Random pore-network model for polymer electrolyte membranes

Berg, Peter; Nadon, Philippe

doi:10.1039/d0sm02212h

Cited by 3 publications

(3 citation statements)

References 37 publications

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“…On 3D networks, the power law was closer to −1.5; 3D networks converge more quickly as network size increases. The faster convergence behaviour of 3D networks was not unexpected, and the results were inline with RSD values from another PNM study of transport within porous media [3].…”

Section: Discussionsupporting

confidence: 85%

“…This is of the right magnitude but somewhat smaller than results found from PNM simulations undertaken by Berg and Nadon [3]. There, it was determined that a 3D network size of n = 24 was needed to get the RSD values below 2 %.…”

Section: B Reduced Standard Deviationmentioning

confidence: 69%

“…PNMs were initially mostly used within fields of Earth sciences, modelling the flow of fluids through porous rock or soil. Since then, their uses and applications have spread into many other fields, from nuclear waste man-agement to electrochemical energy systems [3,11,25].…”

Section: B Pore-network Modellingmentioning

confidence: 99%

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Pore-network models and effective medium theory: A convergence analysis

Edwards,

Berg

2021

Preprint

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The convergence between effective medium theory and pore-network modelling is examined. Electrical conductance on two and three-dimensional cubic resistor networks is used as an example of transport through composite materials or porous media. Effective conductance values are calculated for the networks using effective medium theory and pore-network models. The convergence between these values is analyzed as a function of network size. Effective medium theory results are calculated analytically and numerically. Pore-network results are calculated numerically using Monte Carlo sampling. The reduced standard deviations of the Monte Carlo sampled pore-network results are examined as a function of network size. Finally, a "quasi-two-dimensional" network is investigated to demonstrate the limitations of effective medium theory when applied to thin porous media. Power law fits are made to these data to develop simple models governing convergence. These can be used as a guide for future research that uses both effective medium theory and pore-network models.

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Section: Discussionsupporting

confidence: 85%

Section: B Reduced Standard Deviationmentioning

confidence: 69%

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Pore-network models and effective medium theory: A convergence analysis

Edwards,

Berg

2021

Preprint

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An engineering perspective on the future role of modelling in proton exchange membrane water electrolysis development

Bensmann

Rex

Hanke‐Rauschenbach

2022

Current Opinion in Chemical Engineering

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Conditions for electroneutrality breakdown in nanopores

Green

2021

The Journal of Chemical Physics

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It has recently been suggested that a breakdown of electroneutrality occurs in highly confined nanopores that are encompassed by a dielectric material. This work elucidates the conditions for this breakdown. We show that the breakdown within the pore results from the response of the electric field within the dielectric. Namely, we show that this response is highly sensitive to the boundary condition at the dielectric edge. The standard Neumann boundary condition of no-flux predicts that the breakdown does not occur. However, a Dirichlet boundary condition for a zero-potential predicts a breakdown. Within this latter scenario, the breakdown exhibits a dependence on the thickness of the dielectric material. Specifically, infinite thickness dielectrics do not exhibit a breakdown, while dielectrics of finite thickness do exhibit a breakdown. Numerical simulations confirm theoretical predictions. The breakdown outcomes are discussed with regard to single pore systems and multiple pore systems.

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Random pore-network model for polymer electrolyte membranes

Abstract: Flow reversal (“back diffusion”) in Nafion: electro-osmotic coefficient as a function of humidification levels at anode and cathode.

Cited by 3 publications

References 37 publications

Pore-network models and effective medium theory: A convergence analysis

Pore-network models and effective medium theory: A convergence analysis

An engineering perspective on the future role of modelling in proton exchange membrane water electrolysis development

Conditions for electroneutrality breakdown in nanopores

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