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电化学电池的平均场动力学晶格气体模型。

Mean-field kinetic lattice gas model of electrochemical cells.

作者信息

Bernard Marc-Olivier, Plapp Mathis, Gouyet Jean-François

机构信息

Laboratoire de Physique de la Matière Condensée, CNRS/Ecole Polytechnique, 91128 Palaiseau, France.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Jul;68(1 Pt 1):011604. doi: 10.1103/PhysRevE.68.011604. Epub 2003 Jul 25.

Abstract

We develop electrochemical mean-field kinetic equations to simulate electrochemical cells. We start from a microscopic lattice-gas model with charged particles, and build mean-field kinetic equations following the lines of earlier work for neutral particles. We include the Poisson equation to account for the influence of the electric field on ion migration, and oxido-reduction processes on the electrode surfaces to allow for growth and dissolution. We confirm the viability of our approach by simulating (i) the electrochemical equilibrium at flat electrodes, which displays the correct charged double layer, (ii) the growth kinetics of one-dimensional electrochemical cells during growth and dissolution, and (iii) electrochemical dendrites in two dimensions.

摘要

我们开发了电化学平均场动力学方程来模拟电化学电池。我们从一个带有带电粒子的微观晶格气体模型出发,沿着早期针对中性粒子的工作思路构建平均场动力学方程。我们纳入泊松方程以考虑电场对离子迁移的影响,以及电极表面的氧化还原过程以允许生长和溶解。我们通过模拟(i)平面电极处的电化学平衡(其显示出正确的带电双层)、(ii)一维电化学电池在生长和溶解过程中的生长动力学以及(iii)二维电化学枝晶,证实了我们方法的可行性。

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