Summary A three‐dimensional (3D) multi‐phase numerical model of proton exchange membrane fuel cell (PEMFC) is built. The catalyst layer (CL) spherical agglomerate model is used to replace traditional homogenous model, which can predict the concentration loss in PEMFC more accurately. Utilizing this multi‐phase model, the PEMFC with 3D fine mesh flow field is investigated at length, and the liquid water distribution in 3D flow field is qualitatively compared with the experimental image in previous literature. It is found that the 3D fine mesh flow field can improve the reactant gas supply from flow field to porous electrodes significantly and facilitate liquid water removal in PEMFC simultaneously. Therefore, it reduces the concentration loss of PEMFC effectively without increasing the pumping power loss thanks to the greatly increased mass transfer area between gas diffusion layer (GDL) and flow field and vertical flow design of hydrogen and air, which also make the reaction rate distribution in CL more uniform. However, the decreased contact area between GDL and bipolar plate in 3D flow field may decrease PEMFC performance at the current densities where ohmic loss is dominated, but its effect is insignificant.

Summary The cross flow in the under‐land gas diffusion layer (GDL) between 2 adjacent channels plays an important role on water transport in proton exchange membrane fuel cell. A 3‐dimensional (3D) two‐phase model that is based on volume of fluid is developed to study the liquid water‐air cross flow within the GDL between 2 adjacent channels. By considering the detailed GDL microstructures, various types of air‐water cross flows are investigated by 3D numerical simulation. Liquid water at 4 locations is studied, including droplets at the GDL surface and liquid at the GDL‐catalyst layer interface. It is found that the water droplet at the higher‐pressure channel corner is easier to be removed by cross flow compared with droplets at other locations. Large pressure difference Δp facilitates the faster water removal from the higher‐pressure channel. The contact angle of the GDL fiber is the key parameter that determines the cross flow of the droplet in the higher‐pressure channel. It is observed that the droplet in the higher‐pressure channel is difficult to flow through the hydrophobic GDL. Numerical simulations are also performed to investigate the water emerging process from different pores of the GDL bottom. It is found that the amount of liquid water removed by cross flow mainly depends on the pore's location, and the water under the land is removed entirely into the lower‐pressure channel by cross flow.

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This paper proposes a three-dimensional (3D) volume of fluid (VOF) study to investigate two-phase flow in the gas diffusion layer (GDL) of proton exchange membrane (PEM) fuel cells and liquid water distribution. A stochastic model was adopted to reconstruct the 3D microstructures of Toray carbon papers and incorporate the experimentally-determined varying porosity. The VOF predictions were compared with the water profiles obtained by the X-ray tomographic microscopy (XTM) and the Leverett correlation. It was found local water profiles are similar in the sample's sub-regions under the pressure difference p = 1000 Pa between the two GDL surfaces, but may vary significantly under p = 6000 Pa. The water-air interfaces inside the GDL structure were presented to show water distribution and breakthrough.

Liquid water transport in perforated gas diffusion layers (GDLs) is numerically investigated using a threedimensional (3D) two-phase volume of fluid (VOF) model and a stochastic reconstruction model of GDL microstructures. Different perforation depths and diameters are investigated, in comparison with the GDL without perforation. It is found that perforation can considerably reduce the liquid water level inside a GDL. The perforation diameter (D = 100 lm) and the depth (H = 100 lm) show pronounced effect. In addition, two different perforation locations, i.e. the GDL center and the liquid water breakthrough point, are investigated. Results show that the latter perforation location works more efficiently. Moreover, the perforation perimeter wettability is studied, and it is found that a hydrophilic region around the perforation further reduces the water saturation. Finally, the oxygen transport in the partially-saturated GDL is studied using an oxygen diffusion model. Results indicate that perforation reduces the oxygen diffusion resistance in GDLs and improves the oxygen concentration at the GDL bottom up to 101% (D = 100 lm and H = 100 lm).

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