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Physical Modeling and Numerical Simulation of Direct Alcohol Fuel Cells

Scales, Mechanisms and Approaches

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Direct Alcohol Fuel Cells

Abstract

This chapter focuses on the role of physical theory, atomistic/molecular simulation and computational electrochemistry for fundamental understanding, diagnostics and design of new electrochemical materials and operation conditions for Direct Alcohol Fuel Cells (DAFCs). Development of stable and inexpensive materials and components is among the most important technological challenges that DAFCs nowadays are facing. Deep insight based on physical modeling of the materials behavior and aging will advise how these components with optimal specifications could be made and how they can be integrated into operating devices. Ongoing efforts within the community to understand from physical modeling and numerical simulation electrochemical mechanisms and degradation processes in DAFCs are critically reviewed. The capabilities of such approaches to propose innovative procedures (operation strategies and electrodes formulation) to enhance the DAFCs performance and durability are also illustrated through several examples. Finally, emerging multiscale simulation techniques allowing bridging the gap between processes simulated at different scales as well as major challenges and perspectives for DAFC modeling are presented.

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  1. Laboratoire de Réactivité et de Chimie des Solides (LRCS), Université de Picardie Jules Verne & CNRS, UMR 7314-33, rue St. Leu, 80039, Amiens Cedex, France

    Alejandro A. Franco

  2. Réseau sur le Stockage Electrochimique de l’Energie (RS2E), FR CNRS 3459, Amiens, France

    Alejandro A. Franco

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  1. Departamento de Física de la Materia Condensada, Centro Atómico Constituyentes, CNEA, Buenos Aires, Argentina

    Horacio R. Corti

  2. USP São Carlos, Instituto de Química de São Carlos, São Paulo, Brazil

    Ernesto R. Gonzalez

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Franco, A.A. (2014). Physical Modeling and Numerical Simulation of Direct Alcohol Fuel Cells. In: Corti, H., Gonzalez, E. (eds) Direct Alcohol Fuel Cells. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-7708-8_8

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