Context

Challenges facing the humanity today include the climate change, the depletion of fossil resources and the fast increasing energy demand. Within the spectrum of power generators suitable in a sustainable World, electrochemical devices for energy storage are called to play an important role. Although it is a relatively “old” technology, the so-called lithium sulfur battery (LSB) is currently receiving much attention for automotive applications due to its supreme energy density.

However, designing appropriate LSBs for automotive applications is a challenging task facing several technical problems mainly related to their complex operation principles involving multiple electrochemical reaction mechanisms and transport processes occurring in hosting materials with high structural complexity.

Thanks to the development of the modern 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 electrochemical cells for energy conversion and storage. These innovative approaches, for which our laboratory has a unique expertise, allow linking the chemical/microstructural properties of materials and components with their macroscopic efficiency. In combination with dedicated experiments, they can tremendously support the progress in designing and optimizing the next-generation cells.

PhD objectives

Within the context of a project supported by the European Commission and starting in June 2015, we are proposing a novel PhD project aiming to develop a new generation of multiscale models of LSBs. The models will be designed in a way to capture the relevant physical chemistry, electrochemistry and transport processes, and will permit, after appropriate experimental validation, support the design of innovative LSBs.

The approach adopted will be supported on a bottom-up non-equilibrium thermodynamics framework with statistical physics which will allow deriving continuum ordinary and partial differential equations describing the relevant physicochemical mechanisms. These equations will be numerically solved in transient conditions at multiple materials and scales by using parameters to be extracted from lower scales simulation methods and/or appropriate experimental characterizations.

Candidate profile

The candidate should have an initial background in physical chemistry/chemical or electrochemical engineering, with demonstrated strong competences on continuum modeling and simulation (e.g. numerical methods such as finite volume, experience in using computational software such as Comsol Multiphysics, Matlab…etc.). The applicant should have an engineer or MSc level and demonstrate excellence in his/her studies. He/she should be a motivated, open-minded, highly dynamic and team-player person.

Publications, participation in international conferences, and even patent applications, will be strongly encouraged. Applicants should have fluent English as the PhD student will actively interact with the other project partners. The PhD student will benefit from an intellectually highly stimulating environment at LRCS, and from frequent contacts with the laboratories of the French Network on Electrochemical Energy Storage (RS2E) and of the ALISTORE European Research Institute on Electrochemical Energy Storage, in which LRCS is a main actor.

Application modalities

The PhD thesis will start in October 2015 and the place of work will be our laboratory, LRCS, in Amiens, France.

Please send your CV together with a motivation letter and the name of 3 reference persons to:

Prof. Alejandro A. Franco, Laboratoire de Réactivité et Chimie des Solides– Université de Picardie Jules Verne & CNRS UMR 7314 – Amiens, France : [email protected]

References

1. LRCS website: https://www.u-picardie.fr/labo/lrcs/

2. Prof. Franco’s research activities website: http://www.modeling-electrochemistry.com

3. A.A. Franco, C. Frayret, Modeling in the design of batteries for large and medium-scale energy storage, book chapter in: Advances in batteries for large- and medium-scale energy storage, edited by C. Menictas, M. Skyllas-Kazacos, T.M. Lim, Woodhead/Elsevier publishing (2014).

4. A.A. Franco, Multiscale modelling and numerical simulation of rechargeable lithium ion batteries: concepts, methods and challenges.RSC Advances,3, 13027 (2013).

5. K. H. Xue, E. McTurk, L. Johnson, P.G. Bruce, A.A. Franco, A Comprehensive Model for Non-Aqueous Lithium Air Batteries Involving Different Reaction Mechanisms.Journal of The Electrochemical Society,162, A614 (2015).

6. S. Strahl, A. Husar, A.A. Franco, Electrode structure effects on the performance of open-cathode Proton Exchange Membrane Fuel Cells: a multiscale modeling approach, International Journal of Hydrogen Energy, 39 (18) 9752 (2014).