title: Experimental and modeling study of methyl cyclohexane pyrolysis and oxidation.
abstract: Although the combustion chemistry of aliphatic hydrocarbons has been extensively documented, the oxidation of cyclic hydrocarbons has been studied to a much lesser extent. To provide a deeper understanding of the combustion chemistry of naphthenes, the oxidation of methylcyclohexane was studied in a series of high-temperature shock tube experiments. Ignition delay times for a series of mixtures, of varying methylcyclohexane/oxygen equivalence ratios (phi=0.5, 1.0, 2.0), were measured over reflected shock temperatures of 1200-2100 K and reflected shock pressures of 1.0, 2.0, and 4.0 atm. A detailed chemical kinetic mechanism has been assembled to simulate the shock tube results and flow reactor experiments, with good agreement observed.
authors.affiliation: Chemistry Department, National University of Ireland, Galway, Ireland.
authors.forename: J P
authors.initials: JP
authors.lastname: Orme
authors.forename: H J
authors.initials: HJ
authors.lastname: Curran
authors.forename: J M
authors.initials: JM
authors.lastname: Simmie
mesh_terms: D003510:Cyclohexanes / Q000138:chemical synthesis* / Q000737:chemistry; D005609:Free Radicals / Q000138:chemical synthesis / Q000737:chemistry; D006859:Hydrogen / Q000737:chemistry; D007700:Kinetics; D008956:Models, Chemical; D015394:Molecular Structure; D010084:Oxidation-Reduction; D010100:Oxygen / Q000737:chemistry; D013696:Temperature; D013997:Time Factors
chemical_list: D003510:Cyclohexanes; D005609:Free Radicals; D006859:Hydrogen; C521475:methylcyclohexane; D010100:Oxygen