Computer modeling of negative electrode operation in lithium-ion battery: Model of equal-sized grains, galvanostatic discharge mode, calculation of characteristic parameters

Research paper by Yu. G. Chirkov, V. I. Rostokin, A. M. Skundin

Indexed on: 22 Feb '11Published on: 22 Feb '11Published in: Russian Journal of Electrochemistry


A computer simulation of the negative electrode (anode) operation in a lithium-ion battery is performed. A complete research program is carried out in accordance with the recommendations of the theory of porous electrodes: the “model of equal-sized grains of two types” was studied, percolation properties of the anode active layer were researched, values of effective coefficients were calculated for charge transfer and mass transport, a complete system of equations describing operation of the anode is presented. Two specific cases of galvanostatic mode of anode discharge are considered in detail: an “ideal” anode and anode with nanosize particles. Working anode parameters are calculated: optimum bulk concentration of graphite in the active layer, active layer thickness, time of complete anode discharge, its specific electric capacitance and final potential on the active/layer interelectrode space interface. Advisability of working with anodes with nanosize grains and electrolyte with enhanced specific conductivity is shown.