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Experimental characterization and modelization of ion exchange kinetics for a carboxylic resin in infinite solution volume conditions. Application to monovalent−trivalent cations exchange

Sébastien Picart 1 Isabelle Ramière 2 Hamid Mokhtari 1 Isabelle Jobelin 1 
2 LSC - Laboratoire de Simulation du Comportement des Combustibles
SESC - Service d'Etudes de Simulation du Comportement du combustibles : DEN/DEC/SESC
Abstract : This study is devoted to the characterization of ion exchange inside a microsphere of carboxylic resin. It aims at describing the kinetics of this exchange reaction which is known to be controlled by interdiffusion in the particle. The fractional attainment of equilibrium function of time depends on the concentration of the cations in the resin which can be modelized by the Nernst−Planck equation. A powerful approach for the numerical resolution of this equation is introduced in this paper. This modeling is based on the work of Helfferich but involves an implicit numerical scheme which reduces the computational cost. Knowing the diffusion coefficients of the cations in the resin and the radius of the spherical exchanger, the kinetics can be hence completely determined. When those diffusion parameters are missing, they can be deduced by fitting experimental data of fractional attainment of equilibrium. An efficient optimization tool coupled with the implicit resolution has been developed for this purpose. A monovalent/trivalent cation exchange had been experimentally characterized for a carboxylic resin. Diffusion coefficients and concentration profiles in the resin were then deduced through this new model.
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Submitted on : Saturday, February 19, 2022 - 11:13:00 AM
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Sébastien Picart, Isabelle Ramière, Hamid Mokhtari, Isabelle Jobelin. Experimental characterization and modelization of ion exchange kinetics for a carboxylic resin in infinite solution volume conditions. Application to monovalent−trivalent cations exchange. Journal of Physical Chemistry B, American Chemical Society, 2010, 114 (34), pp.11027-11038. ⟨10.1021/jp102120m⟩. ⟨cea-03581208⟩

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