Fuel Cells and Batteries In Silico Experimentation Through Integrative Multiscale Modeling

Part of the Green Energy and Technology book series (GREEN)


Devices for electrochemical energy conversion and storage exist at different levels of development, from the early stages of R&D to mature and deployed technologies. Thanks to the very significant progresses achieved in the field of computational science over the past few decades, multiscale modeling and numerical simulation are emerging as powerful tools for in silico studies of mechanisms and processes in these devices. These innovative approaches allow linking the chemical/microstructural properties of materials and components with their macroscopic efficiency. In combination with dedicated experiments, they can potentially provide tremendous progress in designing and optimizing the next-generation electrochemical cells. This chapter provides a comprehensive overview of the theory and practical aspects of integrative multiscale modeling tools within the context of fuel cells and rechargeable batteries. Additionally, the chapter discusses technical dreams and methodological challenges that computational science is facing today in order to help developing efficient, durable, and low-cost electrochemical energy devices but also to trigger major technological breakthroughs.


Composite Electrode Multiscale Modeling Dissipative Particle Dynamics Solid Electrolyte Interphase Kinetic Monte Carlo 
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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© Springer-Verlag London 2016

Authors and Affiliations

  1. 1.Laboratoire de Réactivité et Chimie des SolidesUniversité de Picardie Jules Verne and CNRSAmiens CedexFrance
  2. 2.Réseau sur le Stockage Electrochimique de l’Energie (RS2E)FR CNRS 3459Amiens CedexFrance
  3. 3.ALISTORE European Research InstituteFR CNRS 3104Amiens CedexFrance

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