A non-electroneutral model for complex reaction-diffusion systems incorporating species interactions

Geraint Minton, Rajlakshmi Purkayastha, Leo Lue

Research output: Contribution to journal › Article

1 Citation (Scopus)

Abstract

In this study we develop a general framework for describing reaction-diffusion processes in a multi-component electrolyte in which multiple reactions of different types may occur. Our motivation for this is the need to understand how the interactions between species and processes occurring in a complex electrochemical system. We use the framework to develop a modified Poisson-Nernst-Planck model which accounts for the excluded volume interaction (EVI) and incorporates both electrochemical and chemical reactions. Using this model, we investigate how the EVI influences the reactions and how the reactions influence each other in the contexts of the equilibrium state of a system and of a simple electrochemical device under load. Complex behaviour quickly emerges even in relatively simple systems, and deviations from the predictions of ideal solution theory, together with how they may influence the behaviour of more complex system, are discussed.
LanguageEnglish
PagesE3276-E3290
Number of pages15
JournalJournal of the Electrochemical Society
Volume164
Issue number11
DOIs
Publication statusPublished - 31 May 2017

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Electrolytes
Large scale systems
Chemical reactions

Keywords

  • excluded volume interaction
  • electrochemical reactions
  • chemical reactions

Cite this

Minton, Geraint ; Purkayastha, Rajlakshmi ; Lue, Leo. / A non-electroneutral model for complex reaction-diffusion systems incorporating species interactions. In: Journal of the Electrochemical Society. 2017 ; Vol. 164, No. 11. pp. E3276-E3290.
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Minton, G, Purkayastha, R & Lue, L 2017, 'A non-electroneutral model for complex reaction-diffusion systems incorporating species interactions' Journal of the Electrochemical Society, vol. 164, no. 11, pp. E3276-E3290. https://doi.org/10.1149/2.0281711jes

A non-electroneutral model for complex reaction-diffusion systems incorporating species interactions. / Minton, Geraint; Purkayastha, Rajlakshmi; Lue, Leo.

In: Journal of the Electrochemical Society, Vol. 164, No. 11, 31.05.2017, p. E3276-E3290.

Research output: Contribution to journal › Article

TY - JOUR

T1 - A non-electroneutral model for complex reaction-diffusion systems incorporating species interactions

AU - Minton, Geraint

AU - Purkayastha, Rajlakshmi

AU - Lue, Leo

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Y1 - 2017/5/31

N2 - In this study we develop a general framework for describing reaction-diffusion processes in a multi-component electrolyte in which multiple reactions of different types may occur. Our motivation for this is the need to understand how the interactions between species and processes occurring in a complex electrochemical system. We use the framework to develop a modified Poisson-Nernst-Planck model which accounts for the excluded volume interaction (EVI) and incorporates both electrochemical and chemical reactions. Using this model, we investigate how the EVI influences the reactions and how the reactions influence each other in the contexts of the equilibrium state of a system and of a simple electrochemical device under load. Complex behaviour quickly emerges even in relatively simple systems, and deviations from the predictions of ideal solution theory, together with how they may influence the behaviour of more complex system, are discussed.

AB - In this study we develop a general framework for describing reaction-diffusion processes in a multi-component electrolyte in which multiple reactions of different types may occur. Our motivation for this is the need to understand how the interactions between species and processes occurring in a complex electrochemical system. We use the framework to develop a modified Poisson-Nernst-Planck model which accounts for the excluded volume interaction (EVI) and incorporates both electrochemical and chemical reactions. Using this model, we investigate how the EVI influences the reactions and how the reactions influence each other in the contexts of the equilibrium state of a system and of a simple electrochemical device under load. Complex behaviour quickly emerges even in relatively simple systems, and deviations from the predictions of ideal solution theory, together with how they may influence the behaviour of more complex system, are discussed.

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JO - Journal of the Electrochemical Society

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Minton G, Purkayastha R, Lue L. A non-electroneutral model for complex reaction-diffusion systems incorporating species interactions. Journal of the Electrochemical Society. 2017 May 31;164(11):E3276-E3290. https://doi.org/10.1149/2.0281711jes

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