Computer simulation of active layers in double-layer supercapacitors: Galvanostatics, determination of effective coefficients, and calculation of overall characteristics

Abstract

A computer simulation of the structure and modes of functioning of biporous active layers (activated carbon) in double-layer capacitors (DLCs) was performed. The charging of DLCs in a galvanostatic mode was studied. The main characteristics of DLCs (charging time, specific capacity, stored energy, and power) were calculated. DLCs with aqueous electrolyte of different types were studied: active layer with the “ideal” structure (type 1), active layer with a monoporous structure (2), and biporous active layer (3). A computer simulation of biporous active layers of DLCs involves the formulation of a model of the structure of the active layer, percolation evaluation, and calculation of the effective ion conductivities of both highly porous carbon grains and the whole active layer. When calculating the characteristics of the active layers of DLC, we analyzed the effect of the main parameters (charge current density and active layer thickness) on the charging process and overall characteristics. The central problem of calculation of a DLC with a real, nonmonoporos structure was formulated. In active layers generally having pores of three types (micro-, meso-, and macropores) in the galvanostatic mode of DLC charging, the wide pores are polarized first. In this case, the limiting acceptable potential is achieved, and galvanostatic charging should be stopped and changed to potentiostatic charging. As a result, a large number of micropores can remain unpolarized. Therefore, it is important to perform a theoretical search for means to carry out complete adsorption of ions in micropores and obtain high specific capacities of DLCs.