Comparison of numerical simulation results with experimental current density and methanol-crossover data for direct methanol fuel cells

The simulation results of a one-dimensional (1D) direct methanol fuel cell (DMFC) model are compared with the current density and methanol-crossover data that are experimentally measured under several different cell designs and operating conditions. No fitting parameters are employed for the comparison and model input parameters obtained from the literature are consistently used for all the cases of comparison. The numerical predictions agree well with the experimental data and the 1D DMFC model successfully captures key experimental trends that are observed in the cell current density and methanol-crossover data. This clearly illustrates that the present DMFC model can be applicable for optimizing DMFC component designs and operating conditions. In addition, the model simulations further indicate that the reduction of the methanol concentration in the anode catalyst layer is critical to simultaneously suppress both the electro-osmotic drag (EOD) and the diffusion aspects of methanol crossover.     

Coupled mechanical stress and multi-dimensional CFD analysis for high temperature proton exchange membrane fuel cells (HT-PEMFCs)

We use a combined finite element method (FEM)/computational fluid dynamics (CFD) methodology to numerically investigate the effects of gas diffusion layer (GDL) compression/intrusion on the performance of a phosphoric acid-doped polybenzimidazole (PBI) membrane-based high temperature proton exchange membrane fuel cell (HT-PEMFC). Three-dimensional (3-D) FEM simulations are conducted under various displacement clamping conditions to analyze cell deformation characteristics. Then, a multi-dimensional HT-PEMFC CFD model is applied to the deformed cell geometries to study transport and electrochemical processes during HT-PEMFC operations. Our numerical simulation results reveal that the maximum stresses in the deformed GDLs always occur near the edge of the ribs. The combined effects of GDL compression/intrusion considerably increase spatial non-uniformity in the species and current density distributions, and reduce cell performance.     

Numerical investigation of hydrogen absorption in a stackable metal hydride reactor utilizing compartmentalization

In this paper, a three-dimensional model for hydrogen absorption in a metal alloy has been developed, validated against the experimental data in the literature, and then applied to a novel design for a hydrogen storage unit. The proposed design is similar to the fuel cell stack, but here the Membrane Electrode Assembly (MEA) has been replaced by a metal hydride (MH) reactor placed between the flow-field plates. These are stacked together to achieve the required amount of hydrogen storage. The flow-field plates have channels engraved on one side for hydrogen supply and on the other, for coolant/heating medium. It is known that the effectiveness of a hydrogen storage unit is directly related to its heat transfer area, and therefore, the choice of its geometry is very important. The larger the size, the more the resistance to heat transfer. Although, the internal tubular heat exchangers have proven to be effective in heat transfer, they pose severe challenges such as cooling/heating medium leakage due to tube erosion, stresses generated, etc. and they displace the active metal hydride from the tank. The present stacked MH reactor configuration helps to overcome these challenges by stacking small MH reactors together and there is no chance of the cooling/heating medium leaking into the metal hydride. Numerical simulations were performed to investigate the effect of coolant flow rate and percentage of flow-field plate rib area exposed to the MH reactor on temperature evolution and the amount of hydrogen stored. Further, a detailed study was carried out to understand the effect of compartmentalization of the MH reactor on temperature distribution. The results revealed that compartmentalization substantially helps to uniformly distribute the temperature in the metal bed, which is very important to maintain uniform utilization of the metal powder. Consequently, the uniform metal powder density for repeated absorption-desorption cycles without significant loss of its hydrogen storage capabilities.     

Numerical study of thermal stresses in high-temperature proton exchange membrane fuel cell (HT-PEMFC)

The purpose of this work is to numerically examine the thermal stress distributions in a high-temperature proton exchange membrane fuel cell (HT-PEMFC) based on a phosphoric acid doped polybenzimidazole (PBI) membrane. A fluid structure interaction (FSI) method is adopted to simulate the expansion/compression that arises in various components of a membrane electrode assembly (MEA) during the HT-PEMFC assembly processes, as well as during cell operations. First, three-dimensional (3-D) finite element method (FEM) simulations are conducted to predict the cell deformation during cell clamping. Then, a nonisothermal computational fluid dynamic (CFD)-based HT-PEMFC model developed in a previous study [1] is applied to the deformed cell geometry to estimate the key species and temperature distributions inside the cell. Finally, the temperature distributions obtained from these CFD simulations are employed as the input load for 3-D FEM simulations. The present numerical study provides a fundamental understanding of the stress–temperature interaction during HT-PEMFC operations and demonstrates that the coupled FEM/CFD HT-PEMFC model presented in this paper can be used as a useful tool for optimizing HT-PEMFC clamping and operating conditions.     

Numerical analysis of effects of gas crossover through membrane pinholes in high-temperature proton exchange membrane fuel cells

Durability is a major issue in the widespread commercialization of proton exchange membrane fuel cells (PEMFCs). Various failure modes have been identified over their long runtime. These mainly originate from membrane and catalyst layer failures. One of the most common failure modes in PEMFCs is due to pinhole formation in the membrane and resultant reactant gas crossover through the membrane. Gas crossover induces several critical problems in PEMFCs, including severe reactant depletion in the downstream regions, mixed potential at the electrodes, and formation of local hot spots by hydrogen/oxygen catalytic reaction, which indicates that the cell performance decreases with increasing gas crossover. In this study, we numerically investigate the effects of gas crossover on the performance of a high-temperature PEMFC based on a phosphoric-acid-doped polybenzimidazole (PBI) membrane. In contrast to previous gas-crossover studies 1 and 2 in which uniform gas crossover throughout the entire membrane has been simply assumed, our focus is on examining the impacts of localized gas crossover due to membrane pinholes. Numerical simulations are carried out via arbitrarily assuming pinholes in the membrane. The simulation results clearly show that the presence of pinholes in the membrane significantly disrupts the species, current density, and temperature distributions. Our findings may improve the fundamental and detailed understanding of localized gas-crossover phenomena through the membrane pinholes and the influence of these phenomena on high-temperature PEMFC operation.     

A global transient,one-dimensional,two-phase model for direct methanol fuel cells (DMFCs) – Part II: Analysis of the time-dependent thermal behavior of DMFCs

A transient-thermal model based on a lumped system is newly developed and implemented in a one-dimensional (1D), two-phase rigorous direct methanol fuel cell (DMFC) model presented in Part I. In this model, the main focus lies on the investigation of the transient thermal behavior of DMFCs and its influence on methanol crossover, cell performance, and efficiency. 1D simulations are carried out and the time-dependent thermal behaviors of DMFCs are analyzed for various methanol-feed concentrations and external heat-transfer conditions. Predicting the close interactions between the evolution of the transient temperature, methanol crossover, cell voltage, and efficiency during DMFC operations, the simulations of transient behavior indicate that the insufficient cooling of DMFCs finally lead to thermal runaway, particularly under high methanol-feed concentrations. Therefore, it is concluded that an efficient cooling system is greatly needed to safeguard DMFC operations and enhance the performance of DMFCs. The present 1D DMFC model is a useful tool for attaining a better understanding of complicated physical phenomena in DMFCs, which assists in optimizing the operating conditions of such cells and material/design parameters.     

Numerical analysis of gas crossover effects in polymer electrolyte fuel cells (PEFCs)

The gas crossover phenomenon in polymer electrolyte fuel cells (PEFCs) is an indicator of membrane degradation. The objective of this paper is to numerically investigate the effects of hydrogen and oxygen crossover through the membrane in PEFCs. A gas crossover model is newly developed and implemented in a comprehensive multi-dimensional, multi-phase PEFC model developed earlier. A parametric study is carried out to investigate the effects of the crossover diffusion coefficients for hydrogen and oxygen as well as the membrane thickness. The simulation results demonstrate that the hydrogen crossover induces an additional oxygen reduction reaction (ORR) and consequently causes an additional voltage drop, while the influence of oxygen crossover on PEFC performance is relatively insignificant because it leads to the hydrogen/oxygen chemical reaction at the anode side. Finally, using the time-dependent gas crossover data that are available in the literature (measured in days), we conduct gas crossover simulations to examine the effects of increased gas crossover due to membrane degradation on PEFC performance and successfully demonstrate decaying polarization curves with respect to time. This study clearly elucidates the detailed mechanisms of the hydrogen and oxygen crossover phenomena and their effect on PEFC performance and durability.     

A numerical investigation of the effects of GDL compression and intrusion in polymer electrolyte fuel cells (PEFCs)

The purpose of this work is to numerically investigate the effects of non-uniform compression of the gas diffusion layer (GDL) and GDL intrusion into a channel due to the channel/rib structure of the flow-field plate. The focus is placed on accurately predicting two-phase transport between the compressed GDL near the ribs and uncompressed GDL near the channels, and its associated effects on cell performance. In this paper, a GDL compression model is newly developed and incorporated into a comprehensive three-dimensional, two-phase PEFC model developed earlier. To assess solely the effects of GDL compression and intrusion, the new fuel cell model is applied to a simple single-straight channel fuel cell geometry. Numerical simulations with different levels of GDL compression and intrusion are carried out and simulation results reveal that the effects of GDL compression and intrusion considerably increase the non-uniformity, particularly, the in-plane gradient in liquid saturation, oxygen concentration, membrane water content, and current density profiles that in turn results in significant ohmic and concentration polarizations. The present three-dimensional GDL compression model yields realistic species profiles and cell performance that help to identify the optimal MEA, gasket, and flow channel designs in PEFCs.     

Numerical modeling and investigation of gas crossover effects in high temperature proton exchange membrane (PEM) fuel cells

A gas crossover model is developed for a high temperature proton exchange membrane fuel cell (HT-PEMFC) with a phosphoric acid-doped polybenzimidazole membrane. The model considers dissolution of reactants into electrolyte phase in the catalyst layers and subsequent crossover of reactant gases through the membrane. Furthermore, the model accounts for a mixed potential on the cathode side resulting from hydrogen crossover and hydrogen/oxygen catalytic combustion on the anode side due to oxygen crossover, which were overlooked in the HT-PEMFC modeling works in the literature. Numerical simulations are carried out to investigate the effects of gas crossover on HT-PEMFC performance by varying three critical parameters, i.e. operating current density, operating temperature and gas crossover diffusivity to approximate the membrane degradation. The numerical results indicate that the effect of gas crossover on HT-PEMFC performance is insignificant in a fresh membrane. However, as the membrane is degraded and hence gas crossover diffusivities are raised, the model predicts non-uniform reactant and current density distributions as well as lower cell performance. In addition, the thermal analysis demonstrates that the amount of heat generated due to hydrogen/oxygen catalytic combustion is not appreciable compared to total waste heat released during HT-PEMFC operations.