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The main objective of this work is to predict the breakthrough pressure of liquid water transport through the gas diffusion layer (GDL) and/or micro porous layer (MPL) used in polymer electrolyte membrane fuel cells. The integration of structural GDL and MPL with Lattice Boltzmann Method is primary focused. The numerical predictions are also compared with experimental data. The interaction between liquid phase and different surface treatments of solid structures controls the evolution of liquid water and the change of capillary pressure. The geometries of GDLs and MPLs were obtained by three dimensional reconstructed micro-structure images from both nanometer and micrometer-scaled high spatial resolution X-ray computed tomography (CT). The predictions of water breakthrough pressure agree with the data observed in the experiment. They also reveal that the breakthrough pressure and liquid water evolution inside the GDL samples are different when the wetting properties of GDL and/or MPL are changed. The detailed microporous property can be obtained using high spatial resolution image from nanometer-scaled X-ray CT, a.k.a. Nano X-ray CT. Meanwhile, images from micrometer-scaled X-ray CT, a.k.a. Micro X-ray CT, give proper field of view to cover complete vision of porous materials, including cracks in the MPL. The enhancement of the transport of liquid water and reactant gases in polymer electrolyte membrane fuel cells (PEMFCs) is a critical subject that has been greatly studied due to its critical importance to fuel cell performance at high current densities.1-3 The liquid transport and the concurrent two-phase flow in the gas diffusion layer (GDL) and micro porous layer (MPL) are the most widely studied. In general GDL materials for PEMFCs are made of carbon fiber based cloths and paper. These materials are typically porous to allow for the transport of reactant gases to the catalyst layer as well as transport of condensed water from the catalyst layer. To accelerate the removal of liquid water, GDLs are usually impregnated with non-wetting polymer such as polytetrafluoroethylene (PTFE) to create hydrophobic characteristics. Further, a thin MPL which consists of carbon powder and polymer binders is applied to the GDL side facing the catalyst layer in the membrane electrode assembly (MEA) to further increase cell performance and mechanical stability. The complex structural and chemical heterogeneity of the GDL and MPL make studying the transport of liquid water and obtaining the solution for mass transport losses substantially complicated. 4,5 Many researchers have studied the transport of liquid water through the GDL and MPL in order to develop an understanding of the resistance of reactant gas transport due to water accumulation.6-27 These included the observation of vapor condensation and liquid breakthrough in a GDL using an environmental scanning electron microscope (SEM).13,14 They proposed a treelike transport mechanism in which micro-droplets condensed from vapor agglomerate to form macro-droplets which even...

X-ray computed tomography study of operating a PEM electrolyzer shows a catalyst coated membrane configuration, more uniform electrocatalyst distribution and better performance.