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Pathway analysis of skeletal kinetic mechanisms for small alcohol fuels at engine conditions

Pichler, C. LU and Nilsson, E. J.K. LU orcid (2020) In Fuel 275.
Abstract

Seven skeletal reaction mechanisms are presented to highlight key chemistry for mechanism reduction of small alcohol fuels at engine conditions. The mechanisms predict ignition delay times, laminar burning velocity, and extinction strain rate, within 5% of their corresponding complex mechanisms used as a start point for reduction. The mechanisms were developed for equivalence ratio range of 0.7–1.4, pressure range of 1–40 atm, and low to high temperature ignition (700–1700 K), using air mixed with methanol, ethanol, or n-propanol The study points out the importance of tailoring the reduced mechanism to the target computational fluid dynamic simulation case. Moreover, important reaction pathways when constructing LES suitable mechanisms... (More)

Seven skeletal reaction mechanisms are presented to highlight key chemistry for mechanism reduction of small alcohol fuels at engine conditions. The mechanisms predict ignition delay times, laminar burning velocity, and extinction strain rate, within 5% of their corresponding complex mechanisms used as a start point for reduction. The mechanisms were developed for equivalence ratio range of 0.7–1.4, pressure range of 1–40 atm, and low to high temperature ignition (700–1700 K), using air mixed with methanol, ethanol, or n-propanol The study points out the importance of tailoring the reduced mechanism to the target computational fluid dynamic simulation case. Moreover, important reaction pathways when constructing LES suitable mechanisms are highlighted, and a further need to study the reduced low temperature ignition chemistry in order to meet reasonable sizes for computational fluid dynamic simulations are identified.

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organization
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type
Contribution to journal
publication status
published
subject
keywords
Acr, Biofuels, Engine conditions, Propanol, Reduced chemical kinetics, Tailored reduction
in
Fuel
volume
275
article number
117956
publisher
Elsevier
external identifiers
  • scopus:85084201275
ISSN
0016-2361
DOI
10.1016/j.fuel.2020.117956
language
English
LU publication?
yes
id
59991e1e-206c-4502-8d44-e9cf608ad7b3
date added to LUP
2020-06-01 12:01:37
date last changed
2022-04-18 22:33:11
@article{59991e1e-206c-4502-8d44-e9cf608ad7b3,
  abstract     = {{<p>Seven skeletal reaction mechanisms are presented to highlight key chemistry for mechanism reduction of small alcohol fuels at engine conditions. The mechanisms predict ignition delay times, laminar burning velocity, and extinction strain rate, within 5% of their corresponding complex mechanisms used as a start point for reduction. The mechanisms were developed for equivalence ratio range of 0.7–1.4, pressure range of 1–40 atm, and low to high temperature ignition (700–1700 K), using air mixed with methanol, ethanol, or n-propanol The study points out the importance of tailoring the reduced mechanism to the target computational fluid dynamic simulation case. Moreover, important reaction pathways when constructing LES suitable mechanisms are highlighted, and a further need to study the reduced low temperature ignition chemistry in order to meet reasonable sizes for computational fluid dynamic simulations are identified.</p>}},
  author       = {{Pichler, C. and Nilsson, E. J.K.}},
  issn         = {{0016-2361}},
  keywords     = {{Acr; Biofuels; Engine conditions; Propanol; Reduced chemical kinetics; Tailored reduction}},
  language     = {{eng}},
  publisher    = {{Elsevier}},
  series       = {{Fuel}},
  title        = {{Pathway analysis of skeletal kinetic mechanisms for small alcohol fuels at engine conditions}},
  url          = {{http://dx.doi.org/10.1016/j.fuel.2020.117956}},
  doi          = {{10.1016/j.fuel.2020.117956}},
  volume       = {{275}},
  year         = {{2020}},
}