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- Title
Adsorption of SO<sub>4</sub><sup>2-</sup> on Li<sub>2</sub>CO<sub>3</sub> crystal surfaces: experiments and first-principles calculation.
- Authors
Xin Liu; Yanfang Ma; Yongming Zhang; Xiuping Ding; Zhihong Zhang
- Abstract
Salt lake brine is an important raw material for Li2CO3 preparation, however, the composition of salt lake brine is relatively complicated, and the coexistence of impurity ions affects the quality of Li2CO3 crystals. Especially, SO4 2- in brine can compete with CO3 2- to form ion pairs, which limits the nucleation of carbonate. Therefore, it is necessary to study the adsorption behavior of SO4 2- in brine on the surface of Li2CO3 crystals. In this paper, the effect of SO4 2- on Li2CO3 crystals under different SO4 2-/Li+ ratios is studied by combining experiments and first-principles calculation. The results show that in the Li2CO3 crystallization system, SO4 2- interacts strongly with the crystal surface, which is regarded as chemical adsorption. And because of the SO4 2- is a soluble anion, its elution rate is about 50%. The adsorption of SO4 2- on the surface of Li2CO3 affects the morphology, particle size, and purity of the crystals. The governing equation is constructed by the change of the crystal specific surface area with the SO4 2-/Li+ ratio, which can effectively predict the crystal size and specific surface area with SO4 2- content. The first-principles calculation reveals the microscopic behavior of SO4 2- adsorption on the crystal surface from the molecular level that there is charge transfer between the O atoms of SO4 2- and the Li atoms on the crystal surface, and there is a strong interaction between them.
- Publication
Desalination & Water Treatment, 2023, Vol 299, p128
- ISSN
1944-3994
- Publication type
Article
- DOI
10.5004/dwt.2023.29698