Automatic generation of a detailed mechanism for the oxidation of n-decane
(2006) In Combustion Science and Technology 178(10-11). p.2025-2038- Abstract
- A single detailed kinetic mechanism for the oxidation and combustion of n-decane and n-heptane has been written by means of an automatic mechanism generator ( REACTION) developed in our laboratory. It shows a good prediction of the ignition delay time versus temperature for the oxidation of n-decane at 13 and 50 bar and n-heptane at 13 and 40 bar for different equivalence ratios. The n-decane/n-heptane mechanism consists of a validated and recently published O-2=H-2=C-1-C-4 mechanism produced manually and a generated C-5-C-10 set of sub-mechanisms. The mechanism includes a complete description of both n-decane and n-heptane chemistry. This mechanism has a reasonable size, 506 species and 3684 reactions, but nevertheless it has an extensive... (More)
- A single detailed kinetic mechanism for the oxidation and combustion of n-decane and n-heptane has been written by means of an automatic mechanism generator ( REACTION) developed in our laboratory. It shows a good prediction of the ignition delay time versus temperature for the oxidation of n-decane at 13 and 50 bar and n-heptane at 13 and 40 bar for different equivalence ratios. The n-decane/n-heptane mechanism consists of a validated and recently published O-2=H-2=C-1-C-4 mechanism produced manually and a generated C-5-C-10 set of sub-mechanisms. The mechanism includes a complete description of both n-decane and n-heptane chemistry. This mechanism has a reasonable size, 506 species and 3684 reactions, but nevertheless it has an extensive range of chemistry. This paper represents not only the validation of a specific mechanism but also a validation of the rate constants of the reaction classes used to model the oxidation of alkanes at low and high temperature. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/397525
- author
- Moréac, Gladys LU ; Blurock, Edward LU and Mauss, Fabian LU
- organization
- publishing date
- 2006
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- n-heptane, n-decane, mechanism, combustion, kinetics, oxidation
- in
- Combustion Science and Technology
- volume
- 178
- issue
- 10-11
- pages
- 2025 - 2038
- publisher
- Taylor & Francis
- external identifiers
-
- wos:000239921700015
- scopus:33750325157
- ISSN
- 1563-521X
- DOI
- 10.1080/00102200600793262
- language
- English
- LU publication?
- yes
- id
- a37673ba-ebfc-4121-be76-88eaae91c82c (old id 397525)
- date added to LUP
- 2016-04-01 12:01:16
- date last changed
- 2022-04-28 23:23:18
@article{a37673ba-ebfc-4121-be76-88eaae91c82c,
abstract = {{A single detailed kinetic mechanism for the oxidation and combustion of n-decane and n-heptane has been written by means of an automatic mechanism generator ( REACTION) developed in our laboratory. It shows a good prediction of the ignition delay time versus temperature for the oxidation of n-decane at 13 and 50 bar and n-heptane at 13 and 40 bar for different equivalence ratios. The n-decane/n-heptane mechanism consists of a validated and recently published O-2=H-2=C-1-C-4 mechanism produced manually and a generated C-5-C-10 set of sub-mechanisms. The mechanism includes a complete description of both n-decane and n-heptane chemistry. This mechanism has a reasonable size, 506 species and 3684 reactions, but nevertheless it has an extensive range of chemistry. This paper represents not only the validation of a specific mechanism but also a validation of the rate constants of the reaction classes used to model the oxidation of alkanes at low and high temperature.}},
author = {{Moréac, Gladys and Blurock, Edward and Mauss, Fabian}},
issn = {{1563-521X}},
keywords = {{n-heptane; n-decane; mechanism; combustion; kinetics; oxidation}},
language = {{eng}},
number = {{10-11}},
pages = {{2025--2038}},
publisher = {{Taylor & Francis}},
series = {{Combustion Science and Technology}},
title = {{Automatic generation of a detailed mechanism for the oxidation of n-decane}},
url = {{http://dx.doi.org/10.1080/00102200600793262}},
doi = {{10.1080/00102200600793262}},
volume = {{178}},
year = {{2006}},
}