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What is the mechanism of formation of hydroxyaluminosilicates?

What is the mechanism of formation of hydroxyaluminosilicates? Thumbnail


The formation of hydroxyaluminosilicates is integral to the biogeochemical cycles of aluminium and silicon. The unique inorganic chemistry which underlies their formation explains the non-essentiality in biota of both of these elements. However, the first steps in the formation of hydroxyaluminosilicates were hitherto only theoretical and plausibly only accessible in silico. Herein we have used computational chemistry to identify and define for the first time these unique and ultimately critically important reaction steps. We have used density-functional theory combined with solvent continuum models to confirm first, the nature of the reactants, an aluminium hydroxide dimer and silicic acid, second, the reaction products, two distinct hydroxyaluminosilicates A and B and finally, how these are the precursors to highly insoluble hydroxyaluminosilicates the role of which has been and continues to be to keep inimical aluminium out of biota.


(2016). What is the mechanism of formation of hydroxyaluminosilicates?. Scientific reports,

Acceptance Date Jul 8, 2016
Publication Date Aug 1, 2016
Journal Scientific Reports
Print ISSN 2045-2322
Publisher Nature Publishing Group
Keywords computational chemistry; element cycles
Publisher URL


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