Multi-scale modeling of diffusion and electrochemical reactions in porous micro-electrodes
Idioma
en
Article de revue
Este ítem está publicado en
Chemical Engineering Science. 2017-07-25, vol. 173, p. pp. 153-167
Elsevier
Resumen en inglés
A multi-scale model of diffusion/reaction at play in a porous electrode is developed and solutions to the physico-electro-chemical coupled problem are provided. This represents a key step to progress in the optimization ...Leer más >
A multi-scale model of diffusion/reaction at play in a porous electrode is developed and solutions to the physico-electro-chemical coupled problem are provided. This represents a key step to progress in the optimization of new efficient and innovative micro-electro-devices that needs to be addressed from a chemical engineering point of view. The pore-scale model based on Fickian diffusion in the porous medium and Nernstian layer and the electrochemical reaction governed by the Buttler-Volmer equation isupscaled using volume averaging to obtain a macroscopic model that describes the process on an effective equivalent medium. The validity and accuracy of the macroscopic model is successfully checked through the comparison with direct numerical simulations of the initial microscale model for amperometry tests. Predictions obtained from the upscaled model on the current intensity versus the scanning potential during voltammetry reveal to be in very good agreement with experimental results reported in the literature. These results show the capability of the macroscopic model to analyze the behavior of the porous electrode. In particular, it provides an efficient tool to study the dependence of the current intensity on the microstructure of the porous material and on the electrochemical parameters with the perspective of optimizing the electrode efficiency.< Leer menos
Palabras clave en inglés
Porous electrode
Diffusion
Heterogeneous reaction
Volume averaging method
Proyecto ANR
Initiative d'excellence de l'Université de Bordeaux - ANR-10-IDEX-0003
Orígen
Importado de HalCentros de investigación