On the modelling of multidisciplinary electrochemical systems with application on the electrochemical conversion of CO2 to formate/formic acid

This paper presents a model-based approach on the analysis of complex multidisciplinary electrochemical processes, with implementation on a reactor for the electrochemical conversion of CO2 to formate/formic acid. The process is regarded as a system of interacting physical and electrochemical mechanisms. A process model is developed by combining individual mathematical sub-models of the mechanisms, organised at groups of compartments following the physical process structure. This approach results in a generic reconfigurable model that can be used as a part of integrated systems, and to test design modifications. The approach is demonstrated on an electrochemical cell, where CO2 is converted to formate/formic acid. The model captures the molar transportation under electric field, the two-phase flow effects, and the key electrochemical reactions. The model is calibrated and validated against experimental data obtained from a continuous flow cell. The key parameters affecting the process performance are discussed through scale-up analysis. © 2016 Elsevier Ltd. All rights reserved.