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Home   /   Post Doctorat   /   Multiscale approach of f elements aqueous solutions modeling

Multiscale approach of f elements aqueous solutions modeling

Chemistry Condensed matter physics, chemistry & nanosciences Physical chemistry and electrochemistry


A post-doctoral position is available for one year at CEA-Marcoule
The study will be the modeling of concentrated aqueous phases of heavy metal salts using both microscopic and mesoscopic modeling.

Separation processes for heavy metals recycling usually use liquid-liquid extraction with the transfer of ionic species from a concentrated aqueous phase to an organized organic phase.
This post-doctoral research subject relates to the chemical properties of these processes, and especially to the characterization of the aqueous phase using as accurate as possible models. The goal is to understand the various effects (solvation, electrostatic and van der waals forces, entropy…) influencing the structural and energetic properties of these solutions. A multi-scale approach will be used to study some systems of interest for both fundamental and industrial point of view, the aim being the characterization of these solutions from their molecular structure to their thermodynamic properties. The tools and the approach used here have to be be valid for separative chemistry overall.


Département RadioChimie et Procédés
Service de Chimie des Procédés de Séparation
Laboratoire de Conception des Architectures Moléculaires
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