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Physical Modeling and Numerical Simulation of Direct Alcohol Fuel Cells

Scales, Mechanisms and Approaches
  • Alejandro A. FrancoEmail author
Chapter

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.

Keywords

Fuel Cell Methanol Oxidation Methanol Concentration Ethanol Oxidation Polymer Electrolyte Membrane 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media Dordrecht 2014

Authors and Affiliations

  1. 1.Laboratoire de Réactivité et de Chimie des Solides (LRCS)Université de Picardie Jules Verne & CNRS, UMR 7314-33Amiens CedexFrance
  2. 2.Réseau sur le Stockage Electrochimique de l’Energie (RS2E)FR CNRS 3459AmiensFrance

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