Morf W E, Pretsch E, De Rooij N F
Institute of Microtechnology, University of Neuchâtel, Rue Jaquet-Droz 1, CH-2007 Neuchâtel, Switzerland.
J Electroanal Chem (Lausanne). 2007 Apr 1;602(1):43-54. doi: 10.1016/j.jelechem.2006.11.025.
A simple but powerful numerical simulation for analyzing the electrochemical behavior of ion-selective membranes and liquid junctions is presented. The computer modeling makes use of a finite-element procedure in the space and time domains, which can be easily processed (e. g., with MS Excel software) without the need for complex mathematical evaluations. It leads to convincing results on the dynamic evolution of concentration profiles, potentials, and fluxes in the studied systems. The treatment accounts for influences of convection, flow, or stirring in the sample solution that act on the boundary diffusion layer and it is even capable of including the effects of an electrolyte flow through the whole system. To minimize the number of arbitrary parameters, interfacial reactions are assumed to be near local equilibrium, and space-charge influences are considered via phase-boundary potential differences. The applicability of the computer simulation is demonstrated for different ion-selective membranes as well as for liquid junctions. The numerical results are in excellent agreement with experimental data.
本文提出了一种简单而强大的数值模拟方法，用于分析离子选择膜和液接界的电化学行为。该计算机建模在空间和时间域中采用有限元程序，无需复杂的数学计算即可轻松处理（例如，使用MS Excel软件）。它在研究系统中浓度分布、电位和通量的动态演变方面得出了令人信服的结果。该处理方法考虑了样品溶液中对流、流动或搅拌对边界扩散层的影响，甚至能够包括电解质流经整个系统的影响。为了尽量减少任意参数的数量，假设界面反应接近局部平衡，并通过相界电位差考虑空间电荷的影响。计算机模拟在不同离子选择膜以及液接界方面的适用性得到了证明。数值结果与实验数据非常吻合。
