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Innovation and Industry
News 04 February 2022

IFPEN and geothermal energy: multidisciplinary research for complex technical challenges

The WGC 2020+1 World Geothermal Congress, held last October, brought together more than 3,000 experts from around the globe. Objective: to discuss the latest technologies in this sector. The event was an opportunity to highlight recent advances developed at IFPEN aimed at addressing the principal difficulties encountered by geothermal energy operators.

Fundamental Research
News 15 December 2021

EleTher JIP: an industrial community to better understand thermodynamic electrolyte models

Electrolyte Thermodynamics (EleTher) is known to be one of the key challenges for developing many industrial processes. To take up this challenge, the EleTher Joint Industry Project (JIP) aimed at creating a community of practice on electrolytes modeling. After three years of collaboration and research, significant progress has been made on the understanding of fluids with electrolytic species.

Issue 50 of Science@ifpen
News in brief

The in silico creation of molecular structures

What chemical engineer has never dreamed of having access to a tool that can directly identify a fluid (pure substance or mixture) on the basis of characteristics necessary to a given application context? This Holy Grail could become a reality thanks to the field of Chemoinformatics and its methods...
Issue 50 of Science@ifpen
News in brief

The quest to find a new reaction path for the oligomerization of ethylene using nickel

The olefin oligomerization reaction provides access to a broad range of key compounds in the fuel, petrochemical and fine chemistry sectors...
Science@ifpen - Issue 49
News in brief

Electrolyte thermodynamics at IFPEN

The field of electrolyte thermodynamics is a strategic one for IFPEN since it contributes to a number of its existing technological innovations, as well as those currently being developed...
Science@ifpen - Issue 49
News in brief

Materials for energy, a scale transition for an energy transition

Supported by its recognized experience in the development of energy production solutions, IFPEN has acquired in-depth expertise in the field of materials for functional use. Today, this expertise is being harnessed to address the emerging challenges of the energy transition...
Cheminformatics and its descriptors: application to polymer/fluid compatibility
News in brief

Cheminformatics and its descriptors: application to polymer/fluid compatibility

Ensuring compatibility between polymers and fluids is essential in numerous industrial sectors: in the automotive sector, for example, the resistance of materials used in the fuel supply system is a vital consideration.
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.
Individual page

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
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...