Procedure of Cell-Impedance-Controlled Current Transients

2 Calculation Procedure of Cell-Impedance-Controlled Current Transients 

The model parameters are determined in the following manner the functional relations =/( — 8) and R eii =7i ), which are incorporated into B.C. of Equation (5.21), are obtained by the polynomial regression analysis of the electrode potential curves and the Kceii versus E curves determined from the Jin, versus AE plots, respectively. It should be borne in mind that (1 — 8) does not represent the average lithium content in the electrode, but the lithium content at the surface of the electrode. In other words, the electrode potential (t) in Equation (5.21) is the potential at the electrode surface. As the relationship —/(I — 8) includes information about the phase transition, we can consider the effect of phase transition on the theoretical CT with the functional relationship =fil — 8), without taking any of the intercalation isotherm. 

The chemical diffusivity of lithium ions 0 + in the transition metal oxides and graphite is taken as 10 10 cm s [13, 97-100] on the basis of scanning electron microscopy (SEM) inspections, the average radius R is estimated to be 1-10 pm. The electrochemically active area A a is calculated from the radius R, and the theoretical density of the particles considered assuming that A a is identical to the total surface area of the electrode comprised of the spherical particles. 

The calculation procedure of CTs is as follows at t = 0, the values of lithium content 

Kceii are first initialized to be those values at initial electrode potential , ,. When the 

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Calculation Procedure of Cell-Impedance-Controlled Current Transients with Kinetic Monte Carlo Method... 

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