Optimization and integration of metamodels for industrial process simulations

IFP Energies nouvelles - Lyon

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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.

Optimization and integration of metamodels for industrial process simulations

The increasing demand for plastic materials poses two major challenges: the environmental impacts associated with plastic production and waste, and the massive use of fossil resources to produce virgin polymers. Improving the end-of-life management of plastic objects is therefore a major challenge, which relies on the three levers of the circular economy: "Reduce, Reuse and Recycle". IFPEN is committed to the development of advanced recycling processes (physical and chemical) to eliminate additives and impurities to return to a quality equivalent to virgin material.

Within this framework, the REWIND PET process aims at chemically recycling PET via depolymerization reactions. To support development and optimization, the process is simulated in commercial process simulators such as Pro II, in which reaction models have been integrated through Excel Units.

However, the integration of several «Excel Units» in complex simulations with multiple recycles significantly increases convergence time and can become a barrier to the operational use of these tools in industrial-scale studies. Therefore, it becomes essential to explore more efficient integration strategies.

New modes of integration are therefore needed to couple external reaction/metamodel calculation tools (e.g. Python-based metamodels, Cape-Open compatible components) with commercial simulators such as Pro II, as well as with next-generation tools like AVEVA Process Simulation (APS) or Aspen Plus. The objective is to preserve the predictive capability of detailed reaction models while reducing convergence times and enabling their use in complex process simulations.

Description

The aim of this internship is to develop and evaluate more efficient integration strategies for multiple metamodels in commercial process simulators, starting from the REWIND PET case. It will include:

• Analysis of the current Pro II simulation (Excel Units, recycles, convergence issues).
• Identification and quantification of bottlenecks (computation time, convergence, usability).
• Development and testing of alternative integration modes (Python calculators, Cape-Open components, APS / Aspen Plus).
• Implementation of one or more prototype solutions for the REWIND PET case.
• Comparison of the different approaches (convergence time, robustness, ease of use, maintainability, predictive quality).
• Recommendations for future metamodel integration in process simulators at IFPEN, especially for advanced plastic recycling processes.

Required profile

Chemical Engineer or Process Engineer; strong interest in Process Design and Process Simulation.

• Knowledge of at least one commercial process simulator (e.g. Pro II, Aspen Plus, AVEVA Process Simulation) and basic programming skills (e.g. Python) would be appreciated.

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 1150€/month (gross)

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