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Fundamental Research
News 08 November 2023

The thermodynamics of electrolytes gets a boost from Europe

Electrolytes play an integral role in many industrial processes. Their thermodynamic properties are studied by IFPEN’s experts within the framework of collaborative projects and a dedicated chair at IFP-School. To reinforce scientific exchange, Fufang Yang, a young researcher employed by the DTU (Danish Technical University), joined IFPEN’s teams to investigate several fundamental questions concerning the thermodynamics of electrolytes.

Innovation and Industry
News 24 October 2022

Applied thermodynamics in response to ecological transition challenges

In an effort to fully embrace all the challenges facing applied thermodynamics in the coming years, a group of experts from EFCE has published a summary document “A View on the Future of Applied Thermodynamics”.

Issue 53 of Science@ifpen
News in brief

Deep learning in the field of thermodynamics

Reactive fluid transport simulation has multiple applications - flows in porous media, combustion, process engineering - and requires thermodynamic equilibrium calculations (also knows as “flash” calculations). However, these calculations can take a long time and, as they are involved in large numbers in the simulations carried out, in practice they limit the latter to systems containing few chemical species or to restricted time and space scales...
Issue 51 of Science@ifpen
News in brief

SC6 - How to better control loss of lithium battery capacity

Everybody knows that lithium-ion batteries, used in cell phones, computers, etc., gradually lose capacity and eventually fail. This loss of capacity is primarily due to a layer known as the SEI, which forms between one of the battery’s electrodes and the electrolyte (see Figure). This layer already appears after the first battery charge/discharge cycle, and grows over time, consuming lithium ions. The process is irreversible and therefore detrimental to battery capacitye...
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
ANNOUNCEMENT : 1 post-doctoral position open within the framework of the PowerCO 2 Project - PEPR SPLEEN (Grant ANR-22-PESP-0010). Duration 12+6 months. Simulation of opto-electronic properties of
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.