表面科学
Online ISSN : 1881-4743
Print ISSN : 0388-5321
ISSN-L : 0388-5321
特集:電極反応の計算シミュレーション
電気二重層の計算化学
山本 雅博
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2013 年 34 巻 12 号 p. 626-631

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The theory of electrical double layer has 100 year history since Gouy and Chapman proposed. Since then the three-dimensional numerical solutions of Poisson-Boltzmann (PB) equation were widely applied for many systems such as chemically modified electrode or the electrode with micro-pore. However there are some shortcomings in PB theory for strongly electrified interface, ion-ion interaction in concentrated solution, and multivalent counter ions. In this article the canonical Monte Calro simulation with primitive model, which is simplest way to simulate the electrical double layer, is introduced.

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この記事はクリエイティブ・コモンズ [表示 - 非営利 4.0 国際]ライセンスの下に提供されています。
https://creativecommons.org/licenses/by-nc/4.0/deed.ja
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