Abstract
Modern industrial cleaning method of hydrocarbons from the mercaptan is their oxidation in an alkaline medium with molecular oxygen to dialkyl disulfides (forming a disulfide oil). In Tengiz GPP disulfide oil is introduced into the commodity oil, and it is with the oil arrives at the refinery, which has negative consequences - results in an increase of total sulfur content in the commodity oil, promotes corrosion of equipment both at transportation and at the subsequent processing of the oil in relation to possible conversions of disulphides in mercaptans under thermal exposure or other factors at oil refining. This paper describes physicochemical characteristics of the crude Disulfide Oil (DSO) substitutes obtained from the Tengiz Gas Processing Plant (Tengiz GPP). DSO is characterized as a mixture of following compounds (substitutes): dimethyldisulfides, methylethyldisulfides and diethyldisulfides. The chemical properties of disulfides determined by low strength disulfide bond. Many reducing agents, such as NaHSO 3 , metal hydrides, atomic hydrogen easily recovered disulfides to thiols. Many reactions disulfide petroleum origin occur during activation and cleavage of -S-S- bonds, therefore the study the geometric and electronic structure of disulfide and the nature of -S-S- bond is important in predicting the reactivity of these compounds. Throughout the course of the study, we were able to investigate properties of DSO substitutes, where physicochemical characteristics of these compounds were determined and addressed in the paper. Additionally, quantum chemical calculations were carried out based on the Density Functional Theory (B3LYP variation) using the 6-31G* and aug-cc-pVDZ basis sets. Therefore, we were able to successfully determine configuration of the DSO substitutes in their main electron state, identify the geometry of the substitutes, as well as, calculate their electron and energy configurations.