBF4、LiAsF6的摩尔电导率。结果与文献数据吻合良好。这为计算锂离子电池电解质的电导率提供了一种潜在方法。
