Experimental and modeling study on oxidation of n-decane and its mixtures with 1,2,4-trimethylbenzene

被引:3
作者
Liang, Yilun [1 ]
Wang, Cong [1 ]
Zhang, Fanggang [1 ]
Yang, Mo [1 ]
Guo, Song [1 ]
Wang, Juan [1 ]
机构
[1] Beihang Univ, Sch Energy & Power Engn, Natl Key Lab Sci & Technol Aerothermodynam, Beijing 100191, Peoples R China
关键词
Surrogate; N-decane; 1,2,4-Trimethylbenzene; Flow reactor; Detailed kinetic model; NTC behavior; LOW-TEMPERATURE OXIDATION; REACTION-MECHANISM; HIGH-PRESSURE; JET FUELS; COMBUSTION; PYROLYSIS; SURROGATE; JP-8; TOLUENE; XYLENE;
D O I
10.1016/j.combustflame.2024.113345
中图分类号
O414.1 [热力学];
学科分类号
摘要
Paraffins and aromatics are the two most important components of surrogate, both for conventional jet fuel and alternative fuel. To investigate the interaction between paraffins and aromatics, oxidation experiments were carried out in this work for three fuel groups including neat n-decane, 90 % n-decane/10 % 1,2,4-trimethylbenzene (124TMB) mixture and 80 % n-decane/20 % 124TMB mixture by mole. An atmospheric pressure flow reactor (FR) combined with a gas chromatographic (GC) was used to study the fuels oxidation in a wide temperature range (550-1100 K) and equivalence ratios of 0.5 and 1.0. A detailed kinetic model of n-decane/ 124TMB was established to investigate the interaction between the reaction pathways of the two fuels. The model was well validated by the measured experimental data, and to some extent the existence of the peroxyradical (RO2) pathways of 124TMB was proved. The interaction between the reaction pathways of the two fuels were investigated using rate of production (ROP) and sensitivity analyses. N-decane controls the consumption of the fuel mixtures at low and medium temperatures through OH radical pool formed by the low temperature reaction channels such as oxygen addition, keto-hydroperoxide (KHP) and cyclic ether (CE) channel. Negative temperature coefficient (NTC) behavior can be observed for both n-decane and 124TMB. The presence of 124TMB reduces the reaction rate of the low temperature pathways of n-decane, resulting in weaker reactivity and reduced conversion of n-decane. Generation of major intermediates, such as alkenes, alkanes, aldehydes and ketones, is controlled by reactions of n-decane. Aromatic intermediates generation and 124TMB are strongly correlated.
引用
收藏
页数:15
相关论文
共 42 条
[1]  
[Anonymous], 2009, CHEMKIN-PRO 15092
[2]   Experimental and modeling study of the oxidation of xylenes [J].
Battin-Leclerc, F ;
Bounaceur, R ;
Belmekki, N ;
Glaude, PA .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2006, 38 (04) :284-302
[3]   Experimental and modeling study of the low-temperature oxidation of large alkanes [J].
Biet, Joffrey ;
Hakka, Mohammed Hichem ;
Warth, Valerie ;
Glaude, Pierre-Alexandre ;
Battin-Leclerc, Frederique .
ENERGY & FUELS, 2008, 22 (04) :2258-2269
[4]   Chemical interactions between 1,2,4-trimethylbenzene and n-decane in doped counterflow gaseous diffusion flames [J].
Carbone, Francesco ;
Gomez, Alessandro .
PROCEEDINGS OF THE COMBUSTION INSTITUTE, 2015, 35 :761-769
[5]   Understanding the low-temperature chemistry of 1,2,4-trimethylbenzene [J].
Dong, Shijun ;
Kukkadapu, Goutham ;
Liang, Jinhu ;
Cheng, Xiaobei ;
Wagnon, Scott W. ;
Pitz, William J. ;
Curran, Henry J. .
PROCEEDINGS OF THE COMBUSTION INSTITUTE, 2023, 39 (01) :673-684
[6]   Interpreting chemical kinetics from complex reaction-advection-diffusion systems: Modeling of flow reactors and related experiments [J].
Dryer, Frederick L. ;
Haas, Francis M. ;
Santner, Jeffrey ;
Farouk, Tanvir I. ;
Chaos, Marcos .
PROGRESS IN ENERGY AND COMBUSTION SCIENCE, 2014, 44 :19-39
[7]   An experimental study on spray auto-ignition of RP-3 jet fuel and its surrogates [J].
Duan, Yaozong ;
Liu, Wang ;
Huang, Zhen ;
Han, Dong .
FRONTIERS IN ENERGY, 2021, 15 (02) :396-404
[8]   High-temperature rate constant measurements for OH plus xylenes [J].
Elwardany, Ahmed ;
Badra, Jihad ;
Farooq, Aamir .
COMBUSTION AND FLAME, 2015, 162 (06) :2348-2353
[9]   Experimental kinetic study of the oxidation of p-xylene in a JS']JSR and comprehensive detailed chemical kinetic modeling [J].
Gaïl, S ;
Dagaut, P .
COMBUSTION AND FLAME, 2005, 141 (03) :281-297
[10]   Oxidation of m-xylene in a JS']JSR:: Experimental study and detailed chemical kinetic modeling [J].
Gail, Sandro ;
Dagaut, Philippe .
COMBUSTION SCIENCE AND TECHNOLOGY, 2007, 179 (05) :813-844