Numerical simulation of liquid water emerging and transport in the flow channel of PEMFC using the volume of fluid method

Three-dimensional numerical simulation of liquid water emerging from the gas diffusion layer (GDL) surface to the gas flow channel in the proton exchange membrane (PEM) fuel cell (PEMFC) is carried out using the volume of fluid (VOF) method. The effects of the water velocity in the GDL hole, the airflow velocity and the wettability of the channel surfaces on the water emerging process and transport in the flow channel are investigated. It is found that at low water velocity, the water detaches from the water hole, forming discrete water droplets on the GDL surface, and is transported downstream on the GDL surface until removed from the GDL surface by the U-turn part of the flow channel; whereas at high water velocity, the continuous water column impinges the hydrophilic channel surface counter to the GDL surface, being directly removed from the GDL surface. The airflow velocity affects water detachment and impact process in the channel corner, and water droplet breakup is observed under high airflow velocity. The channel surface wettability influences water droplet shape and its transport in the channel. Rather than forming corner water films at the U-turn for hydrophilic channel surface, water maintains the droplet shape and smoothly passes through the U-turn for hydrophobic channel surface. The importance of the U-turn to the water removal is also discussed. The U-turn promotes water removal from the GDL surface at low water velocity and water breakup at high airflow velocity.     

Lattice Boltzmann simulations of liquid droplet dynamic behavior on a hydrophobic surface of a gas flow channel

Using the multiphase free-energy lattice Boltzmann method (LBM), the formation of a water droplet emerging through a micro-pore on the hydrophobic gas diffusion layer (GDL) surface in a proton exchange membrane fuel cell (PEMFC) and its subsequent movement on the GDL surface under the action of gas shear are simulated. The dynamic behavior of the water droplet emergence, growth, detachment and movement in the gas flow channel is presented. The size of the detached droplet and the time of the droplet removing out of the channel under the influence of gas flow velocity and GDL surface wettability are investigated. The results show that water droplet removal is facilitated by a high gas flow velocity on a more hydrophobic GDL surface. A highly hydrophobic surface is shown to be capable of lifting the water droplet from the GDL surface, resulting in more GDL surface available for gas reactant transport. Furthermore, an analytical model based on force balance is presented to predict the droplet detachment size, and the predicted results are in good agreement with the simulation results. It is shown that the LBM approach is an effective tool to investigate water transport phenomena in the gas flow channel of PEMFCs with surface wettability taken into consideration.     

Effect of wettability on water removal from the gas diffusion layer surface in a novel proton exchange membrane fuel cell flow channel

Effective water removal from the proton exchange membrane fuel cell (PEMFC) surface exposed to the flow channel is critical to the operation and water management in PEMFCs. In this study, the water removal process is investigated numerically for a novel flow channel formed by inserting a hydrophilic needle in the conventional PEMFC flow channel, and the effect of the surface wettability of the membrane electrode assembly (MEA) and the inserted needle on the water removal process is studied. The results show that the liquid water can be more effectively removed from the MEA surface for larger MEA surface contact angles and smaller needle surface contact angles. The pressure drop for the flow in the channel is also examined and it is seen to be indicative of the liquid water flow and transport in the flow channel, suggesting that pressure drop is a useful parameter for the investigation of water transport and dynamics in the flow channel.     

Numerical investigation of water droplet removal characteristics in novel block channels of PEMFC using dynamic wettability model

Liquid water transport and removal is one of the critical issues in the proton exchange membrane fuel cell (PEMFC) for achieving good performance and durability. In this study, two novel channels with different blocks are designed to study their effects on water removal using the volume of fluid (VOF) model considering the dynamic contact angle effect. It is found that compared with the conventional straight channel, both the one-block and two-block channels can promote liquid water removal. The one-block channel leads to faster water movement and removal on the gas diffusion layer (GDL) surface, but results in a much higher pressure drop. The separated two-block channel directly drags water away from the GDL surface by the capillary wicking effect of the block surface, achieving both faster water removal and smaller pressure drop. Effects of the droplet size, air velocity and static contact angle of GDL surface on water removal are investigated comprehensively in both the novel channels, as well as the conventional straight channel, with particular attention on the variations of water removal time, water coverage ratio and pressure drop.     

Numerical simulation of two‐phase cross flow in the gas diffusion layer microstructure of proton exchange membrane fuel cells

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.     

Three dimensional numerical simulation of gas-liquid two-phase flow patterns in a polymer-electrolyte membrane fuel cells gas flow channel

Water management in polymer-electrolyte membrane fuel cells (PEMFCs) has a major impact on fuel cell performance and durability. To investigate the two-phase flow patterns in PEMFC gas flow channels, the volume of fluid (VOF) method was employed to simulate the air-water flow in a 3D cuboid channel with a 1.0 mm × 1.0 mm square cross section and a 100 mm in length. The microstructure of gas diffusion layers (GDLs) was simplified by a number of representative opening pores on the 2D GDL surface. Water was injected from those pores to simulate water generation by the electrochemical reaction at the cathode side. Operating conditions and material properties were selected according to realistic fuel cell operating conditions. The water injection rate was also amplified 10 times, 100 times and 1000 times to study the flow pattern formation and transition in the channel. Simulation results show that, as the flow develops, the flow pattern evolves from corner droplet flow to top wall film flow, then annular flow, and finally slug flow. The total pressure drop increases exponentially with the increase in water volume fraction, which suggests that water accumulation should be avoided to reduce parasitic energy loss. The effect of material wettability was also studied by changing the contact angle of the GDL surface and channel walls, separately. It is shown that using a more hydrophobic GDL surface is helpful to expel water from the GDL surface, but increases the pressure drop. Using a more hydrophilic channel wall reduces the pressure drop, but increases the water residence time and water coverage of the GDL surface.     

Three-dimensional numerical simulations of water droplet dynamics in a PEMFC gas channel

The dynamic behavior of liquid water emerging from the gas diffusion layer (GDL) into the gas flow channel of a polymer electrolyte membrane fuel cell (PEMFC) is modeled by considering a 1000 μm long air flow microchannel with a 250 μm × 250 μm square cross section and having a pore on the GDL surface through which water emerges with prescribed flow rates. The transient three-dimensional two-phase flow is solved using Computational fluid dynamics in conjunction with a volume of fluid method. Simulations of the processes of water droplet emergence, growth, deformation and detachment are performed to explicitly track the evolution of the liquid–gas interface, and to characterize the dynamics of a water droplet subjected to air flow in the bulk of the gas channel in terms of departure diameter, flow resistance coefficient, water saturation, and water coverage ratio. Parametric simulations including the effects of air flow velocity, water injection velocity, and dimensions of the pore are performed with a particular focus on the effect of the hydrophobicity of the GDL surface while the static contact angles of the other channel walls are set to 45°. The wettability of the microchannel surface is shown to have a major impact on the dynamics of the water droplet, with a droplet splitting more readily and convecting rapidly on a hydrophobic surface, while for a hydrophilic surface there is a tendency for spreading and film flow formation. The hydrophilic side walls of the microchannel appear to provide some benefit by lifting the attached water from the GDL surface, thus freeing the GDL-flow channel interface for improved mass transfer of the reactant. Higher air inlet velocities are shown to reduce water coverage of the GDL surface. Lower water injection velocities as well as smaller pore sizes result in earlier departure of water droplets and lower water volume fraction in the microchannel.     

Numerical investigations on liquid water removal from the porous gas diffusion layer by reactant flow

Water removal from the gas diffusion layer (GDL) is crucial for the efficient operation of proton exchange membrane (PEM) fuel cell. Static pressure gradient caused by the fast reactant flow in the flow channel is one of the main mechanisms of water removal from GDL. Reactant can leak or cross directly to the neighboring channel via the porous GDL in the cells with serpentine flow channel and many of its modifications. Such cross flow plays an important role for the removal of liquid water accumulated in the GDL especially under land area. To investigate the characteristics of liquid water behavior in the GDL under pressure gradient, the fibrous porous structure of the carbon paper is modeled by three dimensional impermeable cylinders randomly distributed in the in-plane directions and unsteady two-phase simulations are conducted. It is shown that the permeability from the numerical model matches well the experimental measurements of the common GDLs in the literature. The contact angle and pressure gradient are the key parameters that determine the initiation and the process of liquid water transport in the GDL which is initially wet with stagnant liquid water. It has been observed that the larger contact angle results in faster water removal from the GDL. Numerical simulations are performed for a wide range of pressure gradient with different contact angles to determine the minimum pressure gradient that initiates the liquid water transport in the GDL. It is found that the amount of pressure gradient caused by the cross flow is sufficient and effective to get rid of the liquid water accumulated in the GDL. The simulation results are also compared with experimental data in literature showing a good agreement. The characteristics of liquid water discharging from the gas diffusion layer are also described.     

Numerical study of two-phase flow patterns in the gas channel of PEM fuel cells with tapered flow field design

In this study the air–water two-phase flow in a tapered channel of a PEMFC was numerically simulated using the volume of fluid (VOF) method. In particular, a 3D mathematical model of the fuel cell flow channel was used to obtain a reliable evaluation of the fuel cell performance for different taper angles and different temperatures and to calculate the total amount of water produced. This information was then used as boundary conditions to simulate the two-phase flow in the cell channel through a 2D VOF model. Typical operating conditions were assigned and the numerical mesh was constructed to represent the real fuel cell configuration. The results show that tapering the channel downstream enhances the water removal due to increased airflow velocity. In the rectangular channel no film formation is noted with a marked predominance of slug flow. In contrast, as the taper angle is increased the predominant two-phase flow pattern is film flow. Finally many contact angles have been used to simulate the effect of the hydrophobicity of a GDL surface on the motion of the water. As the hydrophobicity of a GDL surface is decreased the presence of film is more evident even for less tapered channels.     

Water transport in the gas diffusion layer of proton exchange membrane fuel cell under vibration conditions

Fuel cell vehicles face complicated road conditions, which may impact on the output performance of fuel cell stacks. In the present study, the water transport in the gas diffusion layer (GDL) of proton exchange membrane fuel cell (PEMFC) under vibration conditions are investigated. A stochastic method is employed to reconstruct the 3-D GDL with experimentally validated varying porosities. The volume of fluid (VOF) method is adopted to investigate the two-phase problems. Sinusoidal vibration source terms are superposed, which can vary with required amplitudes and directions. Over time, the water transport process takes three steps: water intrusion, water accumulation, and water removal. The water intrusion tends to start from the sides of the GDL, then spreads into the central area. Compared with the no-vibration case, the water saturations are higher in both the vertical and horizontal vibration cases. The vibration will enhance the water transport through GDL layers. As such, the higher the vibration amplitude and frequency, the larger the water saturation. Accordingly, the water saturation of the GDL vary sinusoidally over time. The water breakthrough paths are identified and compared during the water removal processes. Vibration in the horizontal direction is much easier to promote the water transport inside a layer compared with vibration in the vertical direction. More substantial water saturation in the GDL layers will restrict the gas transfer paths. Consequently, less oxygen will participate in the reaction, which will further impact on the fuel cell performance.     

Two-phase transport in the cathode gas diffusion layer of PEM fuel cell with a gradient in porosity

Two-phase transport in the cathode gas diffusion layer (GDL) of a proton exchange membrane fuel cell (PEMFC) is studied with a porosity gradient in the GDL. The porosity gradient is formed by adding micro-porous layers (MPL) with different carbon loadings on the catalyst layer side and on the flow field side. The multiphase mixture model is employed and a direct numerical procedure is used to analyze the profiles of liquid water saturation and oxygen concentration across the GDL as well as the resulting activation and concentration losses. The results show that a gradient in porosity will benefit the removal rate of liquid water and also enhance the transport of oxygen through the cathode GDL. The present study provides a theoretical support for the suggestion that a GDL with porosity gradient will improve the cell performance.     

Effect of hydrophilic pipe structure of proton exchange membrane fuel cell on water removal from the gas diffusion layer surface

In a proton exchange membrane fuel cell (PEMFC), effective GDL surface water elimination is significant to water management. This paper used the volume-of-fluid method (VOF) method to carry out simulation research on transferring liquid water in the flow channel with a hydrophilic pipe. The findings indicated that compared with a straight channel, a hydrophilic pipe structure could effectively remove water from the gas diffusion surface (GDL) and reduce the surface water coverage of the GDL. With the increase in the diameter and height of the pipe structure, the GDL surface's water coverage first increased and then decreased, and it was less with the pipe structure than with the direct flow channel. The removal rate of water on the GDL surface was accelerated. The spacing of hydrophilic pipes has a significant impact on the transportation of water. As the spacing increases, the removal rate of water on the GDL surface slowed. A hydrophilic pipe structure with a diameter of 75 μm, a height of 400 μm, and spacing of 300 μm has good water removal performance on the GDL surface. This research work proposes a new internal structure design of the flow channel, which has specific implications for removing water on the GDL surface.     

Numerical investigation of drop dynamics in presence of wettability gradient inside a serpentine channel of proton exchange membrane fuel cell

Water management significantly affects the performance of a proton exchange membrane fuel cell (PEMFC). Therefore, interest is felt to numerically investigate water droplet movement and slug formation inside the microchannel (gas) of PEMFC. Two important parameters—water coverage ratio and pressure drop have been studied in detail. A U-shaped geometry with a round corner is used for this purpose. 3D unsteady-state models are used to study the drop dynamics using commercial CFD software ANSYS FLUENT 18. For tracking of water drop dynamics, the volume of fluid model is used. Two different situations are simulated. In the first case, the investigation of hydrodynamics of the 0.4 mm drop adhered to the surface of the gas diffusion layer (GDL) has been done. In the second case, simulation of air-water slug flow has been done. GDL surfaces at upstream and downstream of bend are modified using user-defined functions, such that the GDL surface has a dynamic contact angle with respect to the direction of flow. This makes it a continuously hydrophilic surface at upstream and continuously hydrophobic surface at downstream with respect to the direction of flow. The impact of GDL wettability on water retention and removal has been discussed. It is noted that the presence of a gradient facilitates the removal of water drop adhered to the GDL surface. For the case of a suspended drop with an increase of 1°/mm in the magnitude of the gradient, a decrease of 30% is observed in water coverage ratio and pressure drop observed in the channel. Such modified surfaces aids in the conversion of slugs to film at the downstream of bend that reduces maldistribution. The pressure fluctuations and average pressure drop are reduced by 66% when subjected to the aforementioned hybrid gradient.     

Thermal and electrochemical performance analysis of a proton exchange membrane fuel cell under assembly pressure on gas diffusion layer

In this study, the effect of clamping pressure on the performance of a proton exchange membrane fuel cell (PEMFC) is investigated for three different widths of channel. The deformation of gas diffusion layer (GDL) due to clamping pressure is modeled using a finite element method, and the results are applied as inputs to a CFD model. The CFD analysis is based on finite volume method in non-isothermal condition. Also, a comparison is made between three cases to identify the geometry that has the best performance. The distribution of temperature, current density and mole fraction of oxygen are investigated for the geometry with best performance. The results reveal that by decreasing the width of channel, the performance of PEMFC improves due to increase of flow velocity. Also, it is found that intrusion of GDL into the gas flow channel due to assembly pressure deteriorates the PEMFC performance, while decrease of GDL thickness and GDL porosity have smaller effects. It is shown that assembly pressure has a minor effect on temperature profile in the membrane-catalyst interface at cathode side. Also, assembly pressure has a significant effect on ohmic and concentration losses of PEMFC at high current densities.     

Simulation on water transportation in gas diffusion layer of a PEM fuel cell: Influence of non-uniform PTFE distribution

Proton exchange membrane fuel cells (PEMFCs) are promising clean power sources with high energy conversion efficiency, fast startup, and no pollutant emission. The generated water in the cathode can cause water flooding of the catalyst layer (CL), which in turn can significantly decrease the fuel cell performance. To address this significant issue of PEMFC, a new gas diffusion layer (GDL) with non-uniform distribution of PTFE is proposed for water removal from the CL. The feasibility of this new GDL design is numerically evaluated by a Lattice-Boltzmann Method (LBM)-based two-phase flow model. The porous structure of the new GDL design is numerically reconstructed, followed by LBM simulations of the water transport in GDL. Three types of different wetting conditions are considered. It is found that liquid water transported 7.87% more with a single row of wetted solids and 13.36% more with two rows of wetted solids. The results clearly demonstrate that the liquid water can be effectively removed from the GDL by proper arrangement of hydrophilic solids in the GDL.     

Dynamic behaviour of liquid water emerging from a GDL pore into a PEMFC gas flow channel

A numerical investigation of the dynamic behaviour of liquid water entering a polymer electrolyte membrane fuel cell (PEMFC) channel through a GDL pore is reported. Two-dimensional, transient simulations employing the volume of fluid (VOF) method are performed to explicitly track the liquid–gas interface, and to gain understanding into the dynamics of a water droplet subjected to air flow in the bulk of the gas channel. The modeled domain consists of a straight channel with air flowing from one side and water entering the domain from a pore at the bottom wall of the channel. The channel dimensions, flow conditions and surface properties are chosen to be representative of typical conditions in a PEMFC. A series of parametric studies, including the effects of channel size, pore size, and the coalescence of droplets are performed with a particular focus on the effect of geometrical structure. The simulation results and analysis of the time evolution of flow patterns show that the height of the channel as well as the width of the pore have significant impacts on the deformation and detachment of the water droplet. Simulations performed for droplets emerging from two pores with the same size into the channel show that coalescence of two water droplets can accelerate the deformation rate and motion of the droplets in the microchannel. Accounting for the initial connection of a droplet to a pore was found to yield critical air inlet velocities for droplet detachment that are significantly different from previous studies that considered an initially stagnant droplet sitting on the surface. The predicted critical air velocity is found to be sensitive to the geometry of the pore, with higher values obtained when the curvature associated with the GDL fibres is taken into account. The critical velocity is also found to decrease with increasing droplet size and decreasing GDL pore diameter.     

Interface resolving two-phase flow simulations in gas channels relevant for polymer electrolyte fuel cells using the volume of fluid approach

With the increased concern about energy security, air pollution and global warming, the possibility of using polymer electrolyte fuel cells (PEFCs) in future sustainable and renewable energy systems has achieved considerable momentum. A computational fluid dynamic model describing a straight channel, relevant for water removal inside a PEFC, is devised. A volume of fluid (VOF) approach is employed to investigate the interface resolved two-phase flow behavior inside the gas channel including the gas diffusion layer (GDL) surface. From this study, it is clear that the impact on the two-phase flow pattern for different hydrophobic/hydrophilic characteristics, i.e., contact angles, at the walls and at the GDL surface is significant, compared to a situation where the walls and the interface are neither hydrophobic nor hydrophilic (i.e., 90° contact angle at the walls and also at the GDL surface). A location of the GDL surface liquid inlet in the middle of the gas channel gives droplet formation, while a location at the side of the channel gives corner flow with a convex surface shape (having hydrophilic walls and a hydrophobic GDL interface). Droplet formation only observed when the GDL surface liquid inlet is located in the middle of the channel. The droplet detachment location (along the main flow direction) and the shape of the droplet until detachment are strongly dependent on the size of the liquid inlet at the GDL surface. A smaller liquid inlet at the GDL surface (keeping the mass flow rates constant) gives smaller droplets.     

Effect of surface dynamic wettability in proton exchange membrane fuel cells

It is known that the static contact angle reflecting the “contact area” between liquid and solid is insufficient to represent the dynamic wettability of a solid surface, and another parameter called the sliding angle is needed to describe the relative easiness of liquid moving on a solid surface. However, sliding angle has been largely neglected in the previous studies for proton exchange membrane fuel cell (PEMFC). In this study, three-dimensional multiphase simulations are carried out for a PEMFC with single straight flow channels considering both the static contact angles and sliding angles of gas diffusion layer (GDL) and catalyst layer (CL). The results show that the liquid water volume fraction in cathode CL (CCL) and GDL (CGDL) can be increased by several times when the sliding angle is increased while the static contact angle is kept constant. This could have significant implication on the water management strategy due to the considerable changes in the water transport and removal processes. Since GDL is much thicker than CL, changing the surface dynamic wettability of GDL has more significant effect on liquid water transport than changing the surface dynamic wettability of CL.     

PEMFC碳纸气体扩散层内气液两相流格子Boltzmann模拟

为了提高质子交换膜燃料电池（PEMFC）水管理,本文借助多相流格子Boltzmann模型（LBM）模拟分析了PEMFC碳纸气体扩散层（GDL）内的气液两相输运过程,主要研究了GDL疏水性对气液两相流的影响。结果表明：液态水流路径不仅受到GDL结构形态的影响,而且受到材料疏水性影响。液态水在疏水性弱的GDL中不仅容易沁入,而且容易在孔隙中达到饱和;相反,在疏水性较强的GDL中,液态水很难突破沁入小尺寸孔隙,而从孔径较大的孔隙流通,从而形成毛细力主导的指进流动。