Health Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka 563-8577, Japan.
J Chem Phys. 2013 Jun 21;138(23):234704. doi: 10.1063/1.4809743.
The electrochemical thermodynamics of electrolytes in porous electrodes is qualitatively different from that in the bulk with planar electrodes when the pore size is comparable to the size of the electrolyte ions. In this paper, we discuss the thermodynamics of a two component electrolyte in a porous electrode by using Monte Carlo simulation. We show that electrolyte ions are selectively adsorbed in porous electrodes and the relative concentration of the two components significantly changes as a function of the applied voltage and the pore size. This selectivity is observed not only for the counterions but also for the coions.
当孔径可与电解质离子的大小相比拟时,多孔电极中的电解质电化学热力学与具有平面电极的电解质的热力学在性质上有很大的不同。本文采用蒙特卡罗模拟方法讨论了多孔电极中两种组分电解质的热力学。结果表明,电解质离子在多孔电极中被选择性吸附,两种组分的相对浓度随外加电压和孔径的变化而显著变化。这种选择性不仅存在于抗衡离子中,也存在于共离子中。