Multiphysics Model Incorporating Shuttling-Induced Capacity Loss and Cost Analysis of Lithium-Sulfur Batteries

Abstract

With the growing popularity of electric vehicles, longer lasting batteries are necessary for better mileage. Battery chemistries with larger energy densities compared to Lithium-Ion Batteries (LIB) need to be developed. Lithium-Sulfur Battery (LSB) is a good alternative due to its high theoretical and practical energy densities. However, commercialization of LSBs has yet to be realized due to shorter lifetimes caused by non-ideal battery processes such as polysulfide shuttling. Through multiphysics modeling, the effects of shuttling can be observed. Additionally, cost analysis can determine the feasibility of LSBs for mass production and its competitiveness against LIBs. In this work, energy density optimization and LSB cost estimation were done using combined multiphysics modeling and cost modeling approaches. Using COMSOL Multiphysics®, the energy densities of the batteries with and without shuttling were optimized by changing the thickness and porosity of the cathode and separator. Then, a bottom-up cost analysis of the optimized battery cell was conducted using the BatPaC model. It was observed that shuttling leads to a lower optimized energy density. To compensate for the shuttling-induced capacity loss, the model’s optimized battery dimensions had a separator porosity increase by 22.08 % and a cathode thickness and porosity decrease by 23.72 % and 16.21 %. Additionally, shuttling increases battery material costs by 13.35 % because of the larger and more expensive current collectors must compensate for the size of the smaller electrodes. Future works may explore various C-rates and use cases to identify optimal battery parameters for each.