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Fundamental Research
News 26 April 2021

Predicting performance from atomic through to reactor scales to improve industrial processes

Using chemistry and quantum calculation techniques, researchers at IFPEN have developed predictive kinetic models directly from atomic scale through to reactor scale without the need to parametrize reaction rate constants k. Applied in the field of processes and transport, these models have proved extremely promising for performance prediction.

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Pascal RAYBAUD

Scientific Assistant Director
Researcher in Molecular Modeling applied to Catalysis
ANNOUNCEMENT: 2 post-doctoral positions pen from October 2024 within the framework of 2 PEPR projects Post-doc 1: Computational screening of heterogeneous catalysts for the syngas to alcohols reaction
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Antoine FECANT

Research engineer / Project manager
Antoine Fécant holds an engineering degree from the Ecole Normale Supérieure de Chimie de Lille (2004) and a DEA (Master degree) from the University of Lille I the same year. He then obtained a PhD
Issue 43 of Science@IFPEN
News in brief

Reaction dynamics in zeolites under the quantum calculation spotlight

Zeolites are nanoporous solids widely used as acid catalysts for the conversion of hydrocarbon molecules. However, determining the rates of the elementary steps of reaction mechanisms...
Issue 43 of Science@IFPEN
News in brief

Metal nanoparticles living on the edge

Platinum nanoparticles supported on chlorinated γ-alumina are used in bifunctional heterogeneous catalysts, which are central to numerous industrial processes. An atomic-scale study...
Issue 43 of Science@IFPEN
News in brief

Pretreatment and deformulation of biomass-based products

The development of production processes for fuel and platform molecules from lignocellulosic biomass requires knowledge of the chemical composition, on a molecular scale, of the various liquid products generated...
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Charles-Philippe LIENEMANN

Charles-Philippe Lienemann - Scientific Advisor at the Physics and Analysis Division
Charles-Philippe Lienemann graduated at the University of Geneva (Switzerland) in 1993. He then joined University of Lausanne (Switzerland) within the group of D. Perret and Prof. J-C. Bünzli for his
Issue 42 of Science@IFPEN
News in brief

In situ characterization of the genesis of the active sites of hydrotreatment catalysts by X-ray Absorption Spectroscopy

Meeting environmental standards governing the sulfur content of oil-based fuels hinges around the optimization of hydrotreatment processes (HDT), involving, in particular, the development of more
Issue 42 of Science@IFPEN
News in brief

Multiplying analytical dimensions to identify bio-based molecules

IFPEN is actively involved in the development of innovative processes for the conversion of lignocellulosic biomass into bio-based fuels and molecules. However, in chemical terms, the products
Issue 41 of Science@IFPEN
News in brief

Study of packings for natural gas treatment and CO2 capture columns (HDR 2019)

Employed in certain treatment equipment, such as industrial gas purification columns, structured packings are ordered stacks of corrugated metal sheets that promote contact between the gas and a
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Jean-Charles DE HEMPTINNE

IFP-School Professor / PhD Chemical Engineering
Jean-Charles de Hemptinne graduated from the Katholieke Universiteit Leuven in 1985 with a Chemical Engineering degree followed by a PhD in Chemical Engineering from MIT. In 2000, he defended a thesis