Quantum chemical study on formation of PCDT/TA from 2-chlorothiophenol precursor.

@article{Dar2013QuantumCS,
  title={Quantum chemical study on formation of PCDT/TA from 2-chlorothiophenol precursor.},
  author={Tajwar Dar and Mohammednoor Altarawneh and Bogdan Z. Dlugogorski},
  journal={Environmental science & technology},
  year={2013},
  volume={47 19},
  pages={
          11040-7
        }
}
This contribution investigates the thermochemical and kinetic parameters pertinent to the homogeneous gas-phase formation of two groups of pollutants, polychlorinated dibenzothiophenes (PCDT) and polychlorinated thianthrenes (PCTA) from their 2-chlorothiophenol (2-CTP) precursor. We compare the enthalpic profiles of the formation mechanism of PCDT/TA with the corresponding reactions involved in the gas-phase synthesis of PCDD/F (polychlorinated dibenzo-p-dioxins and polychlorinated… CONTINUE READING

Figures, Tables, and Topics from this paper.

Citations

Publications citing this paper.
SHOWING 1-8 OF 8 CITATIONS

Mechanisms of pollutant formation in fires

  • 2014
VIEW 1 EXCERPT
CITES BACKGROUND

References

Publications referenced by this paper.
SHOWING 1-10 OF 38 REFERENCES

Quantum chemical investigation of formation of polychlorinatedpdioxins and dibenzofurans from oxidation and pyrolysis of 2chlorophenol

M. Altarawneh, B. Z. Dlugogorski, E. M. Kennedy, J. C. Mackie
  • J . Phys . Chem . A
  • 2012

The hindered rotor densityofstates interpolation function

R. B. McClurg, R. C. Flagan, W. A. Goddard
  • J . Chem . Phys .
  • 2012

destruction of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs)

Bozzelli, W J.
  • Prog. Energy Combust. Sci
  • 2009