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.     

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.     

3D lattice Boltzmann modeling of droplet motion in PEM fuel cell channel with realistic GDL microstructure and fluid properties

A 3D multi-component multi-phase lattice Boltzmann model is developed to study the droplet motion in the flow channel of proton exchange membrane fuel cell. The model is capable of reaching realistic density and viscosity ratio, tunable surface tension with low spurious velocity and is also validated by various benchmark tests in both static and dynamic states. For the first time, the effect of realistic microstructure of gas diffusion layer (GDL) on droplet dynamic behavior is comprehensively studied in terms of comparison with smooth channel, contact angle and droplet size with the motion processes clearly illustrated. The simulation results show the GDL microstructure can amplify the material wettability, affect the motion direction and impede the droplet motion. More hydrophobic GDL can effectively accelerate the transport. However, it is observed the droplet may reach the sidewall due to the presence of GDL and the motion is therefore severely impeded regardless of the GDL contact angle or droplet size, which is hard to avoid but deadly for the water management. For this problem, a novel water management strategy is proposed and the results show the hydrophilic side & top wall can effectively remove the liquid water from the GDL surface, decrease pressure drop and prevent reactant maldistribution.     

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 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.     

Liquid water transport between graphite paper and a solid surface

We studied the interaction of a water droplet with a solid wall on a hydrophobic gas diffusion layer (GDL). Of particular interest is the stability of the droplet as a function of plate wetting properties and the potential for liquid entrapment in the GDL/land contact area. Such transport is of relevance to breakthrough dynamics and convective liquid droplet transport in polymer electrolyte membrane (PEM) fuel cell cathode gas channels. While a variety of complex coupled transport phenomena are present in the PEM fuel cell gas channel, we utilize a very simplified experimental model of the system where a droplet originally placed on a hydrophobic GDL is translated quasistatically across the GDL surface by a solid surface. Transport and entrapment are imaged using fluorescence microscopy. This work provides new insights into droplet behaviour at the GDL/land interface in a PEM fuel cell and suggests that hydrophobic land areas are preferable for mitigating the accumulation of liquid water under the land area of the gas flow channels.     

Lattice Boltzmann simulations of water transport in gas diffusion layer of a polymer electrolyte membrane fuel cell

The effect of wettability on water transport dynamics in gas diffusion layer (GDL) is investigated by simulating water invasion in an initially gas-filled GDL using the multiphase free-energy lattice Boltzmann method (LBM). The results show that wettability plays a significant role on water saturation distribution in two-phase flow in the uniform wetting GDL. For highly hydrophobicity, the water transport falls in the regime of capillary fingering, while for neutral wettability, water transport exhibits the characteristic of stable displacement, although both processes are capillary force dominated flow with same capillary numbers. In addition, the introduction of hydrophilic paths in the GDL leads the water to flow through the hydrophilic pores preferentially. The resulting water saturation distributions show that the saturation in the GDL has little change after water breaks through the GDL, and further confirm that the selective introduction of hydrophilic passages in the GDL would facilitate the removal of liquid water more effectively, thus alleviating the flooding in catalyst layer (CL) and GDL. The LBM approach presented in this study provides an effective tool to investigate water transport phenomenon in the GDL at pore-scale level with wettability distribution taken into consideration.     

Three-dimensional numerical simulation of water droplet emerging from a gas diffusion layer surface in micro-channels

The dynamic formation of water droplets emerging from a gas diffusion layer (GDL) surface in micro-channels was simulated using the volume of fluid (VOF) method. The influence of GDL surface microstructure was investigated by changing the pore diameter and the number of pore openings on the GDL surface. Simulation results show that the microstructure of the GDL surface has a significant impact on the two-phase flow patterns in gas flow channels. For a non-uniform GDL surface, three stages were identified, namely emergence and merging on the GDL surface, accumulation on the channel sidewalls and detachment from the top wall. It was also found that if the pore size is small enough, the flow pattern in the channel does not change with further reduction in the pore diameter. However, the two-phase flow patterns change significantly with the wettability of the GDL surface and sidewalls, but remain the same when the liquid flow rate is reduced by two orders of magnitude from the reference case.     

Experimental validation of a lumped model of single droplet deformation,oscillation and detachment on the GDL surface of a PEM fuel cell

Proton Exchange Membrane Fuel Cell (PEMFC) performance significantly depends on electrodes water content. Liquid water emerging from the Gas Diffusion Layer (GDL) micro-channels can form droplets, films or slugs in the Gas Flow Channel (GFC). In the regime of droplets formation, the interaction with the gas flow leads to an oscillating mechanisms that is fundamental to study the detachment from the GDL surface. In this work, a numerical model of a droplet growing on the GDL surface is developed to describe the interaction between droplet and gas flow. Therefore, a lumped force balance is enforced to determine the center of mass motion law. Oscillation frequencies during growth and at detachment are found as a function of droplet size. The model is also exploited to find the relationship between droplet critical detachment size and gas velocity. The numerical results are compared with the experimental data previously published by the authors as well as with other experimental results available in the literature. The matching between the numerical and experimental data is very good. The low computational burden and the conciseness of the proposed approach make the model suitable for applications such as control and optimization strategies development to enhance PEMFC performance. Additionally, the model can be exploited to implement monitoring and diagnostic algorithm as well.     

Numerical simulation of two-phase flow in a multi-gas channel of a proton exchange membrane fuel cell

Understanding the two-phase distribution characteristics within the multi-gas channel of a fuel cell is important for improving fuel cell performance. In the paper, the volume of fluid model is used to predict the dynamic behaviour of water in the multi-gas channel, analyze the pressure drop, velocity distribution, and flow resistance coefficient between different channels, and investigate the influence of operating conditions, surface wettability and channel structure on the two-phase distribution characteristics in the channel. The results show that water undergoes the processes of growth, separation, single droplet transport, wall impact, droplet collision, liquid film formation, and liquid film transport in the multi-gas channel. Inlet velocity and surface wettability significantly affect the pressure drop, water saturation, and surface water coverage. As the inlet velocity and gas diffusion layer surface wettability increase, the flow resistance coefficient and unevenness of the distribution decrease, indicating that the in-channel flow distribution homogeneity is enhanced. The rectangular channel has better water removal and flow distribution uniformity than the tapered channel, and the unevenness of distribution decreases significantly with decreasing rectangular width, from 0.15715 to 0.00315. The research work is a guide to understanding water transport in multi-gas channels, accelerating water removal, and improving inter-channel flow distribution uniformity.     

Numerical simulation of liquid water and gas flow in a channel and a simplified gas diffusion layer model of polymer electrolyte membrane fuel cells using the lattice Boltzmann method

Numerical simulations using the lattice Boltzmann method (LBM) are developed to elucidate the dynamic behavior of condensed water and gas flow in a polymer electrolyte membrane (PEM) fuel cell. Here, the calculation process of the LBM simulation is improved to extend the simulation to a porous medium like a gas diffusion layer (GDL), and a stable and reliable simulation of two-phase flow with large density differences in the porous medium is established. It is shown that dynamic capillary fingering can be simulated at low migration speeds of liquid water in a modified GDL, and the LBM simulation reported here, which considers the actual physical properties of the system, has significant advantages in evaluating phenomena affected by the interaction between liquid water and air flows. Two-phase flows with the interaction of the phases in the two-dimensional simulations are demonstrated. The simulation of water behavior in a gas flow channel with air flow and a simplified GDL shows that the wettability of the channel has a strong effect on the two-phase flow. The simulation of the porous separator also indicates the possibility of controlling two-phase distribution for better oxygen supply to the catalyst layer by gradient wettability design of the porous separator.     

Numerical simulations of two-phase flow in a proton-exchange membrane fuel cell based on the generalized design method

The water management of proton-exchange membrane fuel cell (PEMFC) has a major impact on the performance of the cell system. In order to investigate the influence of air velocity and wettability on the whole process during penetration of liquid water, a generalized two-dimensional model in conjunction with the volume of fluid (VOF) method was used to simulate the whole processes from gas diffusion layer (GDL) to gas channel (GC). The results show that the wettability of the medium plays a significant role than flow rate for the penetration of liquid water in the GDL. It is shown that favorable hydrophobicity and high air velocity in GC is helpful to remove liquid droplets on the GDL surface. By contrast, the stable droplets spacing on GDL surface is more concentrated and the percentage of liquid area is more extensive under the hydrophilic and low-velocity case, which would aggravate the liquid water and hard to remove from the GDL surface.     

Dynamic water transport and droplet emergence in PEMFC gas diffusion layers

The dynamics of liquid water transport through the gas diffusion layer (GDL) and into a gas flow channel are investigated with an ex situ experimental setup. Liquid water is injected through the bottom surface of the GDL, and the through-plane liquid pressure drop, droplet emergence and droplet detachment are studied. The dynamic behaviour of water transport in and on the surface of the GDL is observed through fluorescence microscopy, and the through-plane liquid pressure drop is measured with a pressure transducer. With an initially dry GDL, the initial breakthrough of liquid water in the GDL is preceded by a substantial growth of liquid water pressure. Post-breakthrough, droplets emerge with a high frequency, until a quasi-equilibrium liquid water pressure is achieved. The droplet emergence/detachment regime is followed by a transition into a slug formation regime. During the slug formation regime, droplets tend to pin near the breakthrough location, and the overall channel water content increases due to pinning and the formation of water slugs. Droplets emerge from the GDL at preferential breakthrough locations; however, these breakthrough locations change intermittently, suggesting a dynamic interconnection of water pathways within the GDL. The experiments are complemented by computational fluid dynamics (CFD) simulations using the volume of fluid method to illustrate the dynamic eruption mechanism.     

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.     

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.     

Dynamics of liquid water in the anode flow channels of PEM fuel cells: A numerical parametric study

A 3D volume of fluid (VOF) model for an anode channel in a PEM fuel cell has been built. The effects of the initial position of the water droplet, its size as well as the wettability of the gas diffusion layer (GDL) are investigated under different operating conditions. It is found that the initial position of the relatively small water droplet in the channel has almost no effect on the pressure drop and the time taken for the liquid water to move out from the channel; however, such effects become more profound as the size of the water droplet increases. Also, when the droplet is placed at the side wall of the channel, then it develops into pockets of water that are mainly located at the upper corners of the channel, thus causing a smaller pressure drop compared to the cases in which the water droplet is placed either on the surface of the GDL or on the top wall of the channel. Furthermore, the hydrogen velocity is found to have a negligible effect on the dynamics of liquid water; however, the pressure drop and removal time are significantly influenced by the hydrogen velocity. Moreover, as the size of the water droplet increases, the pressure drop increases and the time required for the liquid water to move out of the channel decreases. Finally, the pressure drop in the channel decreases and the removal time of the liquid water increases as the contact angle of the GDL decreases.     

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.     

A two-fluid model for two-phase flow in PEMFCs

In this study, a two-fluid (TF) model is developed for two-phase flows in proton exchange membrane fuel cells (PEMFCs). The drag force and lift force between gas and liquid phase are considered in N-S equations. In addition, a simplified model is introduced to obtain the liquid water droplet detachment diameter on the gas diffusion layer (GDL)/channel interface which involves the properties of the GDL/channel interface (contact angle and surface tension). The TF model and the simplified model for the prediction of water droplet detachment diameter on GDL/channel interface are validated by the comparison between the experimental data and the model results, respectively. The effect of the properties of GDL/channel interface (contact angle and surface tension) on two-phase behavior in PEMFCs is investigated, The results show that a high contact angle and a low surface tension are advantageous for liquid water removal in the gas channel and the GDL even though a low surface tension will lead to a low capillary force in the GDL.     

Numerical simulation of two-phase flow in gas diffusion layer and gas channel of proton exchange membrane fuel cells

Liquid water within the cathode Gas Diffusion Layer (GDL) and Gas Channel (GC) of Proton Exchange Membrane Fuel Cells (PEMFCs) is strongly coupled to gas transport properties, thereby affecting the electrochemical conversion rates. In this study, the GDL and GC regions are utilized as the simulation domain, which differs from previous studies that only focused on any one of them. A Volume of Fluid (VOF) method is adopted to numerically investigate the two-phase flow (gas and liquid) behavior, e.g., water transport pattern evolution, water coverage ratio as well as local and total water saturation. To obtain GDL geometries, an in-house geometry-based method is developed for GDL reconstruction. Furthermore, to study the effect of GDL carbon fiber diameter, the same procedure is used to reconstruct three GDL structures by varying the carbon fiber diameter but keeping the porosity and geometric dimensions constant. The wall wettability is introduced with static contact angles at carbon fiber surfaces and channel walls. The results show that the GDL fiber microstructure has a significant impact on the two-phase flow patterns in the cathode field. Different stages of two-phase flow pattern evolution in both cathode domains are observed. The liquid water in the GDL experiences water invasion, spreading, and rising, followed by the droplet breakthrough in the GDL/GC interface. In the GC, the water droplets randomly experience accumulation, combination, attachment, and detachment. Due to the difference in surface wettability, the water coverage of the GDL/GC interface is smaller than that of the channel side and top walls. It is also found that the water saturation inside the GDL stabilizes after the water breakthrough, while local water saturation at the interface keeps irregular oscillations. Last but not the least, a water saturation balance requirement between the GDL and GC is observed. In terms of varying fiber diameter, a larger fiber diameter would result in less water saturation in the GDL but more water in the GC, in addition to faster water movement throughout the total domain.     

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.