Description du sujet de thèse

As part of the PHURIOUS project, the recruited PhD student will be responsible for synthesizing precursor structures identified by DFT calculations, using renewable resources. In particular, they will be tasked with proposing a range of C6–C8 bis(cyclocarbonates) with various chemical substituents. The synthesized monomers will be characterized using NMR and FT-IR spectroscopy, and their reactivity will be studied. Diamines will then be used to investigate the polymerization kinetics of these systems, which will be characterized by NMR, FT-IR, SEC, rheometry, and DSC.

Contexte de travail

In order to promote the country's economic development—particularly by accelerating research and the market introduction of high-performance, sustainable materials derived from non-critical and non-toxic raw materials—the French government has launched the exploratory PEPR DIADEM program (Integrated Devices for the Acceleration of the Deployment of Emerging Materials). Led by CNRS and CEA, in partnership with seven academic institutions, the PEPR DIADEM aims to drive a virtuous trajectory that contributes to the competitiveness of French industries and the economic development of France, while also addressing environmental and societal aspects.

Spearheaded by CEA-LITEN, the PHURIOUS project targets the development of new highly reactive, bio-based, and recyclable polyhydroxyurethanes (PHUs) to replace polyurethanes (PUs), which are predominantly used in the furniture, transportation, and construction sectors. The PHURIOUS project aims to leverage Artificial Intelligence to rapidly identify the most favorable conditions for developing new, highly reactive bio-based PHU materials. PHURIOUS will employ an innovative approach based on the integration of high-throughput experimental methods in polymer chemistry with predictive digital tools, to accelerate the development of highly reactive PHUs while minimizing the number of systems to be tested.

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