Simulation of black carbon and hydrogen production from CH4 pyrolysis

Hydrogen production recently became of major interest thanks to the global decarbonation effort lead by transport and energy industries. Methane pyrolysis is a new process competing with the more conventional electrolysis technology. Its main advantages are its lower energy cost and the potential use of its black carbon byproduct. Plenesys is a start-up designing novel plasma torches and pyrolizers for this purpose. CFD simulations offer a promising opportunity to improve their technology. In this context, IFP Energies nouvelles (IFPEN), a semi-public research institution, supports Plenesys with its years-long experience of reactive flow simulations. The proposed position is part of this collaboration and will thus aim at validating and then reducing a chemistry and solid carbon model describing methane pyrolysis to make it usable in industrial CFD simulation later.
Integrating detailed chemistry and advanced particle modeling into a CFD solver remains a major challenge. Current codes cannot handle the large number of species needed to accurately describe most chemical processes. An extensive literature exists on reducing kinetic schemes and speeding up their resolution. IFPEN already has experience in both areas, thanks to previous work for the automotive and aeronautics industries. The first part of this work will thus focus on adapting IFPEN models to methane pyrolysis. The resulting model will then be used to simulate a case provided by Plenesys. In addition to detailed gas kinetics and the advanced carbon particle model, this simulation will also require radiation modeling adapted to this specific configuration. The second part of the project will therefore focus on the design of an appropriate radiation model.
The aim of the project is to provide a modeling tool that can be used by Plenesys in its design process. The developments necessary for this should give rise to several research articles and oral communications.

Keywords: Pyrolysis, Combustion, Black Carbon, Hydrogen, CFD simulation

• Academic supervisor    Dr. Olivier COLIN, IFPEN, https://orcid.org/0000-0002-8947-3490
• Doctoral School    ED579 SMEMAG, Université Paris-Saclay
• IFPEN supervisors    Dr. Damien AUBAGNAC-KARKAR, https://orcid.org/0000-0003-3995-4920 & Dr. Karine TRUFFIN, https://orcid.org/0000-0003-0888-9003
• PhD location    IFPEN, Rueil-Malmaison, France
• Duration and start date    3 years, starting in spring 2024
• Employer    Plenesys, Valbonne, France
• Academic requirements    University Master degree in energetics, fluids mechanics    
• Language requirements    English level B2 (CEFR) 
• Other requirements    Programming (Python and/or C++)

To apply, please send your cover letter and CV to the IFPEN supervisors indicated below.