Thermodynamics/Molecular modeling

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.

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...

Platinum nanoparticles supported on chlorinated γ-alumina are used in bifunctional heterogeneous catalysts, which are central to numerous industrial processes. An atomic-scale study...

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...