A detailed CO2(1B2) chemiluminescence chemical kinetics model for carbon monoxide and hydrocarbon oxidation
File(s)
Published version
Author(s)
Liu, Yushuai
Hardalupas, Yannis
Taylor, Alexander MKP
Type
Journal Article
Abstract
The CO2(1B2) - CO2(X1Σ+g) transition is a source of chemiluminescence from CO and hydrocarbon premixed flames and can be used as a diagnostic; however, its chemistry is not well known due to its broadband nature. Although several attempts have been made to model CO2(1B2) chemiluminescence, none performs well in hydrocarbon flames. We propose a new detailed kinetic model for CO2(1B2) chemiluminescence, based on shock tube experiments in the literature and on opposed flame data presented here. The mechanism consists of 26 reactions which describe the formation of the lower excited state molecule CO2(3B2) (R1), the inter-system crossing reaction between CO2(3B2) and CO2(1B2) (R2), CO2(1B2), the formatting reaction path in hydrocarbon flames (R3), CO2(1B2) radiative quenching (R4) and collisional quenching of CO2(3B2) and CO2(1B2) (R5-R26). The reaction rates constants of R1 and R3 within ± 60% and ± 32% uncertainty, respectively, were determined as follows:
Date Issued
2022-09
Date Acceptance
2022-04-22
Citation
Fuel, 2022, 323, pp.1-10
ISSN
0016-2361
Publisher
Elsevier BV
Start Page
1
End Page
10
Journal / Book Title
Fuel
Volume
323
Copyright Statement
© 2022 The Author(s). Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
License URL
Sponsor
Engineering & Physical Science Research Council (E
Engineering & Physical Science Research Council (EPSRC)
Identifier
https://www.sciencedirect.com/science/article/pii/S0016236122012157?via%3Dihub
Grant Number
J13878
EP/M015300/1
Subjects
Energy
0306 Physical Chemistry (incl. Structural)
0904 Chemical Engineering
0913 Mechanical Engineering
Publication Status
Published
Article Number
124363
Date Publish Online
2022-04-29