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Journal of Chemical Physics / Volume 134 / Issue 15 / ARTICLES / Surfaces, Interfaces, and Materials

J. Chem. Phys. 134, 154710 (2011); http://dx.doi.org/10.1063/1.3578468 (6 pages)

Phase transition in porous electrodes

Kenji Kiyohara, Takushi Sugino, and Kinji Asaka

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

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(Received 5 January 2011; accepted 25 March 2011; published online 21 April 2011)

It is shown by Monte Carlo simulation that electrochemical thermodynamics of electrolytes in a porous electrode is qualitatively different from that in the bulk with a planar electrode. In particular, first order phase transitions occur in porous electrodes when the pore size is comparable to the ion size of the electrolytes: as the voltage is increased from zero, the surface charge density and the ion density in the porous electrodes discontinuously change at a specific voltage. The critical points for those phase transitions are identified.

© 2011 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. MODELS
  3. MONTE CARLO SIMULATION
  4. RESULTS AND DISCUSSION
  5. CONCLUSIONS

EDITORIALLY RELATED

  1. Phase transition in porous electrodes. II. Effect of asymmetry in the ion size
    Kenji Kiyohara et al.
    J. Chem. Phys. 136, 094701 (2012)JCPSA6000136000009094701000001

RELATED DATABASES

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KEYWORDS and PACS

Keywords

critical points, electrochemical electrodes, electrolytes, Monte Carlo methods, phase transformations, porous materials, thermodynamics

PACS

  • 82.45.Fk

    Electrodes

  • 82.45.Gj

    Electrolytes

  • 82.60.Lf

    Thermodynamics of solutions

  • 64.60.De

    Statistical mechanics of model systems (Ising model, Potts model, field-theory models, Monte Carlo techniques, etc.)

  • 64.60.fd

    General theory of critical region behavior

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3578468

PUBLICATION DATA

ISSN

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

Publisher

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

For access to fully linked references, you need to log in.
    K. Kiyohara, T. Sugino, and K. Asaka, J. Chem. Phys. 132, 144705 (2010)JCPSA6000132000014144705000001.

    K. Kiyohara and K. Asaka, J. Chem. Phys. 126, 214704 (2007)JCPSA6000126000021214704000001.

    G. M. Torrie, J. P. Valleau, and G. N. Patey, J. Chem. Phys. 76, 4615 (1982)JCPSA6000076000009004615000001.

    Y. S. Jho, G. Park, C. S. Chang, P. A. Pincus, and M. W. Kim, Phys. Rev. E 76, 011920 (2007).

    G. Orkoulas and A. Z. Panagiotopoulos, J. Chem. Phys. 110, 1581 (1999)JCPSA6000110000003001581000001.


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