id:"swepub:oai:lup.lub.lu.se:0a87c856-fdb9-4adb-a04b-b6d4aad798ca"
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| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 04025naa a2200433 4500 | |
| 001 | oai:lup.lub.lu.se:0a87c856-fdb9-4adb-a04b-b6d4aad798ca | |
| 003 | SwePub | |
| 008 | 221024s2023 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://lup.lub.lu.se/record/0a87c856-fdb9-4adb-a04b-b6d4aad798ca2 URI |
| 024 | 7 | a https://doi.org/10.1016/j.combustflame.2022.1123212 DOI |
| 040 | a (SwePub)lu | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a art2 swepub-publicationtype |
| 072 | 7 | a ref2 swepub-contenttype |
| 100 | 1 | a Sun, Jingwuu Beihang University4 aut |
| 245 | 1 0 | a From electronic structure to combustion model application for acrolein chemistry Part Ⅱ : Acrolein + HȮ2 reactions and the development of acrolein sub-mechanism |
| 264 | 1 | b Elsevier BV,c 2023 |
| 520 | a Acrolein, as one of the most hazardous aldehydes, can be formed among the carbonyls from the combustion of bio-fuels or mixtures of bio- and conventional fuels. Moreover, acrolein is also an important combustion intermediate in the oxidations of higher unsaturated hydrocarbons. A deep understanding of acrolein combustion chemistry will be useful for the kinetic modeling of higher hydrocarbons and ultimately practical fuels, with the acrolein reaction subset expected to be an important building block. In this work, the reaction system of acrolein + HȮ2, which is critical in controlling the reactivity of acrolein at low to intermediate temperatures (800–1000 K), was theoretically studied. Subsequently, by lumping the data calculated in this study, its companion work on the reaction system of acrolein + Ḣ in Part Ⅰ, other related high precision theoretical calculation studies and the relevant data estimated in the trusted models, a detailed chemical kinetic sub-mechanism has been developed to describe the directly related combustion reactions of acrolein. The kinetic, thermodynamic and transport data in the acrolein sub-mechanism were used to update and develop the base mechanism, AramcoMech 3.0. The updated model was then validated against ignition delay times (IDT) of acrolein measured in shock tube by Chatelain et al. [Fuel 135 (2014) 498], burning velocity of acrolein measured by Gibbs and Calcote [J. Chem. Engineer. Data 4 (1959) 226], species profiles from jet-stirred reactor for propene oxidation presented by Burke et al. [Combustion and Flame 161 (2014) 2765]. | |
| 650 | 7 | a TEKNIK OCH TEKNOLOGIERx Maskinteknikx Energiteknik0 (SwePub)203042 hsv//swe |
| 650 | 7 | a ENGINEERING AND TECHNOLOGYx Mechanical Engineeringx Energy Engineering0 (SwePub)203042 hsv//eng |
| 650 | 7 | a NATURVETENSKAPx Fysikx Atom- och molekylfysik och optik0 (SwePub)103022 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Physical Sciencesx Atom and Molecular Physics and Optics0 (SwePub)103022 hsv//eng |
| 653 | a Acrolein | |
| 653 | a Hydroperoxyl radical | |
| 653 | a Kinetic modeling | |
| 653 | a Kinetics | |
| 653 | a Thermochemistry | |
| 700 | 1 | a Zhu, Yuxiangu Beihang University4 aut |
| 700 | 1 | a Chen, Jin Taou Beihang University4 aut |
| 700 | 1 | a Konnov, Alexander A.u Lund University,Lunds universitet,Förbränningsfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,LTH profilområde: Energiomställningen,LTH profilområden,Combustion Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,LTH Profile Area: The Energy Transition,LTH Profile areas,Faculty of Engineering, LTH4 aut0 (Swepub:lu)forb-aek |
| 700 | 1 | a Li, Tingu Beihang University4 aut |
| 700 | 1 | a Yang, Lijunu Beihang University4 aut |
| 700 | 1 | a Zhou, Chong Wenu National University of Ireland Galway,Beihang University4 aut |
| 710 | 2 | a Beihang Universityb Förbränningsfysik4 org |
| 773 | 0 | t Combustion and Flamed : Elsevier BVg 251q 251x 0010-2180 |
| 856 | 4 | u http://dx.doi.org/10.1016/j.combustflame.2022.112321y FULLTEXT |
| 856 | 4 8 | u https://lup.lub.lu.se/record/0a87c856-fdb9-4adb-a04b-b6d4aad798ca |
| 856 | 4 8 | u https://doi.org/10.1016/j.combustflame.2022.112321 |
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