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- W3215691704 endingPage "118174" @default.
- W3215691704 startingPage "118174" @default.
- W3215691704 abstract "The current investigation is aimed to find the effective Task-Specific Ionic Liquid (TSIL) for the extraction of the calcium ion through the quick screening method based on the Conductor-like Screening Model for Real Solvents (COSMO-RS). From the several prescreened cations and anions with different functional groups, a set of appropriate combinations were preliminarily selected to be examined for their efficiency of the calcium ion extraction. With the aid of the COSMO-RS model, the values of the octanol–water partition coefficient (Kow), melting point, and viscosity of the selected TSILs, as well as the infinite dilution chemical potential of the CaCl2 and Ca(NO3)2 salts in the studied TSILs were computed. Analysis of the obtained results led to the conclusion that phosphate anions in combination with tetrabutylammonium [N4444]+ and tetrabutylphosphonium [P4444]+ cations would form more effective TSILs for the Ca2+ extraction. Among these, TSILs tetrabutylammonium bis(2-ethylhexyl) phosphate [N4444][DEHP] and tetrabutylphosphonium bis(2-ethylhexyl) phosphate [P4444][DEHP] were synthesized to verify the computational results, and the extraction of calcium ion was measured as a function of various diluent and concentration of TSILs. The synthesized TSILs represented high calcium extraction efficiency, which was in agreement with the computational result. The mechanism of calcium extraction was studied using the slope analysis method. The stripping of calcium ion from the organic phase and recyclability of TSILs were also investigated." @default.
- W3215691704 created "2021-12-06" @default.
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- W3215691704 date "2022-01-01" @default.
- W3215691704 modified "2023-10-06" @default.
- W3215691704 title "Theoretical and experimental study of calcium extraction using ionic liquids: COSMO-RS approach" @default.
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- W3215691704 doi "https://doi.org/10.1016/j.molliq.2021.118174" @default.
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