Experimental and kinetic modeling study on the ignition characteristics of methyl acrylate and vinyl acetate: Effect of C=C double bond

被引:6
作者
Li, Chong [1 ]
Zhang, Zhenpeng [1 ]
He, Li [2 ]
Ye, Mingzhi [1 ]
Ning, Hongbo [1 ]
Shang, Yanlei [3 ]
Shi, Jinchun [3 ]
Luo, Sheng-Nian [1 ,2 ]
机构
[1] Southwest Jiaotong Univ, Key Lab Adv Technol Mat, Minist Educ, Chengdu 610031, Peoples R China
[2] Southwest Jiaotong Univ, Sch Phys Sci & Technol, Chengdu 610031, Peoples R China
[3] Peac Inst Multiscale Sci, Chengdu 610027, Peoples R China
基金
中国国家自然科学基金;
关键词
Methyl acrylate; Vinyl acetate; Shock tube; Ignition delay time; Kinetic modeling; ATOM ABSTRACTION REACTIONS; DELAY-TIME MEASUREMENTS; SMALL ALKYL ESTERS; SHOCK-TUBE; THERMAL-DECOMPOSITION; HYDROGEN ABSTRACTION; ETHYL-ESTERS; AB-INITIO; PYROLYSIS; OXIDATION;
D O I
10.1016/j.energy.2022.123257
中图分类号
O414.1 [热力学];
学科分类号
摘要
The ignition characteristics of methyl acrylate (MA) and vinyl acetate (VA) are investigated in a heated shock tube at 1176-1618 K, 4-16 atm, and equivalence ratios of 0.5-2.0. The ignition delay times of MA and VA decrease with increasing equivalence ratio and decreasing pressure but pressure has a negligible effect on their ignition at low temperatures. Comparison between ignition delay times of MA and VA as well as their corresponding saturated esters indicates that both saturation and position of C=C double bond affect the ignition process. To reveal its chemical kinetics on ignition characteristics of esters, the existing kinetic model of MA is updated and VA model is further constructed based on the updated MA model. The new kinetic models can better reproduce ignition delay times under current experimental conditions. Comparisons and kinetic analyses demonstrate that MA is more active than VA and Haddition and unimolecular decomposition reactions are the major channels consuming fuel molecules. The reactivities of MA and VA are lower than their corresponding saturated esters at 4 = 0.5 and 1. With increasing temperature and equivalence ratio, the saturated esters become less active than MA and VA because of low decomposition rate and stable intermediate formations, respectively. (C) 2022 Elsevier Ltd. All rights reserved.
引用
收藏
页数:11
相关论文
共 64 条
[1]   Small ester combustion chemistry: Computational kinetics and experimental study of methyl acetate and ethyl acetate [J].
Ahmed, Ahfaz ;
Pitz, William J. ;
Cavallotti, Carlo ;
Mehl, Marco ;
Lokachari, Nitin ;
Nilsson, Elna J. K. ;
Wang, Jui-Yang ;
Konnov, Alexander A. ;
Wagnon, Scott W. ;
Chen, Bingjie ;
Wang, Zhandong ;
Kim, Seonah ;
Curran, Henry J. ;
Klippenstein, Stephen J. ;
Roberts, William L. ;
Sarathy, S. Mani .
PROCEEDINGS OF THE COMBUSTION INSTITUTE, 2019, 37 (01) :419-428
[2]   Structure-reactivity trends of C1-C4 alkanoic acid methyl esters [J].
Akih-Kumgeh, Benjamin ;
Bergthorson, Jeffrey M. .
COMBUSTION AND FLAME, 2011, 158 (06) :1037-1048
[3]   Shock Tube Study of Methyl Formate Ignition [J].
Akih-Kumgeh, Benjamin ;
Bergthorson, Jeffrey M. .
ENERGY & FUELS, 2010, 24 (01) :396-403
[4]   Reaction Pathways for the Thermal Decomposition of Methyl Butanoate [J].
Ali, Mohamad Akbar ;
Violi, Angela .
JOURNAL OF ORGANIC CHEMISTRY, 2013, 78 (12) :5898-5908
[5]   Influence of the double bond position in combustion chemistry of methyl butene isomers: A shock tube and laser absorption study [J].
Arafin, Farhan ;
Laich, Andrew ;
Ninnemann, Erik ;
Greene, Robert ;
Rahman, Ramees K. ;
Vasu, Subith S. .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2020, 52 (11) :739-751
[6]   Oxidation of Small Unsaturated Methyl and Ethyl Esters [J].
Bennadji, Hayet ;
Coniglio, Lucie ;
Billaud, Francis ;
Bounaceur, Roda ;
Warth, Valerie ;
Glaude, Pierre-Alexandre ;
Battin-Leclerc, Frederique .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2011, 43 (04) :204-218
[7]   Chemical-Kinetic Modeling of Ignition Delay: Considerations in Interpreting Shock Tube Data [J].
Chaos, Marcos ;
Dryer, Frederick L. .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2010, 42 (03) :143-150
[8]   Understanding the reactivity of unsaturated alcohols: Experimental and kinetic modeling study of the pyrolysis and oxidation of 3-methyl-2-butenol and 3-methyl-3-butenol [J].
De Bruycker, Ruben ;
Herbinet, Olivier ;
Carstensen, Hans-Heinrich ;
Battin-Leclerc, Frederique ;
Van Geem, Kevin M. .
COMBUSTION AND FLAME, 2016, 171 :237-251
[9]   Autoignition measurements and a validated kinetic model for the biodiesel surrogate, methyl butanoate [J].
Dooley, S. ;
Curran, H. J. ;
Simmie, J. M. .
COMBUSTION AND FLAME, 2008, 153 (1-2) :2-32
[10]   An experimental and kinetic modeling study of methyl formate low-pressure flames [J].
Dooley, S. ;
Dryer, F. L. ;
Yang, B. ;
Wang, J. ;
Cool, T. A. ;
Kasper, T. ;
Hansen, N. .
COMBUSTION AND FLAME, 2011, 158 (04) :732-741