Evaluation of hydrodynamic and mixing descriptors for precipitation in continuous stirred tank reactor using CFD (computational fluid dynamics) simulations

IFP Energies nouvelles (IFPEN) est un acteur majeur de la recherche et de la formation dans les domaines de l’énergie, du transport et de l’environnement. De la recherche à l’industrie, l’innovation technologique est au cœur de son action, articulée autour de quatre priorités stratégiques : Mobilité Durable, Energies Nouvelles, Climat / Environnement / Economie circulaire et Hydrocarbures Responsables.

Dans le cadre de la mission d’intérêt général confiée par les pouvoirs publics, IFPEN concentre ses efforts sur :

• l’apport de solutions aux défis sociétaux de l’énergie et du climat, en favorisant la transition vers une mobilité durable et l’émergence d’un mix énergétique plus diversifié ;
• la création de richesse et d’emplois, en soutenant l’activité économique française et européenne et la compétitivité des filières industrielles associées.

Partie intégrante d’IFPEN, l’école d’ingénieurs IFP School prépare les générations futures à relever ces défis.

Evaluation of hydrodynamic and mixing descriptors for precipitation in continuous stirred tank reactor using CFD (computational fluid dynamics) simulations

Moving toward less carbonated transportation is a challenge for the society. It relies on the electrification of the vehicle fleet, for which batteries performance needs to be better mastered and optimized. In order to meet this ambition, representative modelling tools able to help develop and design effective processes need to be developed.   

Description

The internship subject concerns the step of cathode active material precursors (pCAM) synthesis which is commonly achieved through coprecipitation within mixed reactors. Since the thermodynamics and kinetics of the reactions are very fast, the hydrodynamic parameters (ex. mixing) play an important role in determining the quality of the obtained powder.

A fully coupled model (thermodynamics, reactions, hydrodynamics, and population balance) is needed for the design and optimization of the pCAM synthesis. A practical approach consists in developing a 1D model (evolution in time) integrating the different physics mentioned before. Each sub-model, including the hydrodynamic part, will need several input parameters.

In this internship, the effect of change in reactor configuration (impeller type and speed, injection position, …) on hydrodynamic and mixing properties will be studied using CFD simulations coupled with a micro-mixing model.  Evaluation of global descriptors of hydrodynamics and mixing as well as their distributions in space will provide input parameters for the 1D model in order to describe properly the mixing physics in the coupled model.  

The work will be divided into several work tasks:

• Provide a literature review on micro-mixing implementation methods on CFD models and the descriptors of both hydrodynamics and mixing that could be evaluated from CFD and useful in chemical engineering models (1D model)
• Carry on CFD simulations for different reactor configurations (impeller type, injection positions, agitation speed)
• Integrate a micro-mixing model in the CFD model
• Evaluate both hydrodynamic et mixing descriptors from CFD simulations in order to feed a reactive 1D model

Required profile

Fluid mechanics, CFD (Computational Fluid Dynamics), chemical engineering, modelling skills, Python would be a plus

Additional information

Duration of the internship : 6 months
Workplace : IFPEN Lyon, Rond-point de l'échangeur de Solaize, 69360 Solaize
Transport : public transportation / personal vehicle
Paid internship (gross income 1130€/month)