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Mémoire de Maîtrise
DOI
https://doi.org/10.11606/D.3.2017.tde-07112017-075939
Document
Auteur
Nom complet
Roberto Janny Teixeira Junior
Unité de l'USP
Domain de Connaissance
Date de Soutenance
Editeur
São Paulo, 2017
Directeur
Jury
Paiva, José Luis de (Président)
Franco, Luís Fernando Mercier
Nasser Junior, Roberto
Titre en anglais
On governing equations and closure relations for the multiscale modeling of concentration polarization in solid-oxide fuel cells: mass transfer and concentration-induced voltage losses.
Mots-clés en anglais
Diffusion
Electrochemistry
Heterogeneous catalysis
Mass transfer
Mathematical modeling
Polarization
Porous media
SOFC
Solid-oxide fuel cell
Resumé en anglais
The aim of this dissertation is to appraise and critically reflect on the physical pertinence of governing equations and closure relations often used for the modeling of gas-phase transport phenomena in high-temperature solid-oxide fuel cells (SOFCs). More precisely, this work conducts a critical literature review on the concentration-induced voltage losses (i.e., concentration polarization) resulting from mass transfer limitations. Thus, the overall object of this work was to stress awareness of the limits of mathematical models studied and developed in the SOFC literature to date, and which are specifically related to concentration polarization processes. To a great extent, the design of SOFC porous layers is likened to that of optimizing the transport of multicomponent gas mixtures in structured porous catalysts, for which diffusional and flow limitations are of cardinal importance. In both cases, severe inconsistencies in mass transport models cannot be simply ignored and the main uncertainties in utilizing such models should be clarified. It is hoped that the information herein will serve usefully to support future developments of more consistent theoretical frameworks, thereby improving the confidence on the results of numerical simulations. The critical literature review has been carried out so to identify a number of physical inconsistences, ill-defined approximations, and misleading mathematical derivations. Along the review, it is argued that the choice (or, more properly, the lack of conceptual refinement) of a particular mathematical model can significantly impair the "prediction" of transport processes relevant to concentration-induced power losses in SOFCs. One of the keystones of this work was therefore to re-interpret and thus to reassess the frequently contradictory literature related to certain classes of gas-phase transport models pertinent to the evaluation of concentration polarization. With this revisionary approach, it is expected that one could reduce confusion, clear up apparent contradictions, and improve the possibility of gaining new insights.
Titre en portugais
Sobre as equações de conservação e relações de fechamento para a modelagem multiescala da polarização por concentração em células a combustível de óxido-sólido: transferência de massa e perdas de tensão induzidas por concentração.
Mots-clés en portugais
Células a combustível
Eletroquímica
Polarização
Resumé en portugais
Esta dissertação tem o objetivo de avaliar e refletir criticamente sobre a pertinência física de equações de conservação e de relações de fechamento, frequentemente utilizadas na modelagem multiescala de fenômenos de transporte em células a combustível de óxido-sólido (SOFC). Dêu-se atenção especial ao escoamento em "microescala" de misturas gasosas multicomponentes, dentro de meios porosos quimicamente reativos. Em outras palavras, esta monografia busca ressaltar quais os limites para aplicação de certas classes de modelos matemáticos, os quais têm sido desenvolvidos e utilizados na literatura de SOFCs até o presente momento. O projeto de camadas porosas de SOFCs assemelha-se à tarefa de otimizar processos de transporte em catalisadores estruturados, para os quais a existência de limitações de transporte por difusão e por escoamento tem importância primordial. Por esta razão, inconsistências originadas em modelos de fenômenos de transporte não podem ser, simplesmente, negligenciadas e, portanto, as principais incertezas ao se utilizar tais modelos devem ser devidamente esclarecidas. Espera-se, com efeito, que as informações contidas neste trabalho sejam úteis para futuros desenvolvimentos teóricos mais consistentes, de forma a aumentar a confiabilidade no uso de resultados obtidos por simulações numéricas.
 
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Date de Publication
2017-11-10
 
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