Journal of Siberian Federal University. Chemistry / Modeling of Dissolution of Weakly Soluble Salts in the Presence of Complexing Agents

Full text (.pdf)
Issue
Journal of Siberian Federal University. Chemistry. 2019 12 (1)
Authors
Korobeinikov, Artem I.; Kalyakin, Sergey N.
Contact information
Korobeinikov, Artem I.: Institute of Chemistry and Chemical Technology SB RAS FRC ‘‘Krasnoyarsk Science Center SB RAS” 50/24 Akademgorodok, Krasnoyarsk, 660036, Russia; ; Kalyakin, Sergey N.: Institute of Chemistry and Chemical Technology SB RAS FRC ‘‘Krasnoyarsk Science Center SB RAS” 50/24 Akademgorodok, Krasnoyarsk, 660036, Russia
Keywords
mathematical modelling; computer program; numerical methods; weakly soluble compound; precipitate; dissolution; complex compounds
Abstract

A mathematical algorithm for ionic equilibria modeling of dissolving weakly soluble salts in the presence of complexing agents or in an overage of an anion that form weakly soluble compounds in water solutions was developed. For numerical methods for calculation of chemical equilibria that involve ionic compounds a set of simplifications are formulated. This simplifications allows to significantly reduce the required computational operations while make it possible to preserve the functionality of numerical methods for solving such ionic equilibria. To verify the algorithm some systems that was studied experimentally were modelled. The maximum divergence between calculated and experimental data was 38%. Some general problems of switch-over from the experimental determination to the mathematical modeling of ionic equilibria and sedimentation in solution were emphasized

Pages
87-100
Paper at repository of SibFU
https://elib.sfu-kras.ru/handle/2311/109515