A particle-based model for predicting the effective conductivities of composite electrodes

Sanyal, Jay; Goldin, Graham M.; Zhu, Huayang; Kee, Robert J.

doi:10.1016/j.jpowsour.2010.04.013

Cited by 85 publications

(45 citation statements)

References 36 publications

(60 reference statements)

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“…sphere radius expansion [32,33,35,37] or overlapping [9,29,31] and creation of necks [34]). Aside from these pure geometrical approaches, the Discrete Element Method (DEM) has also been employed to simulate the initial sphere packing by computing the mechanical contact between the particles [12,38]; while the densification can be simulated by modelling the physical sintering process [12]. All these iterative methods need rather intensive CPU resources especially for the DEM computations.…”

Section: Introductionmentioning

confidence: 99%

Stochastic geometrical modeling of solid oxide cells electrodes validated on 3D reconstructions

Moussaoui

Laurencin

Gavet

et al. 2018

Computational Materials Science

106

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Abstract. An original 3D stochastic model, based on the truncated plurigaussian random fields, has been adapted to simulate the complex microstructure of SOC electrodes. The representativeness of the virtual microstructures has been checked on several synchrotron Xray and FIB-SEM tomographic reconstructions obtained on typical LSCF, LSC and Ni-YSZ electrodes. The validation step has been carried out by comparing numbers of electrode morphological properties as well as the phase effective diffusivities. This analysis has shown that the synthetic media mimic accurately the complex microstructure of typical SOC electrodes. The model capability to simulate different types of promising electrode architectures has also been investigated. It has been shown that the model is able to generate virtual electrode prepared by infiltration resulting in a uniform and continuous thin layer covering a scaffold.With a local thresholding depending on the position, continuous graded electrodes can be also produced. Finally, the model offers the possibility to introduce different correlation lengths for each phase in order to control the local topology of the interfaces. All these cases illustrate the model flexibility to generate various SOC microstructures. This validated and flexible model can be used for further numerical microstructural optimizations to improve the SOC performances.Keyword: Solid Oxide Cell, 3D microstructure model, truncated plurigaussian random fields, X-ray tomography, Electrode design.

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Section: Introductionmentioning

confidence: 99%

Stochastic geometrical modeling of solid oxide cells electrodes validated on 3D reconstructions

Moussaoui

Laurencin

Gavet

et al. 2018

Computational Materials Science

106

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“…[32][33] Here, we adopted the particlepacking method [34][35] as an alternative effective approach. We note that this approach also has been used successfully for microstructure reconstruction in modeling SOFC and Li-ion batteries [36][37][38] , but it has not yet been applied to Li-O 2 battery. In this method, the porous structure is modeled as a packed bed of particles with various sizes and shapes, reflecting the fact that Li-O 2 air electrode is fabricated from powder materials.…”

Section: Reconstruction Of Air Electrode Microstructurementioning

confidence: 99%

Discharge Performance of Li–O₂ Batteries Using a Multiscale Modeling Approach

Bao

Bhattacharya

et al. 2015

J. Phys. Chem. C

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To study the discharge performance of Li-O 2 batteries, we propose a multiscale modeling framework that links models in an upscaling fashion from nanoscale to mesoscale and finally to device scale. We have effectively reconstructed the microstructures of a Li-O 2 air electrode in silico, conserving the porosity, surface-to-volume ratio, and pore size distribution of the real air electrode structure. The mechanism of rate-dependent morphology of Li 2 O 2 growth is incorporated into the mesoscale model. The correlation between the activesurface-to-volume ratio and averaged Li 2 O 2 concentration is derived to link different scales. The proposed approach's accuracy is first demonstrated by comparing the predicted discharge curves of Li-O 2 batteries with experimental results at the high current density. Next, the validated modeling approach effectively captures the significant improvement in discharge capacity due to the formation of Li 2 O 2 particles. Finally, it predicts the discharge capacities of Li-O 2 batteries with different air electrode microstructure designs and operating conditions.

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“…This low concentration of nickel prevents the particles of nickel in the catalyst layer from connecting and forming a conduction path, resulting in very high electrical resistance [15].…”

Section: Sensor Designmentioning

confidence: 99%

“…al. [15] performed simulations of SOFC electrodes which were used to estimate the percolation limit. Sanyal found that cermets with 20% nickel by volume were at the verge of forming conduction pathways.…”

Section: Sensor Designmentioning

confidence: 99%

Development of an impedance-based sensor for detection of catalyst coking in fuel reforming systems

Wheeler

2013

Sensors and Actuators B: Chemical

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A novel sensor for detecting the early stages of catalyst coking in fuel reforming systems has been developed. The sensor was manufactured by inkjet printing a colloidal suspension of ceramic powders to create thin (20 µm) catalytic and conductive elements of the sensor.The catalytic elements are composed of a Ni-YSZ cermet. The Ni-YSZ cermet was prepared with a concentration below the percolation limit (20 vol%) of nickel, ensuring a low electrical conductivity. As coke forms on the catalyst material, the nickel nodules in the Ni-YSZ are connected by electrically conductive carbon and the conductivity of the catalyst material increases, indicating coke formation.Sensors were tested in a 1% ethylene environment to induce coking. The sensor showed a strong response to coking by producing a signal on the order of hundreds of millivolts.

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A particle-based model for predicting the effective conductivities of composite electrodes

Cited by 85 publications

References 36 publications

Stochastic geometrical modeling of solid oxide cells electrodes validated on 3D reconstructions

Stochastic geometrical modeling of solid oxide cells electrodes validated on 3D reconstructions

Discharge Performance of Li–O₂ Batteries Using a Multiscale Modeling Approach

Development of an impedance-based sensor for detection of catalyst coking in fuel reforming systems

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A particle-based model for predicting the effective conductivities of composite electrodes

Cited by 85 publications

References 36 publications

Stochastic geometrical modeling of solid oxide cells electrodes validated on 3D reconstructions

Stochastic geometrical modeling of solid oxide cells electrodes validated on 3D reconstructions

Discharge Performance of Li–O2 Batteries Using a Multiscale Modeling Approach

Development of an impedance-based sensor for detection of catalyst coking in fuel reforming systems

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Discharge Performance of Li–O₂ Batteries Using a Multiscale Modeling Approach