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    Theoretical Study of Solvation Effect on Diffusion Coefficient of Li Ion in Propylene Carbonate

    Kentaro Doi1,2, Yuzuru Chikasako1, Satoyuki Kawano1,3

    FDMP-Fluid Dynamics & Materials Processing, Vol.11, No.1, pp. 1-26, 2015, DOI:10.3970/fdmp.2015.011.001

    Abstract Propylene carbonate (PC) and ethylene carbonate are known as good candidates of organic solvents to be used in Li-ion rechargeable batteries, since Li+ ions exhibit preferable charge-discharge characteristics with such solvents. On the other hand, polar solvents usually form solvation shells with solute ions, and cause a drastic reduction of ionic conductivity. Along these lines, there has been a curious question why the diffusion coefficient DLi of Li+ strongly depends on the salt concentration. In the present study, a theoretical model is developed on the basis of the Langevin equation in which the interactions between ions and… More >

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