Pore scale modelling of a cathode catalyst layer in fuel cell environment: agglomerate reconstruction and variables optimization

Sousa, Tiago J. C.; Rangel, C. M.

doi:10.1007/s10008-015-3076-4

Cited by 8 publications

(8 citation statements)

References 25 publications

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“…51 Ma et al 52 reported that carbon particles having diameters of 30-40 nm aggregate to form agglomerates of 100-120 nm in diameter. This size range is consistent with SEM images shown in an in situ visualization of the CCL by Zhang et al 53 Similar to several other numerical studies, 54,55 we assumed agglomerates with a size of 100 nm.…”

Section: Effective Oxygen Diffusivitysupporting

confidence: 90%

Effects of Porosity and Water Saturation on the Effective Diffusivity of a Cathode Catalyst Layer

Fathi

Raoof

Mansouri

et al. 2017

J. Electrochem. Soc.

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The performance of a proton exchange membrane fuel cell, PEMFC, is significantly affected by the rate of oxygen diffusion through the cathode catalyst layer, CCL. Continuum-scale modelling of PEMFCs requires knowledge of the effective oxygen diffusivity as a function of CCL porosity and its water saturation. To provide this functionality, we used three-dimensional pore-scale modelling to simulate the diffusion of oxygen under different liquid water saturations in CCLs having different porosity values. Solving the governing equations for immiscible two-phase flow, fluid distributions at different saturation levels were obtained. We show that the presence of liquid water initiates a hindering effect by decreasing the diffusive transport of oxygen. Oxygen diffusion, including dissolution of oxygen into the liquid water phase, was taken into account to calculate effective diffusivity values of the entire domain. The resulting effective diffusivity values showed good agreement with values reported in the literature, which are often based on quasi-empirical relationships. Utilizing a large number of simulation results, a correlation equation was developed for the effective diffusivity of oxygen as a function of porosity and liquid water saturation, which is appropriate to be used for macroscopic modelling of flow and transport in CCLs.

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Section: Effective Oxygen Diffusivitysupporting

confidence: 90%

Effects of Porosity and Water Saturation on the Effective Diffusivity of a Cathode Catalyst Layer

Fathi

Raoof

Mansouri

et al. 2017

J. Electrochem. Soc.

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“…式中, r Pt 指 Pt 颗粒半径, m. 团聚体内的物料守恒方程和 Pt 表面边界条件如下 [58] ：此外, 内部具有离散颗粒的三维团聚模型被提出用于探究 CL 内部的扩散及反应过程 [39,[58][59][60] .…”

Section: 颗粒团聚体模型原理与方程unclassified

Model of catalyst layers for proton exchange membrane fuel cells: Progress and perspective

Hao¹,

Li²,

He³

2022

Chin. Sci. Bull.

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“…Microstructure-resolved (or pore-scale) modeling of PEMFC electrodes solves the equations describing gas transport, charged particle conduction, heat transfer, and the electrochemical reactions on the 3D porous microstructure of electrodes, so that the effects of microstructures are explicitly considered. As for the numerical schemes, the governing equations are typically solved by FVM [174,175,[222][223][224][225], FEM [99,[226][227][228][229] or finite difference method (FDM) [125] approaches when transport in the pores considers only the gas phase. Singh et al [222] constructed the CL structure of the PEMFC electrode by using tomography, and simulated values of the effective oxygen and water vapor diffusivity, proton and electron conductivity, and thermal conductivity using FVM.…”

Section: Accepted Manuscriptmentioning

confidence: 99%

Progress in 3D electrode microstructure modelling for fuel cells and batteries: transport and electrochemical performance

Zhang¹,

Bertei²,

Tariq³

et al. 2019

Prog. Energy

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Electrode microstructure plays an important role in the performance of electrochemical energy devices including fuel cells and batteries. Building a clear understanding of how the performance is affected by the electrode microstructure is necessary to design the optimal electrode microstructure, to achieve better device performance. 3D microstructure modelling enables us to perform simulations directly on a 3D electrode microstructure and thus link structure with performance. This paper provides an extensive review on the current state of the art in 3D microstructure modelling of transport and electrochemical performance for four promising electrochemical energy technologies: solid oxide fuel cells (SOFCs), proton exchange membrane fuel cells (PEMFCs), redox flow batteries (RFBs) and lithium ion batteries (LIBs). Each technology has different electrode microstructures and processes, and thus presents different challenges. The most commonly used modelling methods including the finite element method (FEM) and the finite volume method (FVM) are reviewed, together with the developing lattice Boltzmann method (LBM), with the advantages and disadvantages of each method revealed. Whilst FEM and FVM have been extensively applied in simulating SOFC and LIB electrodes where the methods are capable of dealing with single phase (gas or liquid) transport, they face challenges in simulating the multiphase phenomenon present in PEMFC and some RFB electrodes. LBM is, on the other hand, well suited in simulating gas-liquid two phase flow and applications in PEMFCs and RFBs, as well as single-phase phenomenon in SOFCs and LIBs. The review also points to current challenges in 3D microstructure modelling, including the

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Pore scale modelling of a cathode catalyst layer in fuel cell environment: agglomerate reconstruction and variables optimization

Cited by 8 publications

References 25 publications

Effects of Porosity and Water Saturation on the Effective Diffusivity of a Cathode Catalyst Layer

Effects of Porosity and Water Saturation on the Effective Diffusivity of a Cathode Catalyst Layer

Model of catalyst layers for proton exchange membrane fuel cells: Progress and perspective

Progress in 3D electrode microstructure modelling for fuel cells and batteries: transport and electrochemical performance

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