Elektrik çift tabaka kapasitörlerinin kinetik ve denge özelliklerinin incelenmesi

The growing demand for efficient and scalable energy storage solutions has driven significant advancements in supercapacitor technology. This study investigates the kinetic and structural equilibrium characteristics of Electrical Double-Layer Capacitors (EDLCs) using molecular dynamics (MD) simulations to examine the effects of pore size, solvent dipole moment, and applied voltage on their performance. Twenty distinct systems were designed by combining two pore sizes (7.78 Å and 14.75 Å), five solvent dipole moments (ranging from 0.91 D to 6.18 D), and two applied voltages (1 V and 2 V). The objective is to elucidate how these parameters interact to optimize the energy and power densities of EDLCs. The results indicate a complex and sensitive relationship between pore size, electrode voltage, and capacitance. For systems with a 14.75 Å pore size, a positive correlation was observed between solvent dipole moment and capacitance across all dipole moments. However, in narrower pores (7.78 Å), this correlation reversed beyond a dipole moment of 2.88 D, revealing a nuanced dependence of capacitance on solvent polarity. Additionally, electrolyte behavior within the pores exhibited distinct spatial distributions: narrower pores led to denser ion layering, whereas wider pores facilitated more uniform ion dispersal. These findings provide deeper insights into EDLC dynamics, offering valuable guidelines for optimizing the design of next-generation supercapacitors.