Water and hydrogen transport modelling through the membrane-electrode assembly of a PEM fuel cell

Ionescu, Viorel

doi:10.1088/1402-4896/ab51ee

Cited by 12 publications

(5 citation statements)

References 39 publications

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“…Rahman et al developed a 1D non-isothermal model to predict the resistance to dry oxygen and limiting current. Ionescu developed a 1D model to study the net water flux and hydrogen crossover across the Nafion membrane in the PEM fuel cell. The study results showed that the cell performance improves as the cell pressure and temperature increase.…”

Section: Numerical Modeling Of Pem Fuel Cellsmentioning

confidence: 99%

Different Approaches Used for Modeling and Simulation of Polymer Electrolyte Membrane Fuel Cells: A Review

2020

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Modeling and simulation play a very crucial role in the development of the polymer electrolyte membrane (PEM) fuel cells. This review presents a detailed literature overview of the approaches used for PEM fuel cell modeling and problems related to it. The review starts with a brief overview of the hydrogen energy storage system and working of PEM fuel cells. After that, the models range from a simplified one-dimensional model to full three-dimensional models that are used to simulate the PEM fuel cells and are elaborated. The issues associated with the experimental validation of the model, especially in the concentration loss regions of the polarization curve, are also discussed. In addition to that, the physical interpretation of the ANSYS PEM fuel cell module governing equations are explained in terms of the practical processes taking place within PEM fuel cells. Finally, the gaps identified in the current knowledge of the PEM fuel cell simulation modeling are highlighted.

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Section: Numerical Modeling Of Pem Fuel Cellsmentioning

confidence: 99%

Different Approaches Used for Modeling and Simulation of Polymer Electrolyte Membrane Fuel Cells: A Review

2020

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“…Additionally, its hardware includes bipolar plates containing flow fields inside to channel the flow and gaskets enabling a gas-tight seal of the MEA. Its catalytic efficiency depends on the formation of triple-phase boundaries (TPBs) between the electrolyte, the electrocatalyst, and the gaseous product with reduced resistance of mass transfer and charge transfer [26,27]. Therein, besides facilitating mass transport of the products, GDL is also expected to conduct the electrons from the CL to bipolar plates and provide mechanical support for the membrane [28,29].…”

Section: Introductionmentioning

confidence: 99%

A brief introduction of electrode fabrication for proton exchange membrane water electrolyzers

Lin

Seow

2023

J. Phys. Energy

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Proton exchange membrane water electrolyzer (PEMWE) is a major enabler of green hydrogen production. The development of water electrolyzers is a vital step in driving the progress of a hydrogen-based economy. The system inside the electrolyzer is a zero-gap cell featuring low ohmic resistance and boosted mass transport, leading to higher energy efficiency and minimized capital cost. Besides, utilizing PEM in the electrolyzer for sustainable hydrogen production enables the system to perform with many advantages, including superior energy efficiency, higher hydrogen purity, and high flexibility. Therefore, as PEM electrolyzers continue to evolve, sustainable hydrogen production on a larger scale will be realized in the near future. This review summarizes the status quo of PEM water electrolyzers in the past four years. We will start with a brief introduction of the core of a water electrolyzer, namely the membrane electrode assembly (MEA), which will be followed by an introduction of fabrication methods of MEA, including catalyst-coated membrane (CCM) methods, catalyst-coated electrode (CCE) methods, and other innovative fabrication methods. Next, we will summarize recent attempts to modify electrodes and membranes in MEAs to promote the performance of PEMWE. Subsequently, catalyst development for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in MEA is discussed, highlighting novel HER/OER catalysts and strategies to reduce the content of noble metals. Lastly, conclusion and perspectives are provided to present a blueprint to inspire the future development of PEMWE.

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“…One of the important parameters to be managed for PFSA membranes is the electro-osmotic drag (EOD) coefficient. − It is defined as the ratio between the number of water molecules and protons transferred across the membrane in the absence of gradients in concentration and pressure and at vanishing electric field − , Here, ξ D is the EOD coefficient of water in the membrane, is the flux of water, and is the flux of protons across the membrane in the presence of the electric field. While the definition of the EOD coefficient is straightforward, many attempts have been made to rationalize and quantify this parameter using experiments and simulations. ,,,− As it will be discussed in this paper, the results of different experiments and simulation methods show a large scattering.…”

Section: Introductionmentioning

confidence: 99%

Electro-osmotic Drag and Thermodynamic Properties of Water in Hydrated Nafion Membranes from Molecular Dynamics

et al. 2022

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One of the important parameters in water management of proton exchange membranes is the electro-osmotic drag (EOD) coefficient of water. The value of the EOD coefficient is difficult to justify, and available literature data on this for Nafion membranes show scattering from in experiments and simulations. Here, we use a classical all-atom model to compute the EOD coefficient and thermodynamic properties of water from molecular dynamics simulations for temperatures between 330 and 420 K, and for different water contents between λ = 5 and λ = 20. λ is the ratio between the moles of water molecules to the moles of sulfonic acid sites. This classical model does not capture the Grotthuss mechanism; however, it is shown that it can predict the EOD coefficient within the range of experimental values for λ = 5 where the vehicular mechanism dominates proton transfer. For λ > 5, the Grotthuss mechanism becomes dominant. To obtain the EOD coefficient, average velocities of water and ions are computed by imposing different electric fields to the system. Our results show that the velocities of water and hydronium scale linearly with the electric field, resulting in a constant ratio of ca. 0.4 within the error bars. We find that the EOD coefficient of water linearly increases from 2 at λ = 5 to 8 at λ = 20 and the results are not sensitive to temperature. The EOD coefficient at λ = 5 is within the range of experimental values, confirming that the model can capture the vehicular transport of protons well. At λ = 20, due to the absence of proton hopping in the model, the EOD coefficient is overestimated by a factor of 3 compared to experimental values. To analyze the interactions between water and Nafion, the partial molar enthalpies and partial molar volumes of water are computed from molecular dynamics simulations. At different water uptakes, multiple linear regression is used on raw simulation data within a narrow composition range of water inside the Nafion membrane. The partial molar volumes and partial molar excess enthalpies of water asymptotically approach the molar volumes and molar excess enthalpies of pure water for water uptakes above 5. This confirms the model can capture the bulklike behavior of water in the Nafion at high water uptakes.

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Water and hydrogen transport modelling through the membrane-electrode assembly of a PEM fuel cell

Cited by 12 publications

References 39 publications

Different Approaches Used for Modeling and Simulation of Polymer Electrolyte Membrane Fuel Cells: A Review

Different Approaches Used for Modeling and Simulation of Polymer Electrolyte Membrane Fuel Cells: A Review

A brief introduction of electrode fabrication for proton exchange membrane water electrolyzers

Electro-osmotic Drag and Thermodynamic Properties of Water in Hydrated Nafion Membranes from Molecular Dynamics

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