Application of a Temporal Multiscale Method for Efficient Simulation of Degradation in PEM Water Electrolysis under Dynamic Operation

TL;DR

This paper introduces a temporal multiscale simulation method that significantly accelerates the modeling of catalyst degradation in PEM water electrolysis under dynamic conditions, aiding long-term system analysis.

Contribution

A novel multiscale approach reduces computational effort in simulating PEMWE degradation, enabling faster and more efficient long-term performance predictions.

Findings

Simulation time reduced from hours to minutes.

Method accurately captures dynamic degradation processes.

Supports systematic model development for PEMWE.

Abstract

Hydrogen is vital for sectors like chemicals and others, driven by the need to reduce carbon emissions. Proton Electrolyte Membrane Water Electrolysis (PEMWE) is a key technology for the production of green hydrogen under fluctuating conditions of renewable power sources. However, due to the scarcity of noble metal materials, the stability of the anode catalyst layer under dynamic operating conditions must be better understood. Model-aided investigation approaches are essential due to the back-box nature of the electrochemical system and the high costs of experimental long-term testing. In this work, a temporal multiscale method based on a Heterogeneous technique is applied to reduce the computational effort of simulating long-term degradation, focused on catalyst dissolution. Such an approach characterizes the problem in fast locally periodic processes, influenced by the dynamic operation and slow processes attributed to the gradual degradation of the catalyst layer. A mechanistic model that includes the oxygen evolution reaction, catalyst dissolution and hydrogen permeation from the cathode to the anode side is hypothesized and implemented. The multiscale approach notably reduces computational effort of simulation from hours to mere minutes. This efficiency gain is ascribed to the limited evolution of Slow-Scale variables during each period of time of the Fast-Scale variables. Consequently, simulation of the fast processes is required only until local periodicity is achieved within each Slow-Scale time step. Thus, the developed temporal multiscale approach proves to be highly effective in accelerating parameter estimation and predictive simulation steps, as could be verified through the results of this article. In this way, the method can support systematic model development to describe degradation in PEMWE under dynamic operating conditions.