Experimental and computational study of oxidation of diethyl sulfide in a flow reactor
Document Type
Article
Publication Date
1-10-2011
Abstract
The destruction of diethyl sulfide was studied experimentally and computationally at high temperatures under diluted oxidation conditions. The experiments were conducted in an atmospheric, turbulent flow reactor with a Reynolds number of around 5000, at four different operating temperatures between 630 and 740 °C. These oxidation experiments, with diethyl sulfide initially at approximately 100 ppm in the reactor, included near-stoichiometric conditions (Φ ∼ 1) and fuel-lean conditions with the equivalence ratio (Φ ∼ 0.1). On-line, radially extractive sampling in conjunction with fourier transform infrared spectroscopy and gas chromatography/mass spectrometry analysis was performed to quantify species at four locations along the centerline of the flow reactor. Species concentrations were presented as functions of residence time in the reactor and were compared to mechanism predictions. A previously published pyrolysis mechanism has been updated and extended to include kinetics of the partially oxidized intermediates. The new mechanism still reproduces the previously reported experimental pyrolysis results satisfactorily and provides reasonable agreement with experimental measurements for the present oxidation conditions. Important reactions were identified by sensitivity analysis and rate of production analysis by using the mechanism. © 2010 Published by Elsevier Inc. on behalf of The Combustion Institute. All rights reserved.
Identifier
78650876630 (Scopus)
Publication Title
Proceedings of the Combustion Institute
External Full Text Location
https://doi.org/10.1016/j.proci.2010.05.064
ISSN
15407489
First Page
467
Last Page
475
Issue
1
Volume
33
Grant
DURIP W911NF0610142
Recommended Citation
Zheng, Xin; Bozzelli, J. W.; Fisher, E. M.; Gouldin, F. C.; and Zhu, Li, "Experimental and computational study of oxidation of diethyl sulfide in a flow reactor" (2011). Faculty Publications. 11479.
https://digitalcommons.njit.edu/fac_pubs/11479
