Reduction of a detailed chemical mechanism for a kerosene
surrogate via RCCE-CSP
surrogate via RCCE-CSP
File(s)kerosene_Spiral.pdf (1.74 MB)
Accepted version
Author(s)
Koniavitis, Panos
Rigopoulos, S
Jones, William
Type
Journal Article
Abstract
Detailed mechanisms for kerosene surrogate fuels contain hundreds of species and thousands of reactions, indicating a necessity for reduced mechanisms. In this work, we employ a framework that combines Rate-Controlled Constrained Equilibrium (RCCE) with Computational Singular Perturbation (CSP) for systematic reduction based on timescale analysis, to reduce a detailed mechanism for a jet fuel surrogate with n-dodecane, methylcyclohexane and m-xylene. Laminar non-premixed flamelets are utilised for the CSP analysis for different strain rates and therefore different scalar dissipation rate, covering the flammable region of strain rates for the surrogate fuel.
Two RCCE-reduced mechanisms are developed via an RCCE-CSP methodology, one with 17 and one with 42 species, and their accuracy is assessed in a range of cases that test the performance of the reduced mechanism under both non-premixed and premixed conditions and its dynamic response. These include non-premixed flamelets with varying strain rate, laminar premixed flames for a range of equivalence ratios and pressures, flamelets ignited by an artificial pilot or by hot air, and unsteady flamelets with time-dependent strain rate.
The profiles of both major and minor species, as well as important combustion characteristics such as the ignition strain rate and the laminar flame speed, are investigated. The structure of non-premixed flamelets is very well predicted, while the premixed flames are overall well predicted apart from a few deviations in certain species and an underprediction in the laminar flame speed. Apart from the large reduction in dimensionality, the reduction in computational time is also considerable (up to 19 times). As the detailed mechanism comprises 367 species and 1892 reactions, this paper presents the first application of RCCE to a mechanism of this size, as well as a comprehensive validation in a set of cases that include non-premixed and premixed laminar flames, atmospheric and elevated pressures and steady-state and dynamic response.
Two RCCE-reduced mechanisms are developed via an RCCE-CSP methodology, one with 17 and one with 42 species, and their accuracy is assessed in a range of cases that test the performance of the reduced mechanism under both non-premixed and premixed conditions and its dynamic response. These include non-premixed flamelets with varying strain rate, laminar premixed flames for a range of equivalence ratios and pressures, flamelets ignited by an artificial pilot or by hot air, and unsteady flamelets with time-dependent strain rate.
The profiles of both major and minor species, as well as important combustion characteristics such as the ignition strain rate and the laminar flame speed, are investigated. The structure of non-premixed flamelets is very well predicted, while the premixed flames are overall well predicted apart from a few deviations in certain species and an underprediction in the laminar flame speed. Apart from the large reduction in dimensionality, the reduction in computational time is also considerable (up to 19 times). As the detailed mechanism comprises 367 species and 1892 reactions, this paper presents the first application of RCCE to a mechanism of this size, as well as a comprehensive validation in a set of cases that include non-premixed and premixed laminar flames, atmospheric and elevated pressures and steady-state and dynamic response.
Date Issued
2018-08-01
Date Acceptance
2018-03-02
Citation
Combustion and Flame, 2018, 194, pp.85-106
ISSN
0010-2180
Publisher
Elsevier
Start Page
85
End Page
106
Journal / Book Title
Combustion and Flame
Volume
194
Copyright Statement
© 2018 The Combustion Institute. Published by Elsevier Inc. All rights reserved. This manuscript is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/
Sponsor
Commission of the European Communities
Grant Number
CS-GA-2013-620143
Subjects
Science & Technology
Physical Sciences
Technology
Thermodynamics
Energy & Fuels
Engineering, Multidisciplinary
Engineering, Chemical
Engineering, Mechanical
Engineering
Kerosene
Surrogate fuels
Mechanism reduction
RCCE
CSP
CONTROLLED CONSTRAINED EQUILIBRIUM
COUNTERFLOW DIFFUSION FLAMES
N-DODECANE OXIDATION
JET FUEL
COMBUSTION MECHANISMS
REFERENCE COMPONENTS
KINETIC MECHANISMS
REDUCED MECHANISMS
PREMIXED FLAMES
CHEMISTRY
0902 Automotive Engineering
0904 Chemical Engineering
0913 Mechanical Engineering
Energy
Publication Status
Published
Date Publish Online
2018-05-01