Multiscale Modeling of Electrochemical Energy Conversion and Storage
Multiscale Modeling of Electrochemical Energy Conversion and Storage

Mesoscale modeling

Prof. Franco is also interested on the following mesoscale level modeling techniques:

 

- Monte Carlo simulation of composite electrodes strucural properties, as function of their composition, with relevance for PEM Fuel Cells, as well as lithium ion batteries;

- Coarse Grain Molecular Dynamics, thanks to a close collaboration with Dr. Kourosh Malek from Simon Fraser University / National Research Council (Vancouver, Canada), for the prediction, for example, of the structural properties of fuel cell electrodes and membranes upon their electrochemical degradation. 

Featured result: Impact of the positive electrode microstructure onto the overall Lithium Air Battery capacity

Prof. Franco and his postdocs were the first to propose a Lithium Air Battery (LAB) computational model capturing the impact of the positive carbon electrodes micro/meso-structural properties onto the overall capacity of the cell (presentations in 2013 within the 64th Annual Meeting of the ISE (Santiago de Queretaro, Mexico) and paper within the ECS J. Solid State Sc. and Technology, the most cited of the journal since 2014). The impact of different carbon Pore Size Distributions (PSDs) onto the cell discharge dynamics can be simulated with this model, which can potentially open new opportunities for the modeling-based optimization of LAB electrodes. 

A continuation of this work has been reported by Prof. Franco in two other publications appeared in the Journal of the Electrochemical Society in 2014 and 2015: in these publications, the model is used to resolve the Li2O2 formation along the cathode thickness and it is completed with a mechanistic description of the so-called Solution Phase Oxygen Reduction Reaction mechanism.    

Contact

Alejandro A. Franco,

Full Professor & 

Junior Member of the 

Institut Universitaire de France

 

E-mail:

alejandro.franco@u-picardie.fr

Phone number:

+33 3 22 82 53 36

 

Institut Universitaire de France

 

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Laboratoire de Réactivité et Chimie des Solides (LRCS)

Université de Picardie Jules Verne - UMR CNRS 7314

HUB de l'Energie, Rue Baudelocque, 80039 Amiens, France

 

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Réseau sur le Stockage Electrochimique de l'Energie (RS2E)

FR CNRS 3459

France

 

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ALISTORE-ERI, European Research Institute

FR CNRS 3104

France

 

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© Prof. Dr. Alejandro A. Franco