Grand canonical Monte Carlo study on water agglomerations within a polymer electrolyte membrane fuel cell gas diffusion layer

► Development of a grand canonical Monte Carlo model on the μm-scale. ► Simple systems to show the ability of the model to correctly reproduce the properties of water. ► Water distribution within a GDL obtained from synchrotron tomography measurements. ► Mean water distribution of a GDL was analysed performing MC simulations on real GDL structures. ► Comparison of the simulation results to experimental data regarding the inner GDL water distribution.