Dynamic behavior of droplet transport on realistic gas diffusion layer with inertial effect via a unified lattice Boltzmann method

The dynamic behavior of liquid droplets on a reconstructed real gas diffusion layer (GDL) surface with the inertial effect produced by the three dimensional (3D) flow channel is investigated using an improved pseudopotential multiphase model within the unified lattice Boltzmann model (ULBM) framework, which can realize thermodynamic consistency and tunable surface tension. The microstructure of the GDL (Toray-090) including carbon fibers and polytetrafluoroethylene (PTFE) is reconstructed by a stochastic and mixed-wettability model. The critical force formulation for the Cassie-Wenzel transition of a droplet on GDL surface is derived. The effects of inertia and contact angles on the liquid droplet transport process on a reconstructed real GDL surface with a 3D flow channel are investigated. The results show the normalized center-of-mass coordinate X may enter the channel wall area or fluctuate around the initial position. With increased inertia applied on the droplet, the normalized center-of-mass coordinate Y grows faster and the normalized center-of-mass coordinate Z decreases. It is found by the ULBM for the first time that the liquid droplet is pushed back into the GDL by inertial effect. With the increase of inertia and the decrease of contact angle of GDL, both the droplet penetration depth in GDL and the droplet invasion fraction increase. The droplet invasion fraction in GDL is up to 30%.     

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.     

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.     

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.     

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.     

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.     

Water droplet detachment characteristics on surfaces of gas diffusion layers in PEMFCs

Water management is one of the key issues affecting the performance and stability of proton exchange membrane fuel cells (PEMFCs). Water detachment on the gas diffusion layer (GDL) surface is critically important to water management in PEMFCs. In this study, water droplet detachment characteristics under various GDL surface contact angles and channel heights are investigated, by using a customized transparent model cell for direct ex-situ water visualization. The droplet height, chord, height/chord ratio, and contact angle hysteresis at the instant of droplet detachment are quantitatively analyzed. The droplet detachment is easier for higher gas Reynolds number (Re_g). The height and chord of the droplet both decrease with Re_g for both GDLs with and without PTFE but their decrement rates become smaller in higher Re_g regions for all the channel heights investigated. Compared with droplets on the untreated GDL, the droplet height/chord ratio on the PTFE-treated GDL with larger static contact angle is increased by 36.7%, 64.1% and 76.0% and the contact angle hysteresis is reduced by 17.1%, 16.3% and 12.6% for the channel height H of 1 mm, 2 mm and 3 mm, respectively, which indicates that the PTFE-treated GDL improves water detachment. It shows that the water detachment is improved by reducing the channel height due to the smaller contact angle hysteresis at the instant of droplet detachment.     

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 microstructure of gas diffusion layer with variable contact angle

For a gas diffusion layer (GDL) with hydrophobic treatment, its hydrophobicity (contact angle) may change along the through-plane direction, and lead to different two-phase transport characteristics. In this study, such variable contact angle is implemented in a three-dimensional unsteady two-phase model based on the microstructure of GDL to study the liquid water transport characteristics along the in-plane direction caused by cross flow. It is found that during a liquid water intrusion process, the liquid water first moves through some of the pores that are easy to penetrate, forming a “fingering transport” mode; and after that, with more liquid water accumulated, the rest of the pores can also be filled, forming a “steady transport” mode. Increasing the differential pressure or decreasing the contact angle of GDL accelerates the liquid water intrusion, and this effect is weakened at higher differential pressures and contact angles. For a GDL with variable contact angle, the water transport characteristics in different cross sections normal to the through-plane direction with different contact angles are similar to the corresponding fixed contact angle cases in these cross sections, and the overall process of water intrusion with variable contact angle is similar to its corresponding average fixed contact angle case.     

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.     

Modeling of droplet detachment using dynamic contact angles in polymer electrolyte fuel cell gas channels

Climate change, energy security and air pollution are all motivators for the further development of fuel cells. A volume of fluid approach was used to investigate the impact of dynamic contact angle boundary conditions (Kistler model), mainly at the gas diffusion layer surface but also at the channel wall, of a polymer electrolyte fuel cell gas channel. From this study, it is clear that a dynamic contact angle boundary condition, with advancing and receding contact angles, influences the droplet detachment characteristics, for example, the detachment time and droplet size. Implementing dynamic contact angle boundary conditions for a thin channel causes the droplet, after being reattached to the wall on the side opposite the GDL, to flow very slowly when attached to the wall, until it is merged with a second droplet and they exit the channel (but remain attached to the wall) fairly quickly. Similar phenomena are not observed while using a static contact angle.     

Roughness effects of gas diffusion layers on droplet dynamics in PEMFC flow channels

Water management remains one of the major challenges in optimising the performance of PEMFCs, in which liquid accumulation and removal in gas diffusion layers (GDLs) and flow channels should be addressed. Here, effects of GDL surface roughness on the water droplet removal inside a PEMFC flow channel have been investigated using the Volume of Fluid method. Rough surfaces are generated according to realistic GDL properties by incorporating RMS roughness and roughness wavelength as the main characteristic parameters. Droplet dynamics including emergence, growth, detachment, and removal in flow channels with various airflow rates are simulated on rough substrates. The influences of airflow rate on droplet dynamics are also discussed by comparing the detachment time and droplet morphology. The liquid removal efficiency subject to different surface roughness parameters is evaluated by droplet detachment time and elongation, and regimes of detachment modes are identified based on the droplet breakup location and detachment ratio. The results suggest that rough surfaces with higher RMS roughness can facilitate the removal of liquid inside flow channel. Whilst surface roughness wavelength is found less significant to the liquid removal efficiency. The results here provide qualitative assessments on identifying the key surface characteristics controlling droplet motion in PEMFC channels.     

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.     

Numerical investigation of water dynamics in a novel wettability gradient anode flow channel for proton exchange membrane fuel cells

The effective removal and transport of water in flow channels play an important role in the water management of proton exchange membrane fuel cells (PEMFCs). In this paper, a novel design of anode serpentine flow channel with the wettability gradient wall is discussed and numerically investigated by utilizing the volume-of-fluid (VOF) method. The effects of the contact angle and the wettability gradient of channel walls, as well as hydrogen flow velocity and water droplet size, on the droplet dynamic behavior are studied. The results indicate that compared with the conventional flow channel, the water droplet can be more effectively removed from the turning part in the wettability gradient flow channel. And the water removal ability in the turning part is improved with the increase of the wettability gradient. Moreover, the wettability gradient flow channel can also improve the water removal performance for the cases with different hydrogen flow velocities and water droplet sizes. This study provides ideas for guiding the design of flow channel to effectively enhance anode water management.     

Comparative analysis of two-phase flow in sinusoidal channel of different geometric configurations with application to PEMFC

The droplet dynamics inside a sinusoidal channel for PEMFC (polymer electrolyte membrane fuel cell) are investigated numerically using the VOF (volume of fluid) method. This study is done for three geometrically different channels corresponding to various non-dimensional sinusoidal distances (50, 25, 12.5, 16.7 and 8.3). The effects of key parameters like sinusoidal distance (pitch-amplitude ratio), radius of curvature and wall contact angle on the droplet removal in the flow channel are investigated. The performance of the sinusoidal as compared to the conventional channel is studied based on droplet removal rate and GDL (gas diffusion layer) surface water coverage. It is found that the droplet removal rate increases with increasing sinusoidal distance and wall contact angle. In addition, decrease in the sinusoidal distance results in a significant reduction in the average droplet speed and gas diffusion layer surface water coverage. It was also observed that broken bits of the droplet stuck on the wall corners accrued with a reduction in the wall contact angle. The curvy nature of the side walls generally induces a secondary flow effect which would be most beneficial in enhanced reactant diffusion and cell performance. It is suggested that the sinusoidal distance and wall contact angle effect on two-phase flow in a channel is highly significant. As such, needs to be considered for water management in sinusoidal channels.     

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.     

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.     

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.     

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 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.