A Hierarchical and Comparative Kinetic Modeling Study of C1 − C2 Hydrocarbon and Oxygenated Fuels

Wayne K. Metcalfe; Sinéad M. Burke; Syed S. Ahmed; Henry J. Curran

doi:10.1002/kin.20802

journal article Aug 17, 2013

A Hierarchical and Comparative Kinetic Modeling Study of C1 − C2 Hydrocarbon and Oxygenated Fuels

Wayne K. Metcalfe Sinéad M. Burke Syed S. Ahmed Henry J. Curran

International Journal of Chemical Kinetics Vol. 45 No. 10 pp. 638-675 · Wiley

View at Publisher Save 10.1002/kin.20802

Abstract

ABSTRACTA 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.

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References

Details

Published: Aug 17, 2013
Vol/Issue: 45(10)
Pages: 638-675
License: View

Authors

W

Wayne K. Metcalfe

Combustion Chemistry Centre National University of Ireland Galway Ireland

S

Sinéad M. Burke

Combustion Chemistry Centre National University of Ireland Galway Ireland

S

Syed S. Ahmed

Research & Development Centre Saudi Aramco Dhahran 31311 Saudi Arabia

H

Henry J. Curran

Combustion Chemistry Centre National University of Ireland Galway Ireland

Cite This Article

Wayne K. Metcalfe, Sinéad M. Burke, Syed S. Ahmed, et al. (2013). A Hierarchical and Comparative Kinetic Modeling Study of C1 − C2 Hydrocarbon and Oxygenated Fuels. International Journal of Chemical Kinetics, 45(10), 638-675. https://doi.org/10.1002/kin.20802

A Hierarchical and Comparative Kinetic Modeling Study of C1 − C2 Hydrocarbon and Oxygenated Fuels

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