Flash thermolysis. IV. Thermal fragmentation of cyclohexanone

  title={Flash thermolysis. IV. Thermal fragmentation of cyclohexanone},
  author={P. D. Mayo and D. Verdun},
  journal={Journal of the American Chemical Society},
The Thermal Decomposition of Biofuels in a Heated Micro-Reactor: Ketones, Carbohydrates, and Esters
This thesis describes the thermal, unimolecular decomposition pathways of the following potential biofuels: cyclohexanone (C6H10 ––O), glycolaldehyde (HCOCH2OH), methyl acetate (CH3COOCH3), andExpand
ReaxFF molecular dynamics study on the pyrolysis process of cyclohexanone
Abstract Thermal fragmentation of carbonyl compounds is important in bio-oil pyrolysis and combustion. This paper presents pyrolysis simulations of cyclohexanone with ReaxFF-MD. Annealing simulationsExpand
More insight into cyclohexanone oxidation: Jet-stirred reactor experiments and kinetic modeling
Abstract The kinetics of cyclohexanone oxidation was studied in a jet-stirred reactor (JSR) at atmospheric pressure, over the temperature range 740–1250 K, and for equivalence ratios of φ = 1 and 2Expand
Shock tube measurements and kinetic modeling study on autoignition characteristics of cyclohexanone
Abstract Cyclohexanone was identified as an attractive second-generation biofuel that can be used as an alternative fuel or blending component, thereby reducing greenhouse gas and particulateExpand
Absolute photoionization cross sections of two cyclic ketones: cyclopentanone and cyclohexanone.
The CBS-QB3 calculated values for the adiabatic ionization energies agree well with the experimental values, and the identification of possible dissociative fragments is discussed for both systems. Expand
Computational Kinetic Study for the Unimolecular Decomposition Pathways of Cyclohexanone.
This work presents the first theoretical kinetic study of the unimolecular decomposition pathways of cyclohexanone, a cyclic ketone that could demonstrate important fuel potential and can be used in a future kinetic combustion mechanism. Expand
Isomerization and Fragmentation of Cyclohexanone in a Heated Micro-Reactor.
The thermal decomposition of cyclohexanone (C6H10═O) has been studied in a set of flash-pyrolysis microreactors and appears to result from a variety of competing pathways, all of which open roughly simultaneously. Expand
Kinetics of oxidation of cyclohexanone in a jet-stirred reactor: Experimental and modeling
Abstract The kinetics of oxidation of cyclohexanone (CAS 108-94-1) was studied experimentally in a fused silica jet stirred reactor (JSR) for the first time. The experiments were performed in theExpand
The Retro–Diels–Alder Reaction Part I. C ? C Dienophiles
The Diels–Alder (“DA”) reaction is so familiar to organic chemists that the retro-Diels–Alder or retro-diene reaction (hereafter “rDA”) requires no conceptual introduction. However, a workingExpand