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


MS LIBER-T is fully modular thanks to the use of infinite dimensional bond graphs. That means that the model represents explicitly the different physical phenomena as nonlinear sub-models in interaction.  Such developed model is a multi-level one in the sense that it is made of a set of interconnected sub-models describing the phenomena occurring at different level in the electrochemical reactor. However, this description remains macroscopic (suitable for engineering applications) in the sense that it is based on irreversible thermodynamic concepts as they are extensively used in chemical engineering: use of conservation laws coupled to closure equations (flux expressions, chemical rate models, thermodynamic models). Such an approach allows to easily modify the sub-models and to test new assumptions keeping the mathematical structure of the model and the couplings.

Because of the universality of the bond graphs language, this approach can allow integrating easily detailed physicochemical models into macroscopic electrical system models for example, where the use of this language is more frequent. 

As an illustrative example, fhe figure on the left shows the bond graph representation of the hydrogen oxidation reaction in PEM Fuel Cell anodes. The elements "MR" are "moduled resistances" which define the reaction rates as function of the chemical potentials of the reaction intermediates, reactants and products and of the surface potential or Frumkin potential  (electrostatic potential jump across the adlayer from the electrolyte to the active material).


Alejandro A. Franco,

Full Professor & 

Junior Member of the 

Institut Universitaire de France



Phone number:

+33 3 22 82 53 36


Institut Universitaire de France




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




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

FR CNRS 3459





ALISTORE-ERI, European Research Institute

FR CNRS 3104



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© Prof. Dr. Alejandro A. Franco