Numerical optimization of PEM fuel cell electrocatalytic layers via an agglomerate level model

National Research Center “Kurchatov Institute”, 123182 Moscow, Russia

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Published online: 5 February 2026

Abstract

The objective of developing the physicochemical model is to formulate recommendations for the fabrication of the membrane–electrode assembly and its components with parameters that meet the requirements imposed on fuel cells. The agglomerate model of the catalytic layers assumes that catalyst particles (platinum on carbon black) are grouped into small spherical agglomerates, each bounded and filled with a polymer electrolyte. Numerical analysis of the cathode catalytic layer shows that the optimal polymer electrolyte content depends on the catalytic layer porosity and air humidity. For porosities in the range of 30–60%, the optimal polymer electrolyte mass fraction lies between 20–30% and decreases with increasing porosity. Increasing air humidity shifts the optimal polymer electrolyte content from approximately 30–40 wt% to about 60 wt%. These results characterize the influence of key parameters on the composition of cathode catalytic layers in proton exchange membrane (PEM) fuel cells. The model-based optimization of cathode catalytic layer structure enhances platinum utilization and minimizes transport losses, enabling reduced noble-metal loading and higher electrochemical efficiency in support of the United Nations (UN) Sustainable Development Goals (SDG 7: Affordable and Clean Energy; SDG 13: Climate Action).