Modeling Planar Electrodes and Zero‐Gap Membrane Electrode Assemblies for CO2 Electrolysis

Abstract

Abstract Multiphysics modeling enables probing of conditions inside a CO2 electrolyzer that are difficult to measure, such as local concentrations and pH, as well as rapid testing of possible design changes. A one‐dimensional model for a zero‐gap membrane electrode assembly (MEA) CO2 electrolyzer was developed with the assumption that catalyst layers interact with the membrane ionomer such that the ionomer affects the underlying kinetics. The kinetics for bicarbonate reacting to form hydrogen are fit using a planar electrode model for silver with an ionomer coating. The MEA model results are validated against experimental studies for current density and product selectivity. Flooding of the cathode is modeled using saturation curves, and results show that blocked pores in the microporous layer play a significant role in limiting the mass transport at high potentials (>2.8 V). Sensitivity studies showed that CO Faradaic efficiency can be increased by decreasing catalyst layer thickness and porosity, and decreasing KHCO3 concentration.

Keywords

• Electrochemistry
• Energy Conversion
• Kinetics
• Semiempirical Calculations
• Sustainable Chemistry