(178i) A Computational Study of the Behavior of Ionic Liquids Confined Inside Nanoporous Carbons

Research of ionic liquids confined inside nanoporous electrodes has gained interest for their potential applications in electrochemical double layer capacitors (EDLCs) for hybrid vehicles, and dye-sensitized solar cells (DSSCs). A fundamental understanding of the behavior of ionic liquids when confined inside nm-sized pores is necessary to optimize these applications, as the properties of fluids inside nanopores can be substantially different from those exhibited by bulk phases. Using molecular dynamics simulations, we investigate the physical behavior of a typical ionic liquid (e.g., [DMIM+][Cl-]) confined inside nanoporous carbons. Different model carbon materials (e.g., slit-like graphitic pores, ordered mesoporous carbons such as CMK-3) with different pore morphologies and sizes (0.9 nm to 4.5 nm) are considered in our studies. We analyze and discuss the effects of pore size and pore morphology on the structural and dynamical properties of the confined ionic liquid.