Experimental investigation and modeling of the kinetics of CCl4 pyrolysis behind reflected shock waves using high-repetition-rate time-of-flight mass spectrometry

M Aghsaee; A Drakon; A Eremin; S H Dürrstein; H Böhm; H Somnitz; M Fikri; C Schulz

doi:10.1039/c2cp42574b

Experimental investigation and modeling of the kinetics of CCl4 pyrolysis behind reflected shock waves using high-repetition-rate time-of-flight mass spectrometry

Phys Chem Chem Phys. 2013 Feb 28;15(8):2821-8. doi: 10.1039/c2cp42574b.

Authors

M Aghsaee¹, A Drakon, A Eremin, S H Dürrstein, H Böhm, H Somnitz, M Fikri, C Schulz

Affiliation

¹ IVG, Institute for Combustion of Gasdynamics, University of Duisburg-Essen, Duisburg, Germany.

PMID: 23338791
DOI: 10.1039/c2cp42574b

Abstract

The pyrolysis kinetics of CCl(4) behind reflected shock waves was studied with high-repetition-rate time-of-flight mass spectrometry. For modeling, quantum mechanical calculations were performed to evaluate the dissociation energies of CCl bonds for the different CCl(x) (x = 1 to 4) radicals. Good agreement with the JANAF thermochemical table was found. With the reaction mechanism developed for CCl(4) decomposition satisfactory agreement with experimental results was obtained. The investigations show the importance of C(2)Cl(2) formation for understanding the processes of carbon cluster growth leading to carbonaceous particle formation.