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PhD Thesis (M/F) : Uncertainty quantification of kinetic mechanisms and assessment of radiative heat transfer in NH3 reactive mixtures

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- Français-- Anglais

Date Limite Candidature : lundi 17 novembre 2025 23:59:00 heure de Paris

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Informations générales

Intitulé de l'offre : PhD Thesis (M/F) : Uncertainty quantification of kinetic mechanisms and assessment of radiative heat transfer in NH3 reactive mixtures (H/F)
Référence : UPR288-RONVIC-006
Nombre de Postes : 1
Lieu de travail : GIF SUR YVETTE
Date de publication : lundi 27 octobre 2025
Type de contrat : CDD Doctorant
Durée du contrat : 36 mois
Date de début de la thèse : 1 janvier 2026
Quotité de travail : Complet
Rémunération : 3800 € gross monthly
Section(s) CN : 10 - Milieux fluides et réactifs : transports, transferts, procédés de transformation

Description du sujet de thèse

This PhD project will investigate modeling uncertainties in flame property simulations of ammonia–hydrogen mixtures. It will leverage multiphysics Direct Numerical Simulations (DNS) with detailed chemical kinetics and coupled thermal radiation to improve chemical mechanisms for NH₃–H₂. The influence of different radiation models on the prediction of laminar burning velocity will be systematically analyzed. Sensitivity analyses of chemical kinetics and the associated uncertainties will be revisited in light of these new findings. The impact of uncertainties—such as those related to kinetics and radiation—on simulations of spherical flames (typically used experimentally to infer laminar burning velocities by extrapolation) will be quantified by sampling multiple DNS. This work aims to enable the robust inference of kinetic parameters directly from simulations of such experiments, rather than relying on global figures of merit that depend on simplifying assumptions and introduce additional uncertainties.

The primary host institution is Université Paris-Saclay (UPS), via the EM2C Laboratory, a CNRS research unit located at CentraleSupélec. Politecnico di Milano (POLIMI) will act as co-host. The research will be supervised by Prof. Ronan Vicquelin (UPS), Dr. Salvatore Iavarone (UPS) and Dr. Alessandro Stagni (POLIMI).

Contexte de travail

The EM2C laboratory is a CNRS research unit located at CentraleSupélec, within the University of Paris-Saclay. It combines high-level academic research with applied studies in partnership with leading companies and research centers in the fields of transportation and energy. Its experimental and numerical modeling activities focus on various complex and multiphysical flows, including turbulence, two-phase flows, combustion, and thermoacoustics. Research topics cover a broad spectrum, ranging from fundamental and theoretical questions to semi-industrial applications.

DESIRE Project: Climate change and energy security are driving an urgent transition away from fossil fuels. However, many industrial and transportation applications still rely on combustion due to their high energy density and thermal process requirements. Electrofuels (e-fuels), produced from renewable electricity and sustainable raw materials, represent a promising solution, enabling deep decarbonization.

DESIRE is a Marie Sklodowska-Curie doctoral network that aims to train 15 doctoral researchers in the efficient and clean use of renewable synthetic fuels. Candidates will acquire advanced skills in combustion science, chemical kinetics, and numerical modeling. Each PhD will lead to a double degree awarded by two partner universities, preparing graduates to become leaders in the energy transition in Europe.

The position is in a sector covered by the protection of scientific and technical potential (PPST) and therefore, in accordance with regulations, requires your arrival to be authorized by the competent authority of the MESR.

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

The DESIRE project is a European project (Marie Sklodowska-Curie (MSCA) Doctoral Network) that requires the applicants mobility. Specifically, candidates must not have resided or carried out their main activity (work, studies, etc.) in the country of the host institution (in this case, France) for more than 12 months during the 36 months immediately preceding their recruitment date.