Simulation of the catalyst layer in PEMFC based on a novel two-phase lattice model

Zhang, Jiejing; Yang, Wei; Xu, Li; Wang, Yuxin

doi:10.1016/j.electacta.2011.06.026

Cited by 28 publications

(24 citation statements)

References 28 publications

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“…The CL structure constructed here is considered to be adjacent to the GDL/CL interface. As reported in [40], for a 3 mm thick CL, the overpotential drop across the CL is just 0.02 V at a current density of 0.47 A cm À2 . In Ref.…”

Section: Boundary Conditionsmentioning

confidence: 86%

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Lattice Boltzmann Pore-Scale Investigation of Coupled Physical-electrochemical Processes in C/Pt and Non-Precious Metal Cathode Catalyst Layers in Proton Exchange Membrane Fuel Cells

Chen

Holby

et al. 2015

Electrochimica Acta

127

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Section: Boundary Conditionsmentioning

confidence: 86%

“…This method had a much higher resolution ($2 nm) which allows for a more detailed distribution of Pt particles when compared with previous studies [20][21][22][23]26,27,40]. In the present work, we follow this synthesis guided motivation.…”

Section: Reconstruction Of Nanostructures Of the Catalyst Layersmentioning

confidence: 86%

Lattice Boltzmann Pore-Scale Investigation of Coupled Physical-electrochemical Processes in C/Pt and Non-Precious Metal Cathode Catalyst Layers in Proton Exchange Membrane Fuel Cells

Chen

Holby

et al. 2015

Electrochimica Acta

127

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“…[286][287][288][289][290][291][292][293][294][295] However, since it is a much more complicated structure with much smaller domain sizes and a lower amount of knowledge and imaging, such simulations and stochastic reconstructions are challenging, with limited image-based approaches being used. 294 The challenge is offset by the need since catalyst layers are the most important layers.…”

Section: Catalyst-layer Modelingmentioning

confidence: 99%

A Critical Review of Modeling Transport Phenomena in Polymer-Electrolyte Fuel Cells

Weber

Borup

Darling³

et al. 2014

J. Electrochem. Soc.

496

394

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Polymer-electrolyte fuel cells are a promising energy-conversion technology. Over the last several decades significant progress has been made in increasing their performance and durability, of which continuum-level modeling of the transport processes has played an integral part. In this review, we examine the state-of-the-art modeling approaches, with a goal of elucidating the knowledge gaps and needs going forward in the field. In particular, the focus is on multiphase flow, especially in terms of understanding interactions at interfaces, and catalyst layers with a focus on the impacts of ionomer thin-films and multiscale phenomena. Overall, we highlight where there is consensus in terms of modeling approaches as well as opportunities for further improvement and clarification, including identification of several critical areas for future research. Fuel cells may become the energy-delivery devices of the 21 st century. Although there are many types of fuel cells, polymer-electrolyte fuel cells (PEFCs) are receiving the most attention for automotive and small stationary applications. In a PEFC, fuel and oxygen are combined electrochemically. If hydrogen is used as the fuel, it oxidizes at the anode releasing proton and electrons according toThe generated protons are transported across the membrane and the electrons across the external circuit. At the cathode catalyst layer, protons and electrons recombine with oxygen to generate waterAlthough the above electrode reactions are written in single step, multiple elementary reaction pathways are possible at each electrode. During the operation of a PEFC, many interrelated and complex phenomena occur. These processes include mass and heat transfer, electrochemical reactions, and ionic and electronic transport. * Electrochemical Society Active Member. z E-mail: azweber@lbl.govOver the last several decades significant progress has been made in increasing PEFC performance and durability. Such progress has been enabled by experiments and computation at multiple scales, with the bulk of the focus being on optimizing and discovering new materials for the membrane-electrode-assembly (MEA), composed of the proton-exchange membrane (PEM), catalyst layers, and diffusionmedia (DM) backing layers. In particular, continuum modeling has been invaluable in providing understanding and insight into processes and phenomena that cannot be resolved or uncoupled through experiments. While modeling of the transport and related phenomena has progressed greatly, there are still some critical areas that need attention. These areas include modeling the catalyst layer and multiphase phenomena in the PEFC porous media.While there have been various reviews over the years of PEFC modeling 1-7 and issues, [8][9][10][11][12][13][14] as well as numerous books and book chapters, there is a need to examine critically the field in terms of what has been done and what needs to be done. This review serves that purpose with a focus on transport modeling of PEFCs. This is not meant to be an exhaustive review...

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“…In addition to these agglomerate model studies, inexpensive computational power has made it feasible to study the actual microstructure of the CL. [23][24][25][26][27][28] By incorporating the complex morphology of the CL, such models can help to characterize the CL, for example, by determining effective transport properties, which is quite difficult with experiments.A key requirement for CL models is that they should be able to capture the effects of CL composition variations. In, 9,13,14 it was recognized that the agglomerate model is unable to realistically predict the effect of catalyst loading.…”

mentioning

confidence: 99%

An Improved Agglomerate Model for the PEM Catalyst Layer with Accurate Effective Surface Area Calculation Based on the Sphere-Packing Approach

Cetinbas

Advani

Prasad

2014

J. Electrochem. Soc.

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The complex porous structure of the PEM fuel cell catalyst layer (CL) necessitates the use of multiscale modeling strategies such as the agglomerate approach. In this study a 2D steady-state model for the cathode CL is developed using the spherical agglomerate approach. A new, more accurate, method is introduced to determine the effective agglomerate surface area, which plays a key role in estimating diffusion losses in the CL. Specifically, the reduction in the effective surface area due to overlapping particles is modeled geometrically based on a sphere-packing approach. In addition, the equations for the agglomerate model are reformulated to correctly account for the agglomerate surface area reduction due to overlapping particles. The importance of an accurate geometric model for the effective surface area is demonstrated by investigating the effect of CL composition on performance, and the results show that the new method provides more realistic predictions than the existing approach. Results from the new approach for optimal Pt loading, ionomer loading, and Pt|C ratio show good agreement with experimental results. Great strides have been made in proton exchange membrane (PEM) fuel cell research since the introduction of the technology in the early 1960s. Computational models represent a major tool for the design and development of PEM fuel cells because they decrease the dependence on expensive and time-consuming experimental procedures. Accurate computational models can also provide key insights into the fundamental processes that govern fuel cell performance. The overall accuracy of computational models depends strongly on the description of the catalyst layer (CL) as all the critical electrochemical reactions, and heat and mass transport processes occur within the CL. Therefore, developing better modeling strategies for the CL has been an important research objective to obtain a realistic representation of PEM fuel cell behavior.Catalyst layer modeling approaches, which have grown in complexity in the past decades, were described in detail in. 1 Here, we present only a brief review. Among the models reported, the interface model 2-4 is the simplest approach as it represents all of the CL activity as boundary conditions applied at the interface between the membrane and the gas diffusion layer (GDL). The macro-homogenous model [4][5][6][7] is a more advanced approach that utilizes the effective medium theory and approximates the CL as a porous matrix of gas pores, platinum, carbon, and electrolyte. The most comprehensive device-level model to date is the agglomerate approach [8][9][10][11][12][13][14][15][16][17][18][19][20][21][22] as it represents CL activity as a multiscale problem. Overall, the CL is assumed to consist of gas pores and aggregates of C|Pt particles that are covered by an electrolyte film. The agglomerate approach attempts to model the C|Pt aggregates (shown schematically in Fig. 1a) that are typically seen in microscopic images of the CL. For simplicity, the aggregate microstructure, de...

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Simulation of the catalyst layer in PEMFC based on a novel two-phase lattice model

Cited by 28 publications

References 28 publications

Lattice Boltzmann Pore-Scale Investigation of Coupled Physical-electrochemical Processes in C/Pt and Non-Precious Metal Cathode Catalyst Layers in Proton Exchange Membrane Fuel Cells

Lattice Boltzmann Pore-Scale Investigation of Coupled Physical-electrochemical Processes in C/Pt and Non-Precious Metal Cathode Catalyst Layers in Proton Exchange Membrane Fuel Cells

A Critical Review of Modeling Transport Phenomena in Polymer-Electrolyte Fuel Cells

An Improved Agglomerate Model for the PEM Catalyst Layer with Accurate Effective Surface Area Calculation Based on the Sphere-Packing Approach

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