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Journal of Chemical Physics / Volume 132 / Issue 14 / ARTICLES / Surfaces, Interfaces, and Materials

J. Chem. Phys. 132, 144705 (2010); http://dx.doi.org/10.1063/1.3376611 (12 pages)

Electrolytes in porous electrodes: Effects of the pore size and the dielectric constant of the medium

Kenji Kiyohara, Takushi Sugino, and Kinji Asaka

Research Institute for Cell Engineering, National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka 563-8577, Japan

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(Received 28 December 2009; accepted 10 March 2010; published online 14 April 2010)

Monte Carlo simulations in the constant voltage ensemble were performed for electrolytes in porous electrodes. It was found that the electrical and mechanical properties in porous electrodes dramatically change depending on the pore size and the dielectric constant of the medium. For a low dielectric constant of the medium, the capacitance of porous electrodes tends to increase as the pore size decreases and the pressure in the porous electrodes is positive or negative depending on the pore size. For a high dielectric constant of the medium, on the contrary, the capacitance tends to decrease as the pore size decreases and the pressure is positive for all the conditions studied here. Such pore size dependencies are explained in terms of the balance between the electrostatic interaction and the volume exclusion interaction in the porous electrode.

© 2010 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. MODEL
  3. SIMULATION METHOD
  4. RESULTS AND DISCUSSION
    1. Surface charge density
    2. Ion density
    3. Pressure
    4. Electrical potential
    5. Chemical potential
  5. CONCLUSIONS

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KEYWORDS and PACS

Keywords

capacitance, electrodes, electrolytes, Monte Carlo methods, permittivity, porosity, porous materials

PACS

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3376611

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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