Thermodynamic Study and Oxidation Productsfor the Reaction of Methyl Ethyl Sulfide CH3 SCH2 CH3 with O2 at Standard Conditions.

Abstract

Entropyand Gibb’s free energy change for all possible reaction pathways of oxidation of radicals of methyl ethyl sulfide radicals were calculated. Enthalpy change for the reaction pathways was also calculated and compared to the values calculated using CBS-QB3 DFT method. Energetically favorable products for the oxidation of radicals of methyl ethyl sulfide radicals at 298 K and 1 atm pressure, and under high temperatures were determined.