Numerical Investigation on Two-Phase Flow-Electrochemical Reaction Coupling in PEM Water Electrolyzers Porous Transport Layer Under High Operating Pressures

Abstract

Proton exchange membrane water electrolyzers (PEMWEs) operated at high pressures have advantages such as lower energy consumption, reduced noise, and absence of component slippage. They have a more robust potential for commercial applications than other electrolyzers. The transport characteristics of two-phase flow within the porous transport layer (PTL) and channels are not well understood, especially under high-pressure conditions. The gas bubbles generated in the catalyst layer (CL) pass through the PTL and reach the flow channel. However, oxygen evolution reaction in the anode CL may be limited if these bubbles block the pathway of liquid water, causing reactant starvation. The interaction between electrochemical reactions and gas bubbles thus directly impacts a PEMWE's efficiency. This study aims to investigate the coupling between the two-phase flow and electrochemical reactions under high-pressure conditions.A two-dimensional (2D) CFD model was developed to simulate the bubbly flow through a reconstructed PTL. The volume of fluid (VOF) method was employed to capture bubble growth, movement, and detachment, as illustrated in Figure 1. The coupling of bubble transport and electrochemical reactions was achieved through the application of a weighted averaging method. A cross-section of a stochastically reconstructed titanium felt model was generated as the computational domain; see Fig. 1(a). The computation domain consists of a liquid water channel, a PTL, and a simplified CL interface at the bottom. The CL's reaction rate is modeled as a function of local bubble coverage on the CL interface. Transient simulations of the two-phase flow of the PEMWE anode side were carried out for pressures ranging from 1 bar to 200 bar. The simulation results elucidate the flow characteristics of liquid water in the PTL under high-pressure conditions and quantitatively reveal the coupling between two-phase flow and electrochemical reactions. The behavior of the two-phase flow in PEMWE is found to be sensitive to operating pressure. As the operating pressure increases, the size of bubbles generated on the CL interface decreases, resulting in a higher permeability of liquid water than that under low pressures. When the flow rate of liquid water in the channel is sufficiently high, bubbles do not fully develop and are rapidly removed from the domain. This phenomenon significantly shifts the two-phase flow regime within the channels,. Furthermore, the activation overpotential is substantially reduced under high-pressure conditions. The present study demonstrates a numerical simulation tool for high-pressure PEMWE. A future study of a full 3D PTL model is currently underway. Figure 1