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, Li; Wu, Gang; Holby, Edward F.; Zelenay, Piotr; Tao, Wen‐Quan; Kang, Qinjun

doi:10.1016/j.electacta.2015.01.121

Cited by 127 publications

(47 citation statements)

References 57 publications

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“…This LB mass transport model is adopted in the present study to study the Knudsen diffusion in the organic matter. Besides, D3Q19 lattice model is adopted due to the complex structures studied [28][29][30]. Concentration gradient is applied along x direction while y and z directions are fully periodic.…”

Section: The Lattice Boltzmann Methodsmentioning

confidence: 99%

Pore-scale prediction of transport properties in reconstructed nanostructures of organic matter in shales

Chen

Kang

Pawar

et al. 2015

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h i g h l i g h t sPore morphology in organic matter is discussed. 250 nanoscale structures of the organic matter are reconstructed. Pore connectivity and pore size distributions of organic matter pores are analyzed. Pore-scale modeling is conducted to predict permeability and diffusivity. Apparent permeability is predicted and compared with empirical correlations. a b s t r a c tSize, morphology and distributions of pores in organic matter of shale matrix are discussed based on high resolution images from experiments in the literature. 250 nanoscale structures of the organic matter are then reconstructed by randomly placing pore spheres with different diameters and overlap tolerances. Effects of porosity, the mean diameter and the overlap tolerance on void space connectivity and pore size distribution are studied. Furthermore, a pore-scale model based on the lattice Boltzmann method developed in a previous study is used to predict the Knudsen diffusivity and permeability of the reconstructed organic matter. The simulation results show that the mean pore diameter and overlap tolerance significantly affect the transport properties. The predicted Knudsen effective diffusivity is compared with Bruggeman equation and it is found that this equation underestimates the tortuosity. A modified Bruggeman equation is proposed based on the simulation results. The predicted intrinsic permeability is in acceptable agreement with Kozeny-Carman (KC) equation. In addition, the apparent permeability is determined based on Knudsen diffusivity and intrinsic permeability predicted. The apparent permeability is compared with that obtained with various correlations in the literature. Knudsen's correlations match best with our numerical results and are recommended for calculating the apparent permeability.

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Section: The Lattice Boltzmann Methodsmentioning

confidence: 99%

Pore-scale prediction of transport properties in reconstructed nanostructures of organic matter in shales

Chen

Kang

Pawar

et al. 2015

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“…The Pt/C-ionomer complexes (i.e., the Pt/C catalysts partially covered by ionomers) should bond to each other to form a physically interconnected structure [31], as shown in Fig. 1(c).…”

Section: Statistical Procedures For Quasi-random Catalyst Modeling Bymentioning

confidence: 99%

“…2(a); uniform deposition of the Pt catalysts on the carbon sphere surfaces; a random probability distribution of the carbon spheresupported catalyst and pore fractional compositions; the presence of ionomers on the carbon sphere surfaces or as a physical binder [30,31], as shown in Fig. 1(c); no impregnation of the catalyst layers by the GDM or membranes; and a 95% confidence level.…”

Section: Model Assumptionsmentioning

confidence: 99%

Statistical prediction of fuel cell catalyst effectiveness: Quasi-random nano-structural analysis of carbon sphere-supported platinum catalysts

Shin

Kim

2016

International Journal of Hydrogen Energy

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“…Figure 9 gives the corresponding pore size distribution of these six disordered porous structures. The pore size distribution is calculated based on the directional average method [33,34]. At each void point, we start counting the pore length along specified directions until reaching a solid point.…”

Section: Disordered Porous Mediummentioning

confidence: 99%

Lattice Boltzmann Simulation of Mass Transfer Coefficients for Chemically Reactive Flows in Porous Media

Zhao

Shi

et al. 2018

Journal of Heat Transfer

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We present lattice Boltzmann (LB) simulations for the mass transfer coefficient from bulk flows to pore surfaces in chemically reactive flows for both ordered and disordered porous structures. The ordered porous structure under consideration consists of cylinders in a staggered arrangement and in a line arrangement, while the disordered one is composed of randomly placed cylinders. Results show that the ordered porous structure of staggered cylinders exhibits a larger mass transfer coefficient than ordered porous structure of inline cylinders does. It is also found that in the disordered porous structures, the Sherwood number (Sh) increases linearly with Reynolds number (Re) at the creeping flow regime; the Sh and Re exhibit a one-half power law dependence at the inertial flow regime. Meanwhile, for Schmidt number (Sc) between 1 and 10, the Sh is proportional to Sc0.8; for Sc between 10 and 100, the Sh is proportional to Sc0.3.

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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

Cited by 127 publications

References 57 publications

Pore-scale prediction of transport properties in reconstructed nanostructures of organic matter in shales

Pore-scale prediction of transport properties in reconstructed nanostructures of organic matter in shales

Statistical prediction of fuel cell catalyst effectiveness: Quasi-random nano-structural analysis of carbon sphere-supported platinum catalysts

Lattice Boltzmann Simulation of Mass Transfer Coefficients for Chemically Reactive Flows in Porous Media

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