The paper “Computational Investigation of the Isomers Formed from the Reaction S2 + O2” has been published in the “Journal of Sulfur Chemistry”. The scientists who are part of the SULPHURREAL project, investigated the oxidation of 3S2 + 3O2 → 1S2O2 leading to several products.
The resulting reactions contribute to the development/ extension of a detailed reaction mechanism for sulphur combustion for use in energy generation. Knowledge of validated reaction mechanisms is a prerequisite for estimating combustion properties necessary to design optimised combustion devices that provide high power densities. The scope of this study is therefore to develop and evaluate rate coefficients of reactions involving oxygenated sulphur species, which are free of hydrocarbons, for use in pure sulphur combustion.
The results show that 1SS(=O)=O, 3SO, 1SO2, and 3S are the low-energy products.
Part of the SULPHURREAL project
Sulphur combustion is one part of the SULPHURREAL cycle. The SULPHURREAL project aims to demonstrate an innovative approach to the direct storage of concentrated solar energy in solid elemental sulphur, which can be combusted on demand to release the stored solar energy.
The “Journal of Sulfur Chemistry” is an international publication focused on sulphur chemistry. It publishes high-quality reviews, research papers, and communications in areas like organic and inorganic chemistry, industrial chemistry, materials, biological chemistry, and interdisciplinary studies related to sulphur. The journal welcomes papers on theoretical, physical, mechanistic, or synthetic aspects of sulphur chemistry, aiming to serve both academic and industrial chemists. The journal is overseen by an international Editorial Board ensuring rigorous peer review.
Read the full paper here: Computational investigation of the isomers formed from the reaction S2 + O2
