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首页> 外文期刊>Russian journal of electrochemistry >Computer simulation of positive electrode operation in lithium-ion battery: Optimization of active mass composition
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Computer simulation of positive electrode operation in lithium-ion battery: Optimization of active mass composition

机译：锂离子电池正极运行的计算机模拟：活性物质组成的优化

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The work of the positive electrode (cathode) of a lithium-ion battery is simulated. The model of equally sized grains of three types: the intercalating agent grains with a volume fraction g, the electrolyte grains with a volume fraction gi, and the carbon black grains with a volume fraction ge is studied. The optimal composition of cathode active mass providing maximum specific capacity of cathode is determined. It is shown that a fraction of carbon black grains should be as small as possible: g_e = 0.35. The variation in the frac- tion of intercalating agent grains within the allowable limits (0≤g≤0.3) changes the main parameters of cath- ode active mass: a fraction of electrochemically active intercalating agent grains g~* (g~* < g); a specific surface area S, on which the electrochemical process proceeds; and the conductivity k~* by lithium ions in the ionic percolation cluster, which forms in the cathode active mass. The parameters g~* and S decrease and parameter k~* steeply increases with decreasing g. Therefore, in the range of possible values of g, specific capacity of cat- hode reaches the maximum value at g = g opt. The value of g opt is determined under the galvanostatic mode of cathode discharge. The cathode working parameters: The active layer thickness, discharge time, specific capacity, and potential at the cathode active layer/interelectrode space interface at the instant of discharge completion are calculated in relation to a fraction of intercalating agent grains g.
机译：模拟了锂离子电池的正极（阴极）的工作。研究了三种类型的等尺寸晶粒的模型：体积分数为g的插层剂晶粒，体积分数为gi的电解质晶粒和体积分数为ge的炭黑晶粒。确定提供最大阴极比容量的阴极活性物质的最佳组成。结果表明，炭黑颗粒的比例应尽可能小：g_e = 0.35。在允许范围内（0≤g≤0.3），插层剂颗粒的分数变化会改变阴极活性物质的主要参数：电化学活性插层剂颗粒的分数g〜*（g〜*

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