Pyrolytic Hydrocarbon Growth from Cyclopentadiene
- 5 November 2010
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 114 (47) , 12411-12416
Abstract
Aromatic hydrocarbon growth from cyclopentadiene (CPD) was studied using a laminar flow reactor operating in the temperature range 550−950 °C without oxygen. Benzene, indene, and naphthalene were the major products, which is in agreement with the previous computational studies on the reaction pathways from CPD. A crossover of indene and naphthalene yields around 775 °C was also observed, which further supports the results of the computational studies. Although the specific intermediates in the proposed pathways from CPD were not detected, the high selectivity of products and the observation of other methylindene and dihydronaphthalene intermediates suggest that the recombination of two CPDs via radical−molecule and/or radical−radical pathways to form indene and naphthalene is the dominant formation pathway. In addition to the products from the CPD−CPD reactions, the products from the reactions of CPD with indene, naphthalene, and acenaphthylene were also observed, which demonstrate the importance of CPD in carbon growth.Keywords
This publication has 34 references indexed in Scilit:
- Cyclodehydrogenation Reactions to Cyclopentafused Polycyclic Aromatic HydrocarbonsThe Journal of Physical Chemistry A, 2005
- Ring Expansion in Methylcyclopentadiene Radicals. Quantum Chemical and Kinetics CalculationsThe Journal of Physical Chemistry A, 2002
- Fuel-rich flame chemistry in low-pressure cyclopentene flamesProceedings of the Combustion Institute, 2000
- Reaction mechanisms in aromatic hydrocarbon formation involving the C5H5 cyclopentadienyl moietySymposium (International) on Combustion, 1996
- Theory and modeling in combustion chemistrySymposium (International) on Combustion, 1996
- Rates, products, and mechanisms in the gas-phase hydrogenolysis of phenol between 922 and 1175 KThe Journal of Physical Chemistry, 1989
- Detailed kinetic modeling of soot formation in shock-tube pyrolysis of acetyleneSymposium (International) on Combustion, 1985
- Sooting behavior in temperature-controlled laminar diffusion flamesCombustion and Flame, 1984
- Formation mechanisms of aromatic compounds in aliphatic flamesCombustion and Flame, 1984
- Some new aspects of the mechanism of carbon formation in premixed flamesSymposium (International) on Combustion, 1967