Total lance un avis de stage – Molecular modelling for polymerization, Belgique
Description du poste
Molecular modelling for polymerization
In the present era polymers are still large part of our lives. They are used for example in packaging, but also to create elements of more complex machines, like cars. However, different applications require different polymer properties, which in turn are conditioned by the type of catalyst used in the synthesis. Also, the catalysts have to be efficient to make the process economically advantageous. The experimental synthesis of organometallic complexes (i.e. the catalysts) is time consuming, therefore the development is slow, and here molecular modelling can be of great help.
During the internship, Density Functional Theory (DFT) modelling of different organometallic complexes, and possibly of the polymerization reactions with them, will be performed. Gaussian 16 software installed on Pangea (Total’s) supercomputer will be used for this purpose. The results will be analyzed in term of the molecules properties and (if performed) reaction energetics and thermochemistry. Furthermore, all simulated results will be compared to experimental results for validation purposes.
Internship duration: 4-6 months
Profil recherché
The ideal candidate:
- Is a MSc student of chemistry or similar specialization (e.g. chemical engineering, organic or physical chemistry), possibly with academic knowledge of catalysis and theoretical chemistry
- Has basic working knowledge on LINUX environment and scripting
- Is enthusiastic, methodical and open for new solutions
- possesses good English speaking and writing skills
Métier
Resp Générales Rch et Dév
Région, département, localité
Région wallonne
Type d’emploi
Stage conventionné
Niveau d’expérience requis
Moins de 3 ans
Branche
Refining & Chemicals
A propos de nous/Profil de l’entreprise
Donnez le meilleur de vous-même à l’énergie ! Rejoignez TOTAL : plus de 500 métiers différents dans 130 pays. Une entreprise responsable avec des standards de sécurité et d’éthique forts, des perspectives d’évolution de carrière variées, une culture de l’innovation et une mission partagée par les 100.000 collaborateurs du Groupe : rendre l’énergie meilleure jour après jour.
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