Application of a temporal multiscale method for efficient simulation of degradation in PEM Water Electrolysis under dynamic operating conditions

Hydrogen is emerging as a vital energy carrier, driven by the need to reduce carbon emissions. Proton Electrolyte Membrane Water Electrolysis (PEMWE) enables hydrogen production under fluctuating renewable power conditions but requires improved understanding and stability of the anode catalyst layer under dynamic operating conditions, especially with low noble metal loadings. Long-term degradation experiments are both time-consuming and costly; therefore, a systematic, model-aided approach is essential. In the present work, a temporal multiscale method is applied to reduce the computational effort of simulating long-term degradation processes in PEMWE, with an exemplary focus on catalyst dissolution. A mechanistic model incorporating the oxygen evolution reaction, catalyst dissolution, and hydrogen permeation from the cathode to the anode was hypothesized and implemented. In this way, the local periodicity of transport and reaction processes in dynamic PEMWE operation, which influence the gradual degradation of the catalyst layer, is captured. The temporal multiscale method significantly reduces the computational effort of simulation, decreasing processing time from hours to mere minutes. This efficiency gain is attributed to the limited evolution of Slow-Scale variables during each period of time P of the Fast-Scale variables. Consequently, simulation is required only until local periodicity is achieved within each Slow-Scale time step. Hence, the fully resolved dynamic problem is decoupled into these two scales, employing a heterogeneous multiscale technique. The developed approach effectively accelerates parameter estimation and predictive simulations, supporting systematic modeling of PEMWE degradation under dynamic conditions.. Authors: Dominguez, Dayron Chang [Otto von Guericke University, Magdeburg (Germany)] (ORCID:0000000201537235); Dam, An Phuc [Max–Planck-Institute for Dynamics of Complex Technical Systems (Germany)] (ORCID:0000000347589687); Alia, Shaun M. [National Renewable Energy Laboratory (NREL), Golden, CO (United States)]; Richter, Thomas [Otto von Guericke University, Magdeburg (Germany)] (ORCID:0000000302063606); Sundmacher, Kai [Otto von Guericke University, Magdeburg (Germany); Max–Planck-Institute for Dynamics of Complex Technical Systems (Germany)] (ORCID:0000000332510593). DOE Contract: AC36-08GO28308. Subjects: 08 HYDROGEN; 97 MATHEMATICS AND COMPUTING; PEM electrolysis; differential equations; electrochemical modeling; heterogeneous multiscale method; temporal multiscale method