Table of Contents
ISRN Nanotechnology
Volume 2011, Article ID 708927, 5 pages
Research Article

Local Ordered Structure of Propylene Carbonate in Slit-Shaped Carbon Nanopores by GCMC Simulation

1Graduate School of Science, Chiba University, 1-33 Yayoi, Inage, Chiba 263-8522, Japan
2Research Center for Exotic Nanocarbons, Shinshu University, 1-17-1 Wakasato, Nagano 380-8553, Japan

Received 4 July 2011; Accepted 4 August 2011

Academic Editors: N. H. Tai and K. N. Trohidou

Copyright © 2011 Tomonori Ohba et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


An electric double-layer capacitor (EDLC) has high potential for storing electrical energy at a high power density. It was reported that a narrow nanopore system provides higher performance of EDLCs. In such a system, propylene carbonate (PC) is generally used as a solvent in EDLCs. Hence, the structure of PC in the slit-shaped carbon nanopores should be investigated to reveal the EDLC mechanism. In this paper, grand canonical Monte Carlo simulation of PC adsorbed in nanopores was performed to elucidate molecular-level understanding of the influence of PC on the EDLC performance. PC molecules have a highly ordered structure and longer intermolecular distances in nanopores of a pore width less than 0.7 nm. Thus, the highly ordered and low-density structure formation of the adsorbed PC molecules in narrow nanopores provides a permeation path for electrolytes through nanopores, indicating high-performance EDLCs.