A three-dimensional multiphase model of proton exchange membrane electrolysis cell based on self-developed simulation platform

Abstract

Proton exchange membrane electrolysis has emerged as a promising hydrogen production technology, and accurate multi-physics field estimation is crucial for performance optimization. This study constructs a three-dimensional two-phase non-isothermal numerical model including fluid dynamics, heat and mass transfer, electrochemical reaction kinetics, two-phase flow, and water transport through the membrane based on self-developed simulation platform. In contrast to the models provided by present commercial software, the proposed model solves two different species systems of anode and cathode separately, employing mixture model for anode two-phase flow and liquid water pressure equation for cathode. Furthermore, the capillary effect is included in the solution of the anode volume fraction conservation equation instead of specifying a constant diffusion coefficient. Subsequently, the influence of main operating parameters on cell performance is investigated. Results show that the terminal voltage is the most influential operating parameter on hydrogen and oxygen generation rate and cell temperature, for its direct effect on current density. Increasing the anode liquid water inlet velocity promotes hydrogen production and contributes to the temperature control of electrolyzer simultaneously. An increase in the operating temperature leads to a reduction in overpotential, thereby promoting the performance of PEMEC. Finally, future research needs are proposed.

Keywords: Proton exchange membrane electrolysis, numerical simulation, self-developed platform, two-phase flow, parameter study