From electronic structure to combustion model application for acrolein chemistry Part Ⅱ: Acrolein + HȮ2 reactions and the development of acrolein sub-mechanism
出版年份 2022 全文链接
标题
From electronic structure to combustion model application for acrolein chemistry Part Ⅱ: Acrolein + HȮ2 reactions and the development of acrolein sub-mechanism
作者
关键词
-
出版物
COMBUSTION AND FLAME
Volume -, Issue -, Pages 112321
出版商
Elsevier BV
发表日期
2022-08-13
DOI
10.1016/j.combustflame.2022.112321
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- H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their implications for kinetic modelling of toluene oxidation
- (2018) M. Pelucchi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2018) Murat Keçeli et al. PROCEEDINGS OF THE COMBUSTION INSTITUTE
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- (2016) Srimanta Pakhira et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2015) Kieran P. Somers et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2014) Sinéad M. Burke et al. COMBUSTION AND FLAME
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- (2014) Marie-Thérèse Rayez et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2014) Jorge Mendes et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2013) Jing Yang et al. CHEMICAL PHYSICS
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- (2013) Alan Kéromnès et al. COMBUSTION AND FLAME
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- (2013) Wayne K. Metcalfe et al. INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
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- (2013) Yuri Georgievskii et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2012) Errol Lewars et al. STRUCTURAL CHEMISTRY
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- (2010) A.A. Burluka et al. FUEL
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- (2010) Rubik Asatryan et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2009) Chao He et al. ATMOSPHERIC ENVIRONMENT
- Emission profile of 18 carbonyl compounds, CO, CO2, and NOx emitted by a diesel engine fuelled with diesel and ternary blends containing diesel, ethanol and biodiesel or vegetable oils
- (2009) Lílian Lefol Nani Guarieiro et al. ATMOSPHERIC ENVIRONMENT
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- (2009) Georgios Fontaras et al. FUEL
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- (2009) Aidee Vega-Rodriguez et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Acrolein health effects
- (2008) O Faroon et al. TOXICOLOGY AND INDUSTRIAL HEALTH
- Carbonyl emissions in diesel and biodiesel exhaust
- (2007) Sérgio Machado Corrêa et al. ATMOSPHERIC ENVIRONMENT
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