Thermal Performance Analysis of Supercapacitors Using Computational Modeling

Abstract

Supercapacitors have emerged as a crucial technology in the field of energy storage due to their exceptional power density, rapid charge-discharge capabilities, and long cycle life, positioning them as viable alternatives to conventional batteries and capacitors. However, their low energy density restricts their applicability in scenarios demanding sustained energy delivery, thus necessitating innovative approaches to enhance their performance characteristics. This study undertakes a comprehensive investigation into the thermal and electrochemical dynamics of supercapacitors through advanced computational modeling techniques, aiming to address this key limitation and improve performance. In the initial phase, convex optimization implemented within the Python programming environment was utilized to maximize energy density by tailoring the charge and discharge cycles of a generic supercapacitor model. This approach yielded a 95.31% increase in energy density over a five-second interval, elevating it from an initial value to a significantly optimized state. Building upon this foundation, the research further explored the optimization of supercapacitors employing molybdenum disulfide (MoS₂) electrodes, achieving an enhancement of 118% in energy density owing to superior electrical conductivity, chemical stability, and thermal resilience of MoS₂. To complement these optimization efforts, thermal performance was analyzed using COMSOL Multiphysics, focusing on MoS₂ electrodes immersed in a 1M potassium hydroxide (KOH) electrolyte. The simulations revealed substantial temperature elevations attributable to Joule heating, with values escalating from 300 K at a current of 0.2 A to 325 K at 0.5 A, underscoring the thermal challenges associated with higher operational currents. In a parallel investigation, reduced graphene oxide (rGO) electrodes were examined across varying KOH molarities (1M, 2M, and 3M), demonstrating a nuanced interplay between electrolyte concentration and thermal behavior. Notably, higher molarities resulted in a reduced peak temperature, going down from 340 K to 336 K at 0.3 A—alongside enhanced ionic conductivity, albeit accompanied by increased exothermic reaction rates. Collectively, these findings highlight the key roles of material selection, electrolyte composition, and thermal management in optimizing supercapacitor performance, offering a reliable framework for the design and development of next-generation energy storage systems capable of meeting the escalating demands of modern applications.