Ring opening of cycloalkanes at high temperatures
Cycloalkanes are an important fraction of molecules in real fuels and their pyrolysis products can be crucial during the combustion process. However, there have been few studies on the dissociation of these molecules apart from cyclohexane. We present here a laser schlieren densitometry study on cycloheptane pyrolysis as part of a study of the effect of ring size on dissociation of cycloalkanes. The experiments were performed in a diaphragmless shock tube with a 2% cycloheptane/98% krypton mixture and reaction conditions of 1400 – 2200 K and 30 – 110 Torr. Complementary investigations of the dissociation of the conjugate 1-alkene, 1-heptene (the initial pyrolysis product), have also been conducted to aid development of a chemical kinetic mechanism. A common aspect to dissociation of cycloalkanes is that at high temperatures they are efficiently converted to an allyl radical and an n-alkyl radical and the reactions of these radicals dominate the secondary chemistry. The newly developed model, which incorporates results from recent shock tube/laser schlieren studies of the n-butyl radical, is presented herein along with experimental results from cycloheptane and 1-heptene results. Good agreement between simulations and the experimental profiles were obtained allowing kinetic data to be extracted.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE Office of Science - Office of Basic Energy Sciences - Chemical Sciences, Geosciences, and Biosciences Division
- DOE Contract Number:
- AC02-06CH11357
- OSTI ID:
- 1528929
- Resource Relation:
- Conference: 11th US National Combustion Meeting, 03/24/19 - 03/27/19, Pasadena, CA, US
- Country of Publication:
- United States
- Language:
- English
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