PhD position In Chemical Engineering and Chemical Kinetics

PhD position at ENSTA Paris and IFPEN In Chemical Engineering and Chemical Kinetics

Experimental and Kinetic Modeling Study on the Combustion of NH3/N2/H2/air Mixtures :

In the transition towards low-carbon economies, ammonia constitutes a very promising solution for industrial applications. In particular, the partial cracking of ammonia provides energy-efficient NH3/N2/H2 mixtures that can be used in combustion systems. In this context, the AMHYABLE project aims to develop fuel-flex burners presenting a stable combustion of NH3/N2/H2/air blends over a wide operating range with low pollutant emissions (e.g., NOx, unburnt NH3, and other greenhouse gases), irrespective of the exact nature and proportions of the blends. It aims to address the fundamental challenges related to the combustion of NH3/N2/H2/air mixtures, including combustion chemistry, fundamental combustion properties, pollutant emissions and evolution, combustion in industrial burners, and numerical simulations.

As part of AMHYBLE project, this PhD thesis focus on combustion chemistry of NH3/N2/H2/air mixture, as large uncertainty still remains, for both experiments and modeling. Measurement of fundamental combustion properties, such as laminar flame speed, is still challenging (for example for lean to stoichiometric mixtures), partially due to experimental setup limitations. Large uncertainty is also present in chemical kinetic model, as rate constants of many elementary reactions of NH3-based combustion are still unknown or not-well evaluated, and reaction scheme under industrial burner conditions are less studied. In addition, atmospheric reactivity and reaction schemes of NH3 combustion pollutants are not well studied.

Therefore, this thesis aims to obtain a better understanding on the fundamental combustion properties and combustion chemistry of NH3/N2/H2/air mixtures under industrial conditions. More precisely, we aim to (i) acquire the missing experimental database of laminar flame speed of NH3/N2/H2/air mixtures under industrial conditions using a heat flux burner, and (ii) develop a detailed chemical kinetic mechanism that include both combustion and atmospheric chemistry, such that it can accurately predict not only laminar flame speeds and formation of pollutants during combustion but also aging of the pollutants in atmosphere.

Keywords: Ammonia, Hydrogen, Combustion, Laminar Flame Speed, NOx, Emissions, Pollutants, Heat Flux Burner, Chemical Kinetics, Kinetic modeling, Atmospheric Chemistry

Thesis Director Prof. CATOIRE Laurent, Unité Chimie et Procédés (UCP), ENSTA Paris,

Institut Polytechnique de Paris, laurent.catoire@ensta-paris.fr

Doctoral School ED626 – IP Paris / École Doctorale de l'Institut Polytechnique de Paris,

https://www.ip-paris.fr/en/education/phd-programs/ip-paris-doctoral-school

IFPEN supervisor Dr. XU Boyang, boyang.xu@ifpen.fr

Dr. MATRAT Mickael, mickael.matrat@ifpen.fr

PhD location ENSTA Paris, Palaiseau, France & IFPEN, Rueil-Malmaison, France

Duration and start date 3 years, starting in late 2025 or early 2026

Academic requirements Master degree in chemical engineering, physical chemistry

Language requirements Fluency in English, willingness to learn French

Other requirements Modeling. Programming. Knowledge in chemical kinetics is a plus.