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

Oral presentations

[COI-065] C. Gaya, A. Torayev, Y. Yin, C. Surcin, D. Larcher, B. Fleutot, M. Morcrette, A. A. Franco, "Impacts of the Electrode Fabrication Process on the Performances of Lithium-Oxygen Batteries", oral presentation at the  68th annual meeting of the International Society of Electrochemistry (Providence, USA, August 27 - September 1, 2017).

 

[COI-064] G. Shukla, D. del Olmo Diaz, V. Thangavel, A. A. Franco, "Modeling slurry electrodes for redox flow batteries using kinetic Monte Carlo", oral presentation at the 231st ECS Meeting (New Orleans, USA, May 28 – June 1, 2017). 

 

[COI-063] Y. Yin, C. Gaya, A. Torayev, V. Thangavel, D. Larcher, A.A. Franco, "Multi-Scale Modeling and Experimental Characterization of Charge Process of Li-O2 Batteries: Impacts of Particle Size and Cycling History", oral presentation at the 231st ECS Meeting (New Orleans, USA, May 28 – June 1, 2017). 

 

[COI-062] Y. Yin, R. Zhao, Y. Deng,  A.A. Franco, "Meso-Scale Model of Li2O2 Formation in Li-O2 Batteries: Compactness of Thin Film and Its Link to Charge Transport Mechanism", oral presentation at the 231st ECS Meeting (New Orleans, USA, May 28 – June 1, 2017). 

 

[COI-061] V. Thangavel, M. Quiroga, M. Morcrette, A.A. Franco, "Microstructurally resolved multiscale models to study the effects of C/S cathode microstructures used in Lithium Sulfur Batteries", oral presentation in the  "Lithium Sulfur Batteries: Mechanisms, Modelling and Materials" conference (London, UK, April 27, 2017).

 

[COI-060] Y. Yin, A. Torayev, C. Gaya, D. Larcher, A.A. Franco, "Understanding the role of Li2O2 particle size on Li-O2 battery charge process", oral presentation at the 20th Topical Meeting of the International Society of Electrochemistry (ISE) (Buenos Aires, Argentina, March 19-22, 2017).

 

[COI-059]  A.A. Franco, G. Shukla, G. Blanquer, Y. Yin, M. Quiroga, K.H. Xue, T.K. Nguyen,  "Computational Data Mining to Boost the Next Generation Batteries R&D: the Electrode Architecture", oral presentation in the 66th Topical Meeting of the International Society of Electrochemistry (ISE) (Taipei, Taiwan, October 4-9, 2015).

 

      Link to the conference website

 

[COI-058] Y. Yin, M. A. Quiroga, G. Blanquer, A.A. Franco,  "Boosting Lithium Air Batteries from Multiscale Modeling", oral presentation in the 66th Topical Meeting of the International Society of Electrochemistry (ISE) (Taipei, Taiwan, October 4-9, 2015).

 
 

[COI-057] T.-K. Nguyen, A. El Kharbachi, K.-H. Xue, V. Thangavel, M. Quiroga, D. Larcher, A. A. Franco,“Investigating transient phenomena in Lithium Ion Batteries: a multiscale modeling approach” , oral presentation in the 17th Topical Meeting of the International Society of Electrochemistry (ISE), Saint Malo, France, May 31-June 3, 2015).

 

[COI-056] K.-H. Xue, M. Morcrette, C. Guery, A.A. Franco,  "Multiscale modeling of lithium sulfur battery involving cathode carbon microstructure", oral presentation in the 16th Topical Meeting of the International Society of Electrochemistry (ISE) (Angra dos Reis, Brazil, March 22-26, 2015).

 

      Link to the conference website

 

[COI-055] A.A. Franco, M.L. Doublet, T.K. Nguyen, J. P. Chehab, Y. Mammeri,  "Ab initio-based Multiscale Simulations of Conversion Reactions in Lithium Ion Batteries", oral presentation in the 225th Annual Meeting of the ECS (Orlando, USA, May 11-15, 2014).

 

Link to the abstract

 

 

[COI-054] M. Quiroga, K.H. Xue, T.K. Nguyen, H. Huang, A.A. Franco, "Electrochemical Double Layers in Electrochemical Energy Storage and Conversion: A Multiscale Simulation Study", oral presentation in the 225th Annual Meeting of the ECS (Orlando, USA, May 11-15, 2014).

 

Link to the abstract

 

 

[COI-053] M. Quiroga, K.H. Xue, T.K. Nguyen, H. Huang, M. Tulodziecki, A.A. Franco, "A New Model of Non-Equilibrium Electrochemical Interfaces in Electrochemical Energy Conversion", oral presentation in the incoming 15th Topical Meeting of the International Society of Electrochemistry (Niagara Falls, Canada, April 27-30, 2014).

[COI-052] A.A. Franco, "Conversion reactions in lithium ion and lithium air batteries: from multiscale modeling to the electrodes rational design", oral presentation in the 64th Annual Meeting of the International Society of Electrochemistry, (Santiago de Queretaro, Mexico, September 8-13, 2013).

[COI-051] A.A. Franco, "Top-down and bottom-up modeling paradigms for the simulation of batteries and supercapacitors", oral presentation in the International Workshop on Multiscale Modeling of Materials for Energy Conversion Applications, (Athens, Greece, November 8-9, 2012).

[COI-050] A.A. Franco, "Multiple degradation mechanisms in PEM Fuel Cells: a modeling study", oral presentation in the 63rd Annual Meeting of the International Society of Electrochemistry (Prague, Czech Republic, August 19-24, 2012).

[COI-049] Y. Suzue, A.A. Franco, T. Mashio, A. Ohma, K. Shinohara, "Modeling of the Pt/Nafion interface in PEMFC catalyst layers and reaction kinetics by an ab initio based mean field approach", oral presentation in the 63rd Annual Meeting of the International Society of Electrochemistry (Prague, Czech Republic, August 19-24, 2012).

[COI-048] L. F. Lopes Oliveira, C. Jallut, A.A. Franco, "Multiscale modeling study of the electrochemical and transport mechanisms in PEM Water Electrolyzers", oral presentation in the 63rd Annual Meeting of the International Society of Electrochemistry (Prague, Czech Republic, August 19-24, 2012).

[COI-047] A.A. Franco, "A multiscale physical model of electrochemical storage systems", oral presentation in the 221st Meeting of the ECS (Seattle, USA, May 6-10, 2012).

[COI-046] A.A. Franco, V. Vetere, B. Deguilhem, S. Laref, "Towards a multiscale simulation tool of lithium ion graphite/FePO4 batteries", oral presentation in the 221st Meeting of the ECS (Seattle, USA, May 6-10, 2012).

[COI-045] A.A. Franco,"Materials electrochemical degradation mechanisms in PEM Fuel Cells: new insights from a multiscale modeling approach", oral presentation in the 221st Meeting of the ECS (Seattle, USA, May 6-10, 2012).

[COI-044] A.A. Franco, L.F. Lopes Oliveira, C. Jallut, "A new multiscale physical model for the transient analysis of PEM water electrolyzers", oral presentation in the 221st Meeting of the ECS (Seattle, USA, May 6-10, 2012).

[COI-043] A.A. Franco, R. Coulon, K. Malek, "A microstructural resolved model of PFSA membranes degradation in PEM Fuel Cells", oral presentation in the 221st Meeting of the ECS (Seattle, USA, May 6-10, 2012).

[COI-042] K. Malek, A.A. Franco,"Mesoscale simulations of Nafion degradation in PEM Fuel Cells", oral presentation in the 221st Meeting of the ECS (Seattle, USA, May 6-10, 2012).

[COI-041] D.D. Borges, S. Mossa, G. Gebel, K. Malek, A.A. Franco, "Effect of surface hydrophilicty on the formation of Nafion thin film inside PEMFC catalyst layers: a computational modeling study", oral presentation in the 221st Meeting of the ECS (Seattle, USA, May 6-10, 2012).

[COI-040] A.A. Franco,Y. Suzue, R. Ferreira de Morais, A. Kachmar, T. Mashio, A. Ohma, K. Shinohara, "Multiscale modeling of electrochemical double layer formation on Pt electrodes covered by Nafion Fuel Cell catalysts", oral presentation in the 221st Meeting of the ECS (Seattle, USA, May 6-10, 2012).

[COI-039] A.A. Franco, K. Malek, "Multiscale modeling of degradation processes in PEM fuel cells", International Conference on Multiscale Approaches for Process Innovation (Lyon, France, January 25, 2012).

[COI-038] R. Ferreira de Morais, D. Loffreda, Ph. Sautet, A.A. Franco, "A multiscale kinetic modeling investigation of oxygen reduction reaction on Pt(111) and Pt3Ni(111)-based PEM fuel cell cathode",  International Conference on Multiscale Approaches for Process Innovation (Lyon, France, January 25, 2012).

[COI-037] R. Coulon, W. Bessler, A.A. Franco, “Modeling of the Chemical Degradation of PFSA Membranes and its Impact on the PEM Fuel Cell Performance”, oral presentation on the 2nd International  Workshop  on  Degradation  Issues  of  Fuel  Cells  (Thessaloniki,  Greece, September 21-23, 2011).

[COI-036] Y. Suzue, A.A. Franco, A. Kachmar, T. Mashio, A. Ohma, K. Shinohara, "Multiscale Modeling of Ionomer Adsorption on Pt Nanoparticles: Mechanisms and Consequences on the PEMFC ORR", oral presentation in the 62nd Annual Meeting of the International Society of Electrochemistry (Niigata, Japan, September 11 – 16, 2011).

[COI-035] L. F. Lopes Oliveira, C. Jallut, A.A. Franco, "Electrochemical and Transport Mechanisms in PEM Water Electrolyzers: New Insights from a Multiscale Modeling Study",oral presentation in the 62nd Annual Meeting of the International Society of Electrochemistry (Niigata, Japan, September 11 – 16, 2011).

[COI-034] R. Ferreira de Morais, D. Loffreda, P. Sautet, A.A. Franco, “A Multiscale Kinetic Modeling Investigation of the ORR in a Pt(111) and Pt3Ni(111)-Based PEMFC Cathode", oral presentation in the 219th Meeting of the American Electrochemical Society (ECS), (Montreal, Canada), May 1-6, 2011.

[COI-033] A.A. Franco, “On the Impact of Water Management on the Reversible vs. Irreversible Performance Degradation in PEM Fuel Cells: Mitigation of Materials Aging by Sacrificial Materials Aging Mechanisms", oral presentation in the 219th Meeting of the American Electrochemical Society (ECS), (Montreal, Canada), May 1-6, 2011.

[COI-032] A.A. Franco, L.F.  Lopes Oliveira, E. Mayousse, N. Guillet, C. Jallut, “A Multiscale Mechanistic Model for the Transient Analysis of PEM Water Electrolyzers", oral presentation in the 219th Meeting of the American Electrochemical Society (ECS), (Montreal, Canada), May 1-6, 2011.

[COI-031] F. Nores Pondal, N. Guillet, A.A. Franco, “Bimetallic Electrocatalyst and Magnetically Improved Oxygen Reduction Reaction in PEFC", oral presentation in the 219th Meeting of the American Electrochemical Society (ECS), (Montreal, Canada), May 1-6, 2011.

[COI-030] S.K. Cheah, O. Lemaire, L. Guetaz, O. Sicardy,  P. Gelin, A.A. Franco, “Mechanistic Investigation of the Pt-Based Nanocatalysts Structural Properties Impact on the Effectiveness of O2 Bleeding in CO Contaminated PEM Fuel Cell Anodes ”, oral presentation in the 219th Meeting of the American Electrochemical Society (ECS), (Montreal, Canada), May 1-6, 2011.

[COI-029] A.A. Franco, S. Escribano, R. Vincent, L. Guetaz, “Resolving the role of water transport on the competitive degradation mechanisms in a PEMFC MEA: a modeling approach”, oral presentation at the 61st Annual Meeting of the International Society of Electrochemistry (ISE), (Nice, France), September 26-October 1st, 2010.

[COI-028] A.A. Franco, K. Malek, “Degradation mechanisms in PEMFC: new insights from a mesostructural resolved kinetic modeling approach”, oral presentation at the 217th Meeting of the American Electrochemical Society (ECS) (Vancouver, Canada), April 25-30, 2010.

[COI-027] A.A. Franco, S.-K. Cheah, O. Lemaire, “Hysteresis phenomena in PEM Fuel Cells materials degradation: a multi-scale modelling viewpoint”, oral presentation at the 217th Meeting of the American Electrochemical Society (ECS) (Vancouver, Canada), April 25-30, 2010.

[COI-026] A.A. Franco, O. Lemaire, “Competitions and synergies between electrochemical aging mechanisms in PEM Fuel Cells”, oral presentation at the 217th Meeting of the American Electrochemical Society (ECS) (Vancouver, Canada), April 25-30, 2010.

[COI-025] A.A. Franco, “Nanostructured electrocatalysts degradation in PEM Fuel Cells: key role of the electrochemical interface in engineering practice”, oral presentation at the 216th Meeting of the American Electrochemical Society (ECS) (Vienna, Austria), October 4-9, 2009.

[COI-024] A.A. Franco, B. Barthe, O. Lemaire, “Mechanistic Investigations of NO2 Impact on ORR in PEM Fuel Cells: A Coupled Experimental and Multi-scale Modeling Approach”, oral presentation at the 216th Meeting of the American Electrochemical Society (ECS) (Vienna, Austria), October 4-9, 2009.

[COI-023] R. Coulon, W. Bessler, A.A. Franco, “Modeling chemical degradation of a polymer electrolyte membrane and its impact on fuel cell performance”, oral presentation at the 216th Meeting of the American Electrochemical Society (ECS) (Vienna, Austria), October 4-9, 2009.

[COI-022] M.A. Gabriel, T. Deutsch, A.A. Franco, “Fullerene-Based Materials as Catalysts for Fuel Cells”, oral presentation at the 216th Meeting of the American Electrochemical Society (ECS) (Vienna, Austria), October 4-9, 2009.

[COI-021] A. Kachmar, V. Vetere, P. Maldivi, V. Artero, A.A. Franco, “Bio-Inspired Materials for H2 Production and Oxidation: Multi-scale Mechanistic Modeling of the Electrocatalytic Processes on [Ni (PNP)2]2+ Complexes”, oral presentation at the 216th Meeting of the American Electrochemical Society (ECS) (Vienna, Austria), October 4-9, 2009.

[COI-020] A.A. Franco, B. Barthe, O. Lemaire, “Using anode CO contamination as a mitigation method of cathode carbon corrosion in PEMFC”, oral presentation at the 215th Meeting of the American Electrochemical Society (ECS) (San Francisco, USA), May 24-29, 2009.

[COI-019] A.A. Franco, S. Escribano, O. Lemaire, “Polymer electrolyte membrane degradation in fuel cells environments : interplaying with Pt and C nanomaterials aging mechanisms – A multiscale modeling viewpoint”, oral presentation at the 215th Meeting of the American Electrochemical Society (ECS) (San Francisco, USA), May 24-29, 2009.

[COI-018] A.A. Franco, S.K. Cheah, R. Ferreira de Morais, “Non-equilibrium Interfacial Electrochemical Phenomena in Aging PEM Fuel Cells: A New Theory for Multi-scale Simulation of Nano-structured Catalysts Degradation and Durability Prediction”, oral presentation at the 215th Meeting of the American Electrochemical Society (ECS) (San Francisco, USA), May 24-29, 2009. 

[COI-017] M.A. Gabriel, T. Deutsch, A.A. Franco, “Modeling of electro-catalytic phenomena in fullerene-based nano-objects for PEFC applications”, oral presentation at the 6th Symposium on Fuel Cell Modeling and Experimental Validation (MODVAL 6) (Karlsruhe, Germany), March 25-26, 2009.

[COI-016] P. Fugier, A. A. Franco, S. Passot, E. Billy, S. Mailley, L. Guetaz, N. Guillet, “PtxCoy catalysts for PEFC applications: new understanding on the impact of particles nano-structure on performance degradation”, oral presentation at the Fundamentals and Developments of Fuel Cells Conference (Nancy, France), December 10-12, 2008.

[COI-015] A.A. Franco, S. Passot, N. Guillet, L. Guetaz, B. Barthe, M. Guinard, M. Gerard, O. Lemaire, “Synergies between ageing mechanisms in PEFC environments: new insights from a multi-scale/multi-physics modeling investigation and experimental validation”, oral presentation at the Fundamentals and Developments of Fuel Cells Conference (Nancy, France), December 10-12, 2008.

[COI-014] A.A. Franco, “Synergies Between Ageing Mechanisms in PEFC Environments: New Insights from a Multi-Scale/Multi-Physics Modeling Viewpoint”, oral presentation at the 2nd EuChems Chemistry Congress (Torino, Italy), September 16-20, 2008.

[COI-013] A.A. Franco, S. Passot, E. Billy, S. Mailley, L. Guetaz, N. Guillet, P. Fugier, “Degradation of nano-structured PtxCoy catalysts in PEFC: new insights from a multi-scale modeling approach”, oral presentation at the 59th Annual Meeting of the International Society of Electrochemistry (ISE) (Seville, Spain), September 7-12, 2008.

[COI-012] A.A. Franco, S. Passot, M. Guinard, M. Gerard, “Coupling of ageing mechanisms in PEFC environments: new insights from a multi-scale modeling investigation”, oral presentation at the 59th Annual Meeting of the International Society of Electrochemistry (ISE) (Seville, Spain), September 7-12, 2008.

[COI-011] O. Lemaire, A. A. Franco, M. Guinard, B. Barthe, N. Guillet, “PEFC anode long-term CO contamination impact on intrinsic catalyst and C-support ageing mechanisms: new advances on durability understanding”, oral presentation at the 59th Annual Meeting of the International Society of Electrochemistry (ISE) (Seville, Spain), September 7-12, 2008.

[COI-010] A.A. Franco, “Solid state physics in Fuel Cells Electrochemistry: theory and experiments”, oral presentation at the V France-Spain Conference on Solid State Physicochemistry (Clermont-Ferrand, France), April 2-4, 2008.

[COI-009] A.A. Franco, S. Passot, P. Fugier, “Transient multi-scale modeling of PtxCoy catalysts degradation in PEFC environments”, oral presentation at the 213th Electrochemical Society Meeting (Phoenix, USA), May 18-23, 2008.

[COI-008] A.A. Franco, M. Gerard, “Transient model of carbon catalyst-support corrosion in a PEFC: multi-scale coupling with Pt electro-catalysis and impact on performance degradation”, oral presentation at the 213th Electrochemical Society Meeting (Phoenix, USA), May 18-23, 2008.

[COI-007] A.A. Franco, “Coupled aging mechanisms in PEFC: a theoretical multi-scale viewpoint”, oral presentation at the CARISMA European Network Workshop: High Temperature Fuel Cells, and ageing mechanisms (Grenoble, France) July 5-6, 2007.

[COI-006] A.A. Franco, “Modeling the behavior of nano-structured electro-catalysis in PEFC environments: looking for activity/stability relationships”, oral presentation at the CARISMA European Network Workshop: “Catalysts for PEFC applications” (Paris, France), May 16 2007.

[COI-005] A.A. Franco, C. Jallut, B.M. Maschke, “A multi-scale Bond graph model of the electrochemical dynamics in a Polymer Electrolyte Fuel Cell”, oral presentation at the 17th International Symposium on Mathematical Theory of Networks and Systems (MTNS) (Kyoto, Japan), July 24-28, 2006.

[COI-004] A.A. Franco, M. Tembely, P. Schott, Christian Jallut, Bernhard Maschke, “A Multi-Scale Dynamic Mechanistic Model for Transient Analysis of PEFCs”, oral presentation in the World Hydrogen Energy Conference 16 (Lyon, France), June 13-16, 2006.

[COI-003] A.A. Franco, P. Schott, C. Jallut, and B. Maschke, “A multi-scale Bond Graph model of physico-chemical phenomena in a fuel cell”; oral presentation at the 5th MATHMOD Conference (Vienna, Austria), February 7-10, 2006.

[COI-002] A.A. Franco, P. Schott, C. Jallut, B. M. Maschke, ”A multi-scale dynamic mechanistic model for transient analysis of PEFC”; oral presentation at the 3rd European Fuel Cells Forum (Luzern, Switzerland), July 4–8, 2005.

[COI-001] A.A. Franco, P. Schott, C. Jallut, B.M. Maschke, “A multi-scale dynamic mechanistic model for transient analysis of electrochemical cells”; oral presentation at the 207th Meeting of the Electrochemical Society (Québec, Canada), May 15-20, 2005.

[CON-000] A.A. Franco, P. Schott, C. Jallut, B. Maschke; “A multi-scale dynamical model of a PEFC electrode”; oral presentation at the JDMACS Conference (Lyon, France), September 5-9, 2005.

 

+ other presentations at CEA, CNRS, GDR workshops on fuel cells and nanoparticles, Société Française de Chimie, Société Française de Physique (2003-2009).

 

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

 

&

 

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

France

 

&

 

ALISTORE-ERI, European Research Institute

FR CNRS 3104

France

 

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