In this postdoctoral project, we will focus on predicting molecular solvent-polymer interaction energies using a mesoscopic approach to better understand the solvation phenomena of PVC polymer matrix’s models, that realistically reflects the structure of polymers with entanglements and long chains, with the inclusion of most common additives. The initial phase of the postdoctoral activity will involve a focused literature review on molecular simulations applied to the dissolution mechanisms of PVC, aiming to identify the most effective coarse-grained simulation methods for estimating characteristics and properties such as the radius of gyration, end-to-end distance, and solvation free energy. The study will also explore the potential of using mixed solvents and to predict additive selectivity. The findings are intended to be valorised through scientific publications.
Postdoctoral position : Molecular modeling of solvent/polymer interactions in the context of PVC recycling – IFPEN, Rueil-Malmaison (13/04/2025)
par Frédéric PELASCINI | 13 Avr 2025 | Propositions de Post-Doctorat