Quantum-Chemical Model of the Structure of Iron Silicate Polysulfide

Abstract

The spatial structure of iron silicate polysulfide is simulated and its stability is evaluated Using the Priroda 6 quantum-chemical software and the Chemcraft visualization program. The high strength of bonds regardless of the lengths of sulfuric chains is confirmed theoretically, testifying to iron’s ability to retain long sulfuric chains with no weakening of bonds. It is found that iron chloride acts as bridges between silica gel clusters and sulfur with the formation of iron silicate polysulfide, which can be used to obtain building materials. It is shown that sulfur can form hydrophobic surface layers on such materials that protect them from being destroyed in aqueous media. It can also form dense nonporous materials.