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Issue 45 of Science@ifpen
News in brief

Faster “flash” calculations thanks to deep learning

A large number of simulators, whether they relate to the design of reaction processes, the evolution of oil reservoirs or combustion systems, require access to thermodynamic properties. In order to provide these properties, IFPEN has been developing a library of calculation modules, called “Carnot”, named after the famous French thermodynamics expert. These calculations, in particular those concerning phase equilibrium (also known as flash calculations), generally require the use of substantial calculation resources due to the complexity of the systems considered, and represent in many cases the most time-consuming step in the simulation process.
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Pascal RAYBAUD

Scientific Assistant Director
Researcher in Molecular Modeling applied to Catalysis
Pascal Raybaud is Researcher in molecular modeling applied to catalysis and Scientific Assistant Director in the Catalysis, Biocatalysis and Separation Division at IFP Energies nouvelles (IFPEN). He
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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
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Maira ALVES FORTUNATO

Researcher in Complex Fluids / Ph.D. in Chemistry
_ Maira completed her Ph.D. thesis at the Institute for Research on Catalysis and the Environment of the University Claude Bernard Lyon 1 (CNRS) and Saint-Gobain Provence Research on the catalytic
Issue 44 of Science@ifpen
News in brief

Review of a Chair on “thermodynamics for biomass fuels” 

Unlike hydrocarbons of fossil origin, the molecules derived from biomass are polar, due to the heteroatoms they contain. This difference on a molecular scale induces a more complex macroscopic behavior that must be taken into account when designing the processes where such mixtures are encountered.
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

Two-phase flow simulations: all regimes are now accessible

Numerous technological applications requiring the use of numerical simulation involve complex two phase flows, as is the case with the engine injection context. Most calculation software...
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Chaouki HABCHI

Researcher
HDR-Associated with the SMEMaG Doctoral School of CentraleSupelec at the University of Paris-Saclay
PhD from the University of Paris-VI obtained in 1990 in the field of Computational Fluid Mechanics. HDR (habilitation à diriger des recherches) from the Institut National Polytechnique de Toulouse
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Nicolas FERRANDO

Research engineer / Project manager
Nicolas Ferrando graduated from Ecole Nationale Supérieure des Ingénieurs en Génie Chimique (Toulouse) with a Chemical Engineering degree, followed by a PhD in Chemistry from Université Paris XI. He