Theoretical study of the thermal decomposition of dimethyl disulfide.

  title={Theoretical study of the thermal decomposition of dimethyl disulfide.},
  author={A{\"a}ron G. Vandeputte and M. F. Reyniers and Guy B. Marin},
  journal={The journal of physical chemistry. A},
  volume={114 39},
Despite its use in a wide variety of industrially important thermochemical processes, little is known about the thermal decomposition mechanism of dimethyl disulfide (DMDS). To obtain more insight, the radical decomposition mechanism of DMDS is studied theoretically and a kinetic model is developed accounting for the formation of all the decomposition products observed in the experimental studies available in literature. Thermochemical data and rate coefficients are obtained using the high… CONTINUE READING


Publications referenced by this paper.
Showing 1-10 of 87 references

A theoretical study of the thermodynamics and kinetics of small organosulfur compounds

A. G. Vandeputte, M. F. Reyniers, G. B. Marin
Theor . Chem . Acc . • 2009

Experimental and computational study of diethyl sulfide pyrolysis and mechanism

X. Zheng, E. M. Fisher, F. C. Gouldin, L. Zhu, J. W. Bozzelli
Proc . Combust . Inst . • 2009

Theoretical study on the multi - channel reaction of CH 3 S with ClO

Y. Liu, W. L. Wang, W. N. Wang, K. Su, Y. Zhang
J . Mol . Struct . : THEOCHEM • 2008

Influence of dimethyl disulfide on coke formation during steam cracking of hydrocarbons

J. Wang, M. F. Reyniers, G. B. Marin
Ind . Eng . Chem . Res . • 2007

Quantum chemical and RRKM calculations of reactions in the H / S / O system

K. Sendt, B. S. Haynes
Proc . Combust . Inst . • 2007

Sulfur - sulfur bond dissociation enthalpies : A high - level ab initio study

L. F. Zou, Y. Fu, K. Shen, Q. X. Guo
J . Mol . Struct . : THEOCHEM • 2007

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