Three‐dimensional simulation of water droplet movement in PEM fuel cell flow channels with hydrophilic surfaces

Water management is one of the critical issues in proton exchange membrane fuel cells, and proper water management requires effective removal of liquid water generated in the cathode catalyst layer, typically in the form of droplets through cathode gas stream in the cathode flow channel. It has been reported that a hydrophilic channel sidewall with a hydrophobic membrane electrode assembly (MEA) surface would have less chance for water accumulation on the MEA surface. Therefore, a comprehensive study on the effect of surface wettability properties on water droplet movement in flow channels has been conducted numerically. In this study, the water droplet movements in a straight flow channel with a wide range of hydrophilic surface properties and effects of inlet air velocities are analyzed by using three‐dimensional computational fluid dynamics method coupled with the volume‐of‐fluid (VOF) method for liquid–gas interface tracking. The results show that the water droplet movement is greatly affected by the channel surface wettability and air flow conditions. With low contact angle, droplet motion is slow due to more liquid–wall contact area. With high air flow velocities, increasing the contact angle of the channel surface results in faster liquid water removal due to lesser liquid–wall contact area. Copyright © 2010 John Wiley & Sons, Ltd.     

Effects of hydrophilic/hydrophobic properties of gas flow channels on liquid water transport in a serpentine polymer electrolyte membrane fuel cell

The droplet dynamics in the serpentine flow channel of a hydrogen fuel cell has been numerically investigated to obtain ideas for designing a serpentine channel with the aim of effectively preventing flooding. Three-dimensional two-phase flow simulations employing the volume of fluid (VOF) method have been performed. Liquid droplets emerging from four adjacent pores at the hydrophobic bottom wall are subjected to airflow in the bulk of the serpentine flow channel. The effects of contact angle variation of the channel walls on liquid water removal have been tested in terms of liquid water saturation and coverage of liquid water on the gas diffusion layer (GDL) surface. The numerical results show that the hybrid case, which consists of hydrophilic channel walls at the straight part and hydrophobic walls at the turning part of the serpentine flow channels, enhances water removal compared with two other cases in which the channel wall is homogeneously hydrophilic or hydrophobic. The three-dimensional visualization of liquid water droplets reveals that the hydrophobic wall at the turning part reduces the water saturation in the channel and the hydrophilic wall at the straight part prevents the liquid water from covering the GDL surface.     

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.     

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.     

Water dynamics inside a cathode channel of a polymer electrolyte membrane fuel cell

The present study focuses on the investigation of water dynamics inside a polymer electrolyte membrane fuel cell using two different modelling approaches: Eulerian two-phase mixture and volume of fluid interface tracking models. The Eulerian two-phase mixture model has provided overall information of species distribution inside a fuel cell and identified that the liquid water usually accumulates under the land area. The volume of fluid interface tracking model has then been implemented to investigate the emergence of water droplets from the gas diffusion layer into the cathode channel and the subsequent removal of water from the channel. Further, the effects of the location of water emergence in the cathode channel on the dynamic behavior of liquid water have been investigated. The present study shows that the water emerging into the channel near the side walls greatly reduces the surface water coverage of the channel. In order to control the water path into the channel near side walls, a further discussion has been provided that a gas diffusion layer design based on hydrophilic fibres distributed inside a hydrophobic fibre matrix could provide a precisely controlled water path through the gas diffusion layer.     

Development of a novel hydrophobic/hydrophilic double micro porous layer for use in a cathode gas diffusion layer in PEMFC

In this study, a gas diffusion layer (GDL) was modified to improve the water management ability of a proton exchange membrane fuel cell (PEMFC). We developed a novel hydrophobic/hydrophilic double micro porous layer (MPL) that was coated on a gas diffusion backing layer (GDBL). The water management properties, vapor and water permeability, of the GDL were measured and the performance of single cells was evaluated under two different humidification conditions, R.H. 100% and 50%. The modified GDL, which contained a hydrophilic MPL in the middle of the GDL and a hydrophobic MPL on the surface, performed better than the conventional GDL, which contained only a single hydrophobic MPL, regardless of humidity, where the performance of the single cell was significantly improved under the low humidification condition. The hydrophilic MPL, which was in the middle of the modified GDL, was shown to act as an internal humidifier due to its water absorption ability as assessed by measuring the vapor and water permeability of this layer.     

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.     

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.     

Dynamic behavior of liquid water transport in a tapered channel of a proton exchange membrane fuel cell cathode

A numerical model of a proton exchange membrane fuel cell (PEMFC) cathode with a tapered channel design has been developed in order to examine the dynamic behavior of liquid water transport. Three-dimensional, transient simulations employing the level-set method (available in COMSOL 3.5a, a commercial finite element method software) have been used to explicitly track the liquid-gas interface. A liquid water droplet suspended in the center of the channel, 2 mm from the channel entrance, is subjected to airflow in the bulk of the channel. Three different cases have been studied: 1) hydrophobic bottom wall representing the gas diffusion layer and hydrophilic channel top and side walls, 2) all walls are partially wetted i.e. having a contact angle of 90°, 3) a hydrophilic bottom wall and hydrophobic top and side walls. The results show that tapering the channel downstream helps in water exhaust due to increased airflow velocity. A bottom wall, although hydrophilic, results in fast removal of water droplet as compared to partially wetted and hydrophobic bottom surfaces.     

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.     

Effect of anode diffusion layer fabricated with mesoporous carbon on the performance of direct dimethyl ether fuel cell

In this study, we present the novel membrane electrode assembly (MEA) for direct dimethyl ether fuel cell (DDFC). The anode gas diffusion layer (AGDL) of the MEA is fabricated with mesoporous carbon to facilitate the anode mass transport and enhance the performance of DDFC. The major differences of mesoporous carbon AGDL (MAGDL) and XC-72 AGDL (XAGDL) are the BET surface, the pore volume, and the pore size distribution. The MAGDL provides many more passageways for mass transport than XAGDL. The MAGDL possesses hydrophilic small and hydrophobic middle pores, which benefit the liquid and gas transport simultaneously. The maximum power density of DDFC increases by 20% when using MAGDL instead of XAGDL at 60 °C. The electrochemical measurements indicate that the promotion of the anode two-phase mass transport is the main reason for the significant improvement of DDFC performance.     

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.     

Sublayers for Pt catalyst electrodeposition electrodes in PEMFC

The effect of sublayers on the deposited platinum (Pt) catalyst layer fabricated by electrodeposition, and on the resulting fuel cell performance, was investigated. The substrate was prepared by applying a hydrophobic sublayer, composed of polytetrafluoroethylene (PTFE) and carbon black, and a hydrophilic sublayer, composed of Nafion and glycerol, onto an uncatalyzed gas diffusion layer prior to the electrodeposition of the Pt catalyst. The hydrophilic sublayer was found to play a substantial role in the Pt electrodeposition, since the structure of the resultant Pt catalyst significantly depended on the presence of the hydrophilic sublayer, the total loading amount and the Nafion to glycerol weight ratio, which in turn affected the fuel cell performance. The hydrophobic sublayer, which did not directly contact with the plating solution, did not show as marked an effect on the Pt deposit structure compared to that of the hydrophilic sublayer, except at high PTFE to carbon black weight ratios (≥70:30). However, the suitable PTFE to carbon black weight ratio in the hydrophobic sublayer was still important for the water management, mass transport of reactant gases and ohmic resistance of the membrane electrode assembly (MEA) during fuel cell operation. In this study, a total hydrophilic loading of 0.8 mg cm⁻² with a Nafion to glycerol weight ratio of 50:50, and a PTFE to carbon black weight ratio in the hydrophobic sublayer of 30:70 was found to yield the best Pt catalyst layer for PEMFC.     

Preparation of hydrophobic electrocatalyst layer and inorganic porous electrolyte layer for water absorbing porous electrolyte electrolysis cell

A water-absorbing porous electrolyte electrolysis cell is presented consisting of a hydrophobic gas diffusion layer (GDL), a controlled-hydrophobicity electrocatalyst layer, and a hydrophilic porous electrolyte layer. The specific character of this cell is that high-pressure water is injected directly into the porous electrolyte layer and is resisted by the electrocatalyst layer and GDL, which have strong water support force. In this study, the preparation method of the electrocatalyst layer and the porous inorganic electrolyte layer, and the evaluation of water electrolysis using the prepared layers were investigated. The optimized conditions and preparation methods of each layer of the MEA (i.e. the GDL, electrocatalyst layer, electrolyte layer) were determined. The assembly method and conditions of these three layers were also determined for fabricating MEAs for water electrolysis. The evaluation of water electrolysis tests using this MEA showed that the hydrogen evolution rate obeyed Faraday's Law in the low current density region (<10 mA cm^?2).     

Effects of needle orientation and gas velocity on water transport and removal in a modified PEMFC gas flow channel having a hydrophilic needle

Water management is critical to the performance and operation of the proton exchange membrane fuel cell (PEMFC). Effective water removal from the gas diffusion layer (GDL) surface exposed to the gas flow channel in PEMFC mitigates the water flooding of and improves the reactants transport into the GDL, hence benefiting the PEMFC performance. In this study, a 3D numerical investigation of water removal from the GDL surface in a modified PEMFC gas flow channel having a hydrophilic needle is carried out. The effects of the needle orientation (inclination angle) and gas velocity on the water transport and removal are investigated. The results show that the water is removed from the GDL surface in the channel for a large range of the needle inclination angle and gas velocity. The water is removed more effectively, and the pressure drop for the flow in the channel is smaller for a smaller needle inclination angle. It is also found that the modified channel is more effective and viable for water removal in fuel cells operated at smaller gas velocity.     

Effect of wettability heterogeneity and compression on liquid water transport in gas diffusion layer coated with microporous layer of PEMFC

This study applied the pseudo-potential Lattice Boltzmann method (LBM) for investigating liquid water transport in the microporous layer (MPL) and gas diffusion layer (GDL) of polymer electrolyte fuel cell. The MPL and GDL reconstruction is performed by using a stochastic method. Unlike previous studies that examined the GDL as two distinct layers of hydrophilic and hydrophobic, this study considered the wettability heterogeneity. In the present study, some of the carbon fibers in the GDL are randomly considered hydrophilic. Moreover, liquid water transport in the compressed and uncompressed GDL with different hydrophilic fibers percentage are compared. The effect of hydrophilic fibers percentage and the compression ratio of the GDL on the liquid water saturation level, the steady-state time, and the formation and growth of droplets in the gas channel (GC) are investigated. The results indicated that more than 10% of hydrophilicity of the fibers lead to the formation of discontinuous water clusters. This phenomenon increased the steady-state time and water saturation level significantly. The simulation showed that compression increased the number of discontinuous water clusters in the GDL. The obtained results demonstrated that the hydrophilic fibers may have positive or negative effects on water transport in the GDL due to their location. In addition, this study indicated that for 10% of hydrophilic fibers with 10% compression, water saturation level and time required to reach steady-state decreased by 5.2% and 22% respectively compared to purely hydrophobic GDL.     

Numerical study of water management in the air flow channel of a PEM fuel cell cathode

The water management in the air flow channel of a proton exchange membrane (PEM) fuel cell cathode is numerically investigated using the FLUENT software package. By enabling the volume of fraction (VOF) model, the air–water two-phase flow can be simulated under different operating conditions. The effects of channel surface hydrophilicity, channel geometry, and air inlet velocity on water behavior, water content inside the channel, and two-phase pressure drop are discussed in detail. The results of the quasi-steady-state simulations show that: (1) the hydrophilicity of reactant flow channel surface is critical for water management in order to facilitate water transport along channel surfaces or edges; (2) hydrophilic surfaces also increase pressure drop due to liquid water spreading; (3) a sharp corner channel design could benefit water management because it facilitates water accumulation and provides paths for water transport along channel surface opposite to gas diffusion layer; (4) the two-phase pressure drop inside the air flow channel increases almost linearly with increasing air inlet velocity.     

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.     

Design of a deflected membrane electrode assembly for PEMFCs

Simulations were performed of a proton exchange membrane fuel cell (PEMFC) in which the membrane electrode assembly (MEA) was deflected such that the adjacent shoulders of the channel assembly were at different heights. The effect on cell performance of varying the MEA deflection was examined while maintaining the same reacting area and boundary conditions at high operating current densities. A three-dimensional, non-isothermal model was employed with a single straight channel. Both humidification and phase transportation were included in the model to obtain the total water management for systems operating at different current densities. The cell performance was found to increase significantly at a certain, optimal deflection. The cathode overpotential decreased significantly with increasing MEA deflection as the reactants became more evenly distributed over the reacting area. A preliminary investigation of the deflection behavior of different MEA materials under clamping pressures taken from the literature indicated that MEA materials can be deflected up to the optimal deflection condition provided the clamping pressure is within the elastic limit of the gas diffusion electrode (GDE).     

Characterization of transport properties in gas diffusion layers for proton exchange membrane fuel cells: 1. Wettability (internal contact angle to water and surface energy of GDL fibers)

This is the first in a series of papers in which we present state-of-the-art methods demonstrated at Case for the estimation of transport properties in gas diffusion layers (GDLs) for proton exchange membrane fuel cells (PEMFCs). Most of the methods used today for measuring wettability properties of GDLs are related to the external contact angle to water. The external contact angle however does not describe adequately capillary forces acting on the water inside the GDL pores. We show as well that the direct method of estimation of the internal contact angle using goniometry on micrographs is impractical. We propose and describe in this paper a method for estimating the internal contact angle to water and the surface energy of hydrophobic and hydrophilic gas diffusion media. The method was applied to GDLs having different contents of hydrophobic agent and carbon types. The method can be applied separately to different components of the GDL including macro-porous substrates and micro-porous layers. The uncertainty estimates using this method are usually within 3% of the measured value.