An equation of state for hydrometallurgy

IFPEN aims to position itself as a provider of innovative, cleaner, and more efficient processes. The proposed PhD thesis falls within the framework of the implementation and optimization of liquid-liquid extraction for metal recovery in the context of battery recycling. To date, no thermodynamic model associated with a process simulator allows testing innovative configurations (new solvents, new extractants, etc.). The physico-chemistry of these systems is complex and has been studied extensively by the solvent extraction community. Yet, the thermodynamic modelling has remained very limited. Existing models are often developed for geochemical applications, where the solvent is primarily aqueous, while true chemical engineering models are very empirical. IFPEN has a long-time experience with a model (GC-PPC-SAFT) derived from statistical thermodynamics, which has been shown effective in describing phase equilibria, including liquid-liquid, of mixtures containing both polar and non-polar species, whether short- or long-chain. Additionally, it can be coupled with a group contribution approach, giving it predictive capabilities (without regression on experimental data). This model has recently been adapted to better account for chemical equilibria and complex formation in mixed solvents containing electrolytes. The model now needs to be extended to acid-base mixtures in the presence of organic solvents in order to be applicable to liquid-liquid extraction applications. This is the objective of this PhD thesis : ultimately, this work should enable the predictive description of the partitioning of species (metallic or otherwise) at equilibrium between two liquid phases (aqueous and organic).

Keywords: thermodynamics, liquid-liquid extraction, phase equilibrium, chemical equilibrium

• Academic supervisor    Prof Jean-Charles de Hemptinne, IFPEN, jean-charles.de-hemptinne@ifpen.fr, ORCID : 0000-0003-1607-3960 
• Doctoral School    ED388, Sorbonne Université
• IFPEN supervisor    Dr Tri Dat NGO, ORCID : 0000-0002-2614-7989 
• PhD location    IFPEN, Rueil-Malmaison, France
• Duration and start date    3 years, starting in the fourth quarter 2025 (Novembre 3)
• Employer    IFPEN
• Funding    Currently under instruction (European project HORIZON-MSCA-2024-DN-01 if accepted)
• Academic requirements    University Master degree in Chemical engineering     
• Language requirements    English level B2 (CEFR)
• Other requirements    Thermodynamics, Programming

To apply, please send your cover letter and CV to the IFPEN supervisor indicated here below.