Description du sujet de thèse

A new paradigm for modeling pure substances and mixtures: generalized corresponding states.

In the context of this project, we would like to propose the development of an equation of state for pure substances based on an extended law of corresponding states. To produce a specific equation of state for each pure substance, our idea is to consider as the reference equation of state that of propane proposed by the NIST, which is currently one of the most accurate because it was established on a considerable amount of data relating to a wide variety of thermodynamic properties. To move from the equation of propane to that of another molecule, it will therefore be necessary to predict the transfer functions for any pure body. There are two options for making these explicit: to propose multiparametric mathematical expressions and to regress the coefficients or to deduce their expressions from a machine learning tool (neural network, for example).

The successful candidate will therefore need to have a solid grounding in process thermodynamics, a clear interest in AI techniques, a perfect command of numerical methods and a programming language such as FORTRAN.

Contexte de travail

The candidate will join the CiTherE (kinetics, thermodynamics and energy) department of the LRGP (Laboratory of Reactions and Process Engineering).
He or she will work specifically within the ThermE (thermodynamics and energy) team under the supervision of professors Romain Privat and Jean-Noël Jaubert.

Le poste se situe dans un secteur relevant de la protection du potentiel scientifique et technique (PPST), et nécessite donc, conformément à la réglementation, que votre arrivée soit autorisée par l'autorité compétente du MESR.

Contraintes et risques

Nothing to report.