Journal article
Decomposition of ethylamine through bimolecular reactions
Combustion and Flame, Vol.163, pp.532-539
2016
Abstract
Ethylamine (EA) often serves as a surrogate species to represent aliphatic amines that occur in biofuels. This contribution reports, for the first time, the thermochemical and kinetic parameters for bimolecular reactions of EA with three prominent radicals that form in the initial stages of biomass decomposition; namely, H, CH3 and NH2. Abstraction of a methylene H atom from the EA molecule largely dominates H loss from the two other sites (i.e., methyl and amine hydrogens) for the three considered radicals. We demonstrate that, differences in bond dissociation enthalpies of methylene C–H bonds among EA, ethanol and propane reflect their corresponding HOMO/LUMO energy gaps. At low and intermediate temperatures, the rate of H abstraction from the methylene site in EA exceeds the corresponding values for propane and ethanol. As the temperature rises, matching entropic factors induce comparable rate constants for the three molecules.
Details
- Title
- Decomposition of ethylamine through bimolecular reactions
- Authors/Creators
- M. Altarawneh (Author/Creator) - Murdoch UniversityM.H. Almatarneh (Author/Creator) - University of JordanA. Marashdeh (Author/Creator) - Theoretical ChemistryB.Z. Dlugogorski (Author/Creator) - Murdoch University
- Publication Details
- Combustion and Flame, Vol.163, pp.532-539
- Publisher
- Elsevier Inc
- Identifiers
- 991005544347707891
- Copyright
- © 2015 The Combustion Institute
- Murdoch Affiliation
- School of Engineering and Information Technology
- Language
- English
- Resource Type
- Journal article
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InCites Highlights
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- Collaboration types
- Domestic collaboration
- International collaboration
- Citation topics
- 7 Engineering & Materials Science
- 7.177 Combustion
- 7.177.238 Combustion Dynamics
- Web Of Science research areas
- Energy & Fuels
- Engineering, Chemical
- Engineering, Mechanical
- Engineering, Multidisciplinary
- Thermodynamics
- ESI research areas
- Engineering