Premium
A Hierarchical and Comparative Kinetic Modeling Study of C 1 − C 2 Hydrocarbon and Oxygenated Fuels
Author(s) -
Metcalfe Wayne K.,
Burke Sinéad M.,
Ahmed Syed S.,
Curran Henry J.
Publication year - 2013
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.20802
Subject(s) - chemistry , shock tube , hydrocarbon , acetylene , combustion , methane , acetaldehyde , ethylene , methanol , reactivity (psychology) , formaldehyde , ignition system , reaction mechanism , kinetic energy , organic chemistry , chemical engineering , thermodynamics , ethanol , catalysis , shock wave , medicine , physics , alternative medicine , pathology , quantum mechanics , engineering
A detailed chemical kinetic mechanism has been developed to describe the oxidation of small hydrocarbon and oxygenated hydrocarbon species. The reactivity of these small fuels and intermediates is of critical importance in understanding and accurately describing the combustion characteristics, such as ignition delay time, flame speed, and emissions of practical fuels. The chosen rate expressions have been assembled through critical evaluation of the literature, with minimum optimization performed. The mechanism has been validated over a wide range of initial conditions and experimental devices, including flow reactor, shock tube, jet‐stirred reactor, and flame studies. The current mechanism contains accurate kinetic descriptions for saturated and unsaturated hydrocarbons, namely methane, ethane, ethylene, and acetylene, and oxygenated species; formaldehyde, methanol, acetaldehyde, and ethanol.