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Chemical Sciences Division
Applied Chemicals and Materials Division
Tahan, A.; Shiroudi, A.
Oxidation reaction mechanism and kinetics between OH radicals and alkyl-substituted aliphatic thiols: OH-addition pathways
Prog. React. Kinet. Mech.
157 - 174
C2H5SH + ·OH → H2O + CH3CH2S
252 - 425
Pressure: 75.00 bar
4.24x10-18 [cm3/molecule s] e12513 [J/mole]/RT
Transition state theory
Rate constant is pressure dependent
Reaction potential energy surface was studied using quantum chemistry and reaction channels were analyzed. Rate constants were calculated using transition state theory and RRKM. The quoted Arrenius parameters are taken from a legend in Figure 3 of the article.
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Rate constant values calculated from the Arrhenius expression:
|T (K)||k(T) [cm3/molecule s]|