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Postdoctoral position in out-of-equilibrium dynamical reactive systems for control over polymerization and heat fluxes

ABG-100995 Emploi Niveau d'expérience indifférent
05/11/2021 CDI > 35 et < 45 K€ brut annuel
Avignon Université
Avignon - Provence-Alpes-Côte d'Azur - France
Chimie
  • Numérique
  • Physique
nonequilibrium, PDE, heat flux, polycondensation, CO₂ capture
31/12/2021
Recherche et Développement

Employeur

This 18 months postdoctoral position is available at the University of Avignon. The project, funded by the French National Research Agency (ANR), relies on a collaboration between R. Plasson from UMR 408 Avignon Université-INRA (Avignon) with expertise in theoretical and numerical tools for dynamical chemical systems,1,2 G. Baffou from the Fresnel Institute (Marseille) with expertise in light-actuated phenomena in physics, chemistry and biology at the nano/micro scale,3 and L. Jullien, T. Le Saux from the group «Physical and Biological Chemistry of Living Matter» of the PASTEUR Laboratory at Ecole Normale Supérieure (Paris) with expertise in chemical thermo-kinetics, photophysics/photochemistry, and systems chemistry in microdevices.

1 R. Plasson, H. Bersini, A. Commeyras, Recycling Frank: Spontaneous emergence of homochirality in noncatalytic systems, Proc. Natl. Acad. Sci., 2004, 101, 16733.

2 M. Emond, T. Le Saux, J.-F. Allemand, P. Pelupessy, R. Plasson, L. Jullien, Energy propagation throughout a protometabolism leading to the local emergence of singular stationary concentration profiles, Chem. Eur. J., 2012, 18, 14375

3 T. Barilero, T. Le Saux, C. Gosse, L. Jullien, Fluorescent Thermometers for Dual-Emission Wavelength Measurements: Molecular Engineering and Application to Thermal Imaging in a Microsystem, Anal. Chem., 2009, 81, 7988.

Poste et missions

The overall goal of this theoretical project is to evaluate the relevance of gradients of control parameters of chemical reactivity (temperature, light) to sustain dynamic chemical systems, namely for driving (i) the distribution of sequence and length of polymers arising from polycondensation of monomers engaged in ligation/hydrolysis reactions; and (ii) the magnitude and direction of heat fluxes in novel reactive materials. In particular, we will address the energy-intensive capture of carbon dioxide (CO2) and optimize its energetic efficiency by transferring solar energy in the energy balance of CO2 capture. The projet will consist in carrying out numerical simulations using XMDS to solve a rich set of coupled partial differential equations involving molecular diffusion, thermal diffusion and photochemistry in a liquid environment.

Mobilité géographique :

Internationale

Prise de fonction :

01/12/2021

Profil

Candidates should hold a PhD in (bio)physical chemistry with emphasis on dynamical systems (upon including thermal aspects) with expertise on analytic calculations and numerical computations.

 

Objectifs

At the end of this 18 months postdoctoral position, and on the basis of already existing simple models, the applicant shouls have developed and published detailed theoretical models explaining:

1) how gradients can influence the equilibrium distributions of dynamic polycondensation systems

2) how gradients can be used to control CO₂ capture

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