Method to improve catalyst layer model for modelling proton exchange membrane fuel cell

Zhang, Xiaoxian; Gao, Yuan; Ostadi, Hossein; Jiang, Kyle; Chen, Rui

doi:10.1016/j.jpowsour.2015.04.152

Cited by 23 publications

(4 citation statements)

References 44 publications

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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: Proton Exchange Membrane Fuel Cells (Pemfcs)mentioning

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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Section: Proton Exchange Membrane Fuel Cells (Pemfcs)mentioning

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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“….5 [15] The effective rate constant can computed as, ′ = 4 [16] where is the volumetric current density, computed as the ratio of the total current produced in the CL microstructure to its volume, and is the oxygen concentration in the liquid water at the boundary computed using the boundary conditions for the simulations above. Using the Thiele modulus, an effectiveness of 97.4% is computed for a current density of 2.1 A/cm 2 for an agglomerate radius of 100 nm.…”

Section: Electrochemical Performance As a Function Of Saturationmentioning

confidence: 99%

“…These provide the flexibility to perform parametric studies on the composition and structure of the CL to study the corresponding effect on the electrochemical performance but might not be very representative of the microstructure of a real CL. Zhang et al (15) and Sabharwal et al (13) on the other hand have used focused ion beam-scanning electron microscopy (FIB-SEM) based reconstructions to simulate the electrochemical performance.…”

Section: Introductionmentioning

confidence: 99%

Microstructural Analysis of Electrode Performance in Fuel Cells at Varying Water Contents

Sabharwal

Secanell

2018

ECS Trans.

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A novel nucleation based water intrusion algorithm is used to simulate liquid water accumulation in a catalyst layer (CL) microstructure. The algorithm is based on a clustered full morphology model that tracks the liquid water propagation in the CL. A numerical electrode model capable of simulating proton conduction in the ionomer and oxygen transport in the ionomer, gas filled pores and liquid filled pores along with electrochemical reaction at the ionomer-solid interface is used to simulate the electrochemical reactions in the partially saturated CLs at different saturations obtained from the water intrusion algorithm. Simulations on a representative elementary volume of a CL show that the local saturation does not have a significant effect on the current density due to small diffusion length. Analysis of electrochemical performance on a full, 1.8 μm, through-plane cross-section of the CL shows that liquid water accumulation results in mass transport losses of nearly 12% at a saturation of 59.7% even at low volumetric current densities of 4599 A/cm3. The results from the current simulations indicate that a representative elementary volume analysis of the electrochemical performance of the CL at different saturations might not provide insight into the pore-scale electrochemical reactions and full CL simulations might be needed to describe the effects of local flooding in the CL.

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“…Among them, the agglomerate model, which shows the best match with experimental data, 22 has been used more oen to study the related issues of CL in recent years. [23][24][25][26] Moein-Jahromi et al 21 used the agglomerate model to simulate the CL, and the results were compared with those of the homogeneous one. A set of parametric studies were performed, in which the agglomerate size was found to be the Fig.…”

Section: Introductionmentioning

confidence: 99%

Analytical modeling framework for performance degradation of PEM fuel cells during startup–shutdown cycles

Chen

Liu

et al. 2020

RSC Adv.

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Method to improve catalyst layer model for modelling proton exchange membrane fuel cell

Cited by 23 publications

References 44 publications

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

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

Microstructural Analysis of Electrode Performance in Fuel Cells at Varying Water Contents

Analytical modeling framework for performance degradation of PEM fuel cells during startup–shutdown cycles

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