Collaborative shock tube studies of benzene pyrolysis
Three independent shock tube techniques, time-of-flight mass spectrometry (TOF), atomic resonance absorption spectroscopy (ARAS), and laser-schlieren density gradient measurements (LS), were employed to investigate the thermal decomposition of benzene (C/sub 6/H/sub 6/ or C/sub 6/D/sub 6/) in dilute inert gas mixtures over a wide range of reactant concentration (3 to 21,000 ppM), total pressure (0.2 to 3 atm) and temperature (1515 to 2500/sup 0/K). The latter two methods were used to derive rate constants for the dissociation of C/sub 6/H/sub 6/ ..-->.. C/sub 6/H/sub 5/ + H and C/sub 6/H/sub 5/ ..-->.. C/sub 2/H/sub 2/ + C/sub 4/H/sub 3/ and the overall rate of benzene decomposition that occurred primarily via a direct ring rupture process C/sub 6/H/sub 6/ ..-->.. C/sub 2/H/sub 2/ + C/sub 4/H/sub 4/. The ring rupture step was shown to be in the fall-off region. Rate constants subject to fall-off-effects were adjusted for particular reaction conditions and used in a mechanism which included steps for acetylene pyrolysis to model the major species, C/sub 6/H/sub 6/, C/sub 2/H/sub 2/, C/sub 4/H/sub 2/, recorded by the TOF experiments, D atom production by ARAS, and density gradient profiles by LS.
- Research Organization:
- New Orleans Univ., LA (USA). Dept. of Chemistry; Wright State Univ., Dayton, OH (USA). Dept. of Chemistry; Illinois Univ., Chicago (USA). Dept. of Chemical Engineering
- DOE Contract Number:
- AS05-79ER10505
- OSTI ID:
- 6117646
- Report Number(s):
- CONF-840801-15; ON: DE85006347
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400800* -- Combustion
Pyrolysis
& High-Temperature Chemistry
ABSORPTION SPECTROSCOPY
ACETYLENE
ALKYNES
AROMATICS
BENZENE
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
DECOMPOSITION
DISSOCIATION
HYDROCARBONS
KINETICS
MASS SPECTROSCOPY
ORGANIC COMPOUNDS
PHOTOGRAPHY
PYROLYSIS
REACTION KINETICS
SCHLIEREN METHOD
SHOCK TUBES
SPECTROSCOPY
THERMOCHEMICAL PROCESSES