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Portail > Offres > Offre UMR8234-MARJAR-001 - Simulations mésoscopiques pour la chimie de l'extraction (H/F)

Mesoscopic Simulations for Extraction Chemistry (H/F)

This offer is available in the following languages:
Français - Anglais

Date Limite Candidature : vendredi 6 novembre 2020

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General information

Reference : UMR8234-MARJAR-001
Workplace : PARIS,PARIS 05
Date of publication : Friday, October 16, 2020
Type of Contract : FTC Scientist
Contract Period : 18 months
Expected date of employment : 4 January 2021
Proportion of work : Full time
Remuneration : between 2720 and 3880 Euros brut according to the candidate's experience
Desired level of education : PhD
Experience required : 1 to 4 years

Missions

The postdoctoral mission is carried out within the project "Multisepar" funded by the ANR (French national reserach agency). The goal of the Multisepar project is to understand the mechanisms of ion extraction, by means of numerical simulations at different scales. Improving recycling methods is a key economical and ecological challenge: Some elements that are essential to many technologies are very scarse (rare earths, strategic metals, actinides), and wastes are accumulating (including radioactive wastes). Liquid-liquid extraction is a central chemical engineering technique used in recycling processes. It allows metal ions to be selectively transported from their original aqueous phase to an organic phase, where they get concentrated. Despite its importance, it is still poorly understood. While the study of ions in the aqueous phase is covered by a large scientific literature, ions in organic phases are largely unexplored systems. Fundamental research questions remain open, in relation with the structure, thermodynamics and transport of the fluid.

The post-doctoral fellow will focus on the mesoscopic description of the systems, implementing original simulation methodologies based on Brownian models of the organic phase. Coarse-grained simulations will be performed, such as Brownian Dynamics and Multiparticle Collision Dynamics. So far, there has been no attempt to use these methodologies in order to study extraction, while they are necessary to evaluate large distance and large time effects that cannot properly be taken into account by molecular dynamics.

Activities

- responsible of coarse-grained numerical simulations and methodologies within the project

Skills

– PhD in physics, physical chemistry or theoretical chemistry.
- Strong interest for computational approaches and numerical simulations.
- Fluent in English and/or French.

Work Context

Sorbonne Université is part of a vibrant academic community in Paris center, with numerous higher education and research institutions in its neighborhood. PHENIX is a laboratory of Sorbonne Université. Its research is focused on physical chemistry and includes electrochemistry, colloids and analytical chemistry. The group has developed multiscale theoretical modelling for the dynamics of complex systems, starting from the ab initio descriptions to analytical methods. Our team in the PHENIX laboratory has a longstanding expertise of Brownian descriptions for electrolyte solutions.

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