Electrochemical Processes at the Micro and Nano Scale

MODELING OF ELECTROCHEMICAL PROCESSES AT THE MICRO AND NANO SCALE 

An answer therefore could be a less time consuming and novel mnltistep Continnnm Monte Carlo technique to solve problems created by multiphenomena characteristics of electrochemical processes and power sources. In the case shown for a lithium ion battery cathode material three different types of Continuum Monte Carlo codes are written to solve three different electrochemical phenomena. All the codes are based on fundamental electrochemical principles, therefore invaluable physics is not lost while deriving useable data. 

In the present work, a simulation strategy is formulated to study the performance of cathode materials in lithium ion batteries. Here micro scale properties, for example, diffusion of spherical electrode particle within the periodic boundaiy condition, 0 x lp is considered as one of the important criterion. The electrode particles move in each step to its nearest neighbor distance, employing the condition ir j) e -dLi lds ), where ir represents the random number, dLil is the nearest neighbor distance for the Li ion in the absence of solvent and ds being the thickness of the sohd phase. The MC codes involve macro scale properties, namely, solvation effects, diffusion coefficients and the concentration gradient 

Performance Characteristics of Cathode Materials for Lithium Ion Batteries 

Li-0 partial bond formation. The discharge curves obtained agree satisfactorily with existing literature for LiCo02 and LiFeP04. 

---