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Effect of variable solubility on reactive dissolution in partially miscible systems

par Kabbadj, Sylvain ;Rongy, Laurence ;De Wit, Anne
Référence Physical Review E, 107, 6, 065109
Publication Publié, 2023-06

Article révisé par les pairs

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Résumé :

When two partially miscible systems are put in contact, one phase, A, can dissolve into the other one with a given solubility. Chemical reactions in the host phase can impact this dissolution by consuming A and by generating products that impact the solubility of A. Here, we study theoretically the optimal conditions for transfer of a reactant A in a host phase containing a species B when a bimolecular A + B → C reaction generates a product C that linearly decreases the solubility of A. We have quantified numerically the influence of this variable solubility on the reaction-diffusion (RD) concentration profiles of all species in the host phase, on the temporal evolution of the position of the reaction front, and on the flux of A through the interface. We have also computed the analytical asymptotic concentration profiles, solutions at long times of the RD governing equations. For a fixed negative effect of C on the solubility of A, an increase in the initial concentration of reactant B or an increase in the diffusion rate of species B and C results in a larger flux of A and hence a larger amount of A dissolved in the host solution at a given time. However, when the influence of C on the solubility increases, the mass transfer decreases. Our results help understand to what extent a chemical reaction can optimize the reactive transfer of a solute to a host phase with application to, among other things, the geological sequestration of carbon dioxide in an aquifer.