A kinetics-mass transport model for CO2 electroreduction reactor to investigate performance limitation factors. (23rd November 2022)

• Record Type: Journal Article
• Authors: Fang, Yuanxin; Cui, Haozhe; Chen, Bo; Chen, Wanting; Ruan, Xuehua; Wu, Xuemei; Cui, Fujun; Guo, Minggang; He, Gaohong
• Is Part Of: Chemical engineering science. Volume 262(2022)
• Publication Date: 2022-11-23
• Subjects: Carbon dioxide -- Electroreduction reactor -- Mathematical model -- Reactor simulation; CO2RR CO2 electroreduction -- CO2ECR CO2 electrochemical reactor -- CFD Computational fluid dynamics -- PEM Proton exchange membrane -- PEMFC Proton exchange membrane fuel cell -- GDL Gas diffusion layer -- CL Catalyst layer -- BL Buffer layer -- RDS Rate determining step -- HER Hydrogen evolution reaction -- GA Genetic algorithm -- L-MA Levenberg-Marquardt algorithm -- DLL Dynamic link library -- MEA Membrane electrode assembly; Chemical engineering -- Periodicals; Génie chimique -- Périodiques; Chemical engineering; Periodicals; Electronic journals; 660
• DOI: 10.1016/j.ces.2022.117996
• Languages: English
• ISSNs: 0009-2509

Abstract

Graphical abstract: Highlights: A novel kinetics-mass transport model for CO2 electroreduction reactor is proposed. CO2 RR-HER competition, selectivity-conversion, H2 utilization link to key parameters. The model is embedded into Aspen HYSYS to provide process design tool for CO2 ECR. Abstract: Modeling of CO2 electroreduction reactor (CO2 ECR) is highly demanded for rapid design of industrial processes, while facing challenges in practical applications. Herein, a kinetics-mass transport model is proposed, which can well balance the competition between HCOO – produce and H2 evolution, and be easily integrated into Aspen HYSYS as a user defined module for CO2 ECR process design. By considering both cathode potential and CO2 concentration in flow channel, optimal regions of the key parameters can be simulated to achieve high efficiency of CO2 electroreduction, i.e., about 80 % for both HCOO – Faraday efficiency and CO2 conversion with slightly compressed pure CO2 feedstock of 300 kPa. By increasing anode flow rates, the lean streams with H2 concentration of around 50% achieve nearly the maximum H2 utilization, which is attractive due to the possible reduction of purification cost.