Processes Webinar | Advances in Multiscale Kinetic Modeling
the chair
11th Processes Webinar
Advances in Multiscale Kinetic Modeling
Dear colleagues,
It is my pleasure to welcome you to this webinar organized by Processes, which brings together leading experts in reaction kinetics and computational modeling. In the face of growing energy and environmental challenges, improving our understanding of chemical transformations—from catalyst design to the combustion of bio-derived molecules—is more critical than ever.
Today’s webinar highlights cutting-edge developments in multiscale kinetic modeling. Prof. Joris Thybaut will discuss recent innovations in catalyst and reactor design based on transient kinetic methodologies. Prof. Frédérique Battin-Leclerc will present experimental and modeling work on the combustion behavior of lignin-derived aromatics, such as guaiacol and phenol. Finally, Dr. Carine Michel will demonstrate how ab initio modeling, particularly DFT-based approaches, can support kinetic modelers by elucidating reaction mechanisms at the solid/liquid interface.
Together, these contributions will offer a comprehensive perspective—from theory to application—on how advanced modeling tools are enabling more sustainable and efficient chemical processes. I wish you a stimulating and engaging session.
Date: 13 November 2025
Time: 10:00 am CET | 5:00 pm CST Asia
Webinar ID: 838 8430 8783
Webinar Secretariat: journal.webinar@mdpi.com
Meet the Event Chair
Meet Our Speakers
Prof. Joris Thybaut
Laboratory for Chemical Technology (LCT)
Department of Materials, Textiles and Chemical Engineering, Technologiepark 125, 9052 Ghent, Belgium;
Joris W. Thybaut (Ghent Belgium) is senior full professor in catalytic reaction engineering at the Laboratory for Chemical Technology at Ghent University since September 2022. He obtained his PhD on Single-Event MicroKinetic (SEMK) modeling of hydrocracking and hydrogenation at Ghent University in 2002 after which he went to the 'Institut des Recherches sur la Catalyse' in Lyon, France, for a postdoc on high throughput experimentation. Prof. Thybaut was first appointed at Ghent University in 2005 and, since then, actively investigates a variety of large-scale industrial hydrocarbon conversion reactions and more particularly, the rational design of the corresponding catalysts and reactors. Research projects range from bilateral contracts with industrial partners up to government funded large scale integrated projects, either as partner, PI or coordinator.
He was awarded an ERC Consolidator Grant (2014–2019) for the project i-CaD – Innovative Catalyst Design for Large-Scale, Sustainable Processes, with a budget of €2,000,000. The aim of this project was to develop a fundamentally new approach to the design of catalysts, enabling more efficient and environmentally sustainable chemical processes at industrial scale. By integrating advanced kinetic modeling, catalyst synthesis, and reactor design, i-CaD contributed to bridging the gap between molecular-level understanding and industrial application. Building on the outcomes of i-CaD, he later secured an ERC Proof of Concept (PoC) grant titled SERENiTi – Software Enhanced Research iN Transient Kinetics (2018–2020), worth €150,000. SERENiTi focused on the development and commercialization of a software tool to support advanced kinetic model development and interpretation, thereby enhancing the accessibility and industrial usability of transient kinetics methodologies.
Dr. Frédérique Battin-Leclerc
Laboratoire Réactions et Génie des Procédés - CNRS
Université de Lorraine, CNRS, LRGP, Nancy F-54000, France;
Frédérique Battin-Leclerc is a French chemist who studies combustion, particularly gas-phase combustion of hydrocarbons including biofuels, in order to develop cleaner-burning automotive fuels.[1] She is a director of research for the French National Centre for Scientific Research (CNRS), affiliated with the Laboratoire Réactions et Génie des Procédés in Nancy, France.
She earned an engineering degree from the École nationale supérieure des industries chimiques in Nancy in 1987, completed a Ph.D. at the National Polytechnic Institute of Lorraine in Nancy in 1991, and earned a habilitation at the National Polytechnic Institute of Lorraine in 1997. She has been a researcher for the CNRS since 1991.
Frédérique Battin-Leclerc was awarded an ERC Advanced Grant in 2008 for the project Clean-ICE – Detailed Chemical Kinetic Models for Cleaner Internal Combustion Engines. The project aimed to develop comprehensive chemical kinetic models that describe the formation of minor pollutants—such as aldehydes, aromatic hydrocarbons, and soot precursors—in internal combustion engines. By integrating detailed reaction mechanisms into combustion simulations, Clean-ICE sought to enhance predictive accuracy and support the development of cleaner and more efficient engine technologies
Battin-Leclerc won the CNRS Silver Medal in 2010, and was named as a knight in the Ordre national du Mérite in 2012. She was elected to the inaugural 2018 class of Fellows of The Combustion Institute, "for innovative research on the formulation of detailed chemical mechanisms for complex practical fuels". She was the 2022 recipient of the Polanyi Medal of the Royal Society of Chemistry.
Dr. Carine Michel
Laboratoire de Chmie de Lyon
CNRS, ENS de Lyon, LCH, UMR 5182, Lyon cedex 07, 69342, France;
C. Michel is an expert in modeling chemical reactions occurring at the solid/liquid interface, with a special focus in the catalytic valorisation of biomass into chemicals.
Using periodic DFT, she worked on a variety of reactions such as alcohol amination, alcohols hydrogenolysis, furanics and alcohol oxidation, the hydrogen transfer reaction to produce gamma-valerolactone from formic acid and levulinic acid. She recently extended her research activities to electro and photocatalysis but also catalyst deactivation.
In this section, you will find the recordings of this webinar to watch, re-watch and share with your colleagues!
Kinetic Modeling of Biomass Pyrolysis Processes (2nd Edition)
Edited by Dr. Carmen Branca and Prof. Dr. Antonio Galgano
Deadline for manuscript submissions: 25 November 2025
Phase Equilibrium in Chemical Processes: Experiments and Modeling
Edited by Dr. Ali Aminian
Deadline for manuscript submissions: 25 December 2025