This thesis attempts to create a mathematical model of a 3D pouch cell based on solvent diffusion and kinetics to simulates loss of capacity while charging and discharging process in a lithium-ion battery. Interface at the solid electrolyte (SEI), which is the main cause of capacity fade, and continuous solvent reduction and lithium de-intercalation at the electrode/electrolyte interface are used in the model to calculate loss of capacity. Molecular masses and density are used in a sensitivity analysis to estimate the thickness of SEI deposit, which is a problem measuring experimentally. On the carbon electrode, the cycle time was used to calculate the open circuit potential, capacity loss, film thickness and film resistance.

In this model, the charge transfer rate is based on experimental data that depends on the overpotential, as opposed to current simulation research that employs 0.5 as the charge transfer coefficient's constant value. Film development is observed to be significantly influenced by the rate constant of SEI generation at the anode. Reaction kinetics for different binders are investigated for capacity fade.

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