Welcome !

This website compiles a range of thermodynamic and kinetic web tools and models that have been developed by several researchers of the Reactions and Process Engineering Laboratory in Nancy.

The « Tools and database » tab provides access to online applications and searchable databases developed by our teams. This website hosts the CompSol solvation database, AI applications for calculating thermodynamic quantities (vapor-liquid equilibrium properties, density, perfect-gas heat capacity), and web tools for calculating thermokinetic data in the gas phase (THERGAS, Tabulated Transition States Method), solvation data in the liquid and supercritical phases and merging kinetic models (TIRAMISU) . Computer-assisted generation of detailed chemical kinetic models of oxidation in the gas (EXGAS) and liquid (EXLIQ) phases will also be available here in a near future.

– The pages dedicated to the thermodynamics team’s results allow you to download the codes developed by J.-N. Jaubert, R. Privat and coworkers and their references.

– The pages dedicated to kinetics provide a downloadable selection of kinetics models, developed by R. Fournet, P.A. Glaude, B. Sirjean and co-workers, for liquid-phase oxidation and combustion and their references.