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Accueil du site > Pôles > Nord & Ile de France > Offres de Stages > M2 Internship at University of Rouen

M2 Internship at University of Rouen

par Nord & Ile de France - 8 octobre 2019

Please find below the announcement for a 6 months M2 internship in computational chemistry funded by the "Agence Nationale de la Recherche" (ANR). The starting date is flexible.

************** This project is part of the collaboration between the polymer chemistry group at ENSAM Paris (Prof. E. Richaud), the University of Rouen (Dr. V. Tognetti) and two industrial partners. It deals with the modeling of the lifetime prediction of epoxy coatings, which are widely used in the fields of building and civil engineering. In such materials, aging, indeed, mainly occurs through oxidative reactions involving dissociations of R-H and ROO-H bonds.

In parallel with experiments performed at ENSAM, theoretical calculations on model systems are performed in order to understand the mechanisms at work in such processes as well as their kinetics. To this aim, multiscale simulations (of the QM/MM type) will be carried out, and reactivity descriptors will be evaluated in order to account for the observed reactions.

Such a theoretical study is expected to establish structure-properties relationships giving the consequences of ageing on physicochemical, physical and mechanical properties, and subsequent changes of these latter within exposure time, and finally to determine end-of-life criteria that could be used by the industrial partners. **************

Contact : Dr. Vincent Tognetti