|
|
|
|
|
|
Instantaneous Emission Spectra and Mechanism Study on the Reaction of ClF3O and n-Decane |
YAN Hua1, LIU Xing-hua2, DING Yong3, ZHAO Zhi1, LUO Yong-feng1, WU Yu-hong1, YAN Peng1, DONG Lu1, WANG Da-xi4 |
1. Academe of the Rocket Force, Beijing 100094, China
2. School of Science, Hainan University, Haikou 570228, China
3. Sichuan Honghua Industry Limited, The Second Branch, Emeishan 614200, China
4. College of Science, the Petroleum University of China, Beijing 102200, China
|
|
|
Abstract Chlorine trifluoride oxide (ClF3O) has stronger corrosive and oxidizing properties than other chlorine fluorides such as ClF3. It can react with numerous materials, e.g., water and hydrocarbons. The reaction between ClF3O and organic hydrocarbons may occur at quite a low temperatures and cause an explosion. So far, however, no detailed information about the reactions is available. Using an intensified charge-coupled device (ICCD) system, transient emission spectra of the reaction of ClF3O and n-decane were measured in a spectral range of 200~850 nm. Using density functional theory (DFT) method were performed to investigate the reaction mechanism of ClF3O and n-decane. All calculated results are consistent with the experimental data, which indicates that the present results are credible. The emission spectra of CH and C2 radical intermediates were observed in the reactions of ClF3O and n-decane under a no-oxygen environment, and this shows that ClF3O is a highly reactive compound. The detection of the CH, C2 and OH radical intermediates shows clearly that a large amount of energy was released during the reaction between ClF3O and n-decane under an oxygen environment. The primary peak was found at 431 nm corresponding to theA2Δ-X2Π electronic transition of the CH radical. The peak at 516 nm produced by theA3Пg-X3Пu electronic transition of the C2 radical was also observed. The peak at 309 nm corresponds to theA2Σ+-X2Пi electronic transition of the OH radical was also found. The results of the calculations showed that the F atom on ClF3O attacks the H atom on n-decane to initialize the reactions, and a F atom on ClF3O abstracted h atom on n-decane to produce HF. The initial reactions were considered to be barrier-less reactions and extremely exothermic. Under a no-oxygen environment, a fluorination reaction occurred between ClF3O and n-decane, and the products were ClFO, HF and corresponding fluoroalkanes. Fluoroalkanes may undergo dehydrogenation to form C10H20F. Then it is cleaved into C4H9 and C6H11F, then C4H9 further decomposed into C2H5 and C2H4, and finally formed CH and C2 radical. The initial steps of reaction in the aerobic environment were the same as in an anaerobic condition. When the reaction proceeded to a certain degree, after producing alkane radicals, O2 formed peroxic radicals, and peroxic radicals continue to decompose to form CH, C2 and OH radical intermediates. In the presence of oxygen, many OH radicals were produced in the reaction process, which accelerated the process of reaction. Macroscopically, n-decane was initiated by deflagration and combustion. Results show that the main emission bands are attributed to OH, CH and C2 radicals produced during the reaction process of ClF3O and n-decane, which reveals that small OH, CH and C2 radicals are important intermediate products in the reaction process of ClF3O and n-decane. This is very important for understanding the micro-process of reaction of ClF3O and n-decane. It also play an important theoretical foundation for the application of the weapon of ClF3O.
|
Received: 2021-07-03
Accepted: 2021-10-03
|
|
|
[1] LIU Hai-feng, YAN Hua, LIU Zhi-yong, et al(刘海峰, 闫 华, 刘志勇, 等). Acta Phys.-Chim. Sin.(物理化学学报), 2007, 23(7): 1099.
[2] YAN Hua, GONG Xue-dong, LUO Yong-feng, et al(闫 华, 贡雪东, 罗永锋, 等). Acta Chimica Sinica(化学学报), 2009, 67(24): 2845.
[3] YAN Hua, TANG Xi-sheng, GONG Xue-dong, et al(闫 华, 唐西生,贡雪东, 等). Acta Chimica Sinica(化学学报), 2010, 68(24): 2559.
[4] Baddiel C B,Cullis C F. Symposium (International) on Combustion, 1961, 8:1089.
[5] Herzler J, Fikri M, Hitzbleck K, et al. Combustion and Flame, 2007, 149(1-2): 25.
[6] Robinson J W. Handbook of Spectroscopy. Cleveland, Ohio: CRC Press,1974.
[7] Nellis W J. J. Chem. Phys., 1984, 80(6): 2789.
[8] Kruse T, Roth P. J. Phys. Chem., A, 1997, 101: 2138.
[9] LI Ping, ZHANG Chang-hua, ZHENG Zu-jun, et al(李 萍,张昌华,郑祖俊,等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2020, 40(10): 265.
[10] Zhang C, Tang H, Zhang C, et al. Chemical Physics Letters, 2013, 556:13.
[11] Zhang C, Li P, Guo J, et al. Energy & Fuels, 2012, 26:1107.
|
[1] |
WANG Ling-ling1, 2, 3, WANG Bo1, 2, 3, XIONG Feng1, 2, 3, YANG Lu-cun1, 2, LI Jing-jing4, XIAO Yuan-ming1, 2, 3, ZHOU Guo-ying1, 2*. A Comparative Study of Inorganic Elements in Cultivativing Astragalus Membranaceus From Different Habitats[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(05): 1407-1412. |
[2] |
LI Ai-yang1, FU Liang2*, CHEN Lin3. Determination of Trace Heavy Metal Elements in Plant Essential Oils by Inductively Coupled Plasma Optical Emission Spectrometry[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(04): 1162-1167. |
[3] |
HU Li-hong1, ZHANG Jin-tong1, WANG Li-yun2, ZHOU Gang3, WANG Jiang-yong1*, XU Cong-kang1*. Optimization of Working Parameters of Glow Discharge Optical Emission Spectrometry of High Barrier Aluminum Plastic Film[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(03): 954-960. |
[4] |
ZHENG Pei-chao, LUO Yuan-jiang, WANG Jin-mei*, HU Qiang, YANG Yang, MAO Xue-feng, LAI Chun-hong, FENG Chu-hui, HE Yu-tong. Determination of Strontium in Strontium-Rich Mineral Water Using Solution Cathode Glow Discharge-Atomic Emission Spectrometry[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(01): 272-276. |
[5] |
LI Ai-yang1, FU Liang2*. Study on the Analysis Total As in Bentonite With Microwave Plasma Atomic Emission Spectrometry[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(12): 3671-3675. |
[6] |
NIE Ling-mei1, ZHA Tao1, XIA Bin-biao1, ZHANG Kai1, GUAN Zhi-qiang1, ZHAO You-quan1*, YUAN Da2, CAO Xuan2, LIU Yan2. Development of a Spectral Measurement System for the Determination of the Fluorescence Efficiency of Dissolved Oxygen Membrane[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(11): 3486-3492. |
[7] |
LIU Hong-wei1,3, FU Liang2*. Analysis of Metal Impurity Elements in Li4Ti5O12 Through Microwave Plasma Atomic Emission Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(10): 3021-3025. |
[8] |
ZHANG Xiao-lin1, LI Shou-zhe2*, JI Chun-jun1*, NIU Yu-long2, BAI Yang2, LIAO Hong-da2. Spectral Study on Combustion Supporting Effect of Plasma Jet for Methane Combustion in Air[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(10): 3251-3255. |
[9] |
LI Zheng-kai1, CHEN Lei1*, WANG Mei-qi1, SONG Peng2, 3, YANG Kun1, ZENG Wen1. Diagnosis of Atmospheric Pressure Argon/Air Needle-Ring Dielectric Barrier Discharge Emission Spectrum[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(10): 3307-3310. |
[10] |
ZHANG Bin-bin1, 2, LI Jing-bin1, 2, WANG Shi-ning1, 2, HE Peng-fei1, 2, ZHA Xiao-qin1, 2, 3. Determination of Lithium, Iron and Phosphorus in Carbon Composite Lithium Iron Phosphate by Perchloric Acid Digestion-Inductively Coupled Plasma Optical Emission Spectrometry[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(09): 2703-2709. |
[11] |
SHAO Ming-jie1, 2, LIU Wen-ke1, 2*, ZHOU Cheng-bo1, 2, WANG Qi1, 2, LI Bao-shi1, 2. Effects of High Light Duration and Frequencies on Growth and Nutrient Element Contents of Hydroponic Lettuce Cultivated Under LED Red and Blue Light[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(09): 2853-2858. |
[12] |
CHEN Chuan-jie1, 2, FAN Yong-sheng3, FANG Zhong-qing1, 2, WANG Yuan-yuan1, 2, KONG Wei-bin1, 2, ZHOU Feng1, 2*, WANG Ru-gang1, 2. Research on the Electron Temperature in Nanosecond Pulsed Argon Discharges Based on the Continuum Emission[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(08): 2337-2342. |
[13] |
ZHAO Na1, 2, WU Kai-yue1, CHEN Jun-yu1, JIA Peng-ying1, LI Xue-chen1*. Study on Spectral Characteristics of Large Diameter Plasma Jet[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(08): 2644-2648. |
[14] |
SONG Peng1,3, LI Zheng-kai2, CHEN Lei2*, WANG Xiao-fang1, LONG Wu-qiang1, ZENG Wen2. Diagnosis of Atmospheric Pressure Helium Cryogenic Plasma Jet[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(06): 1874-1879. |
[15] |
ZHANG Peng-peng1, 2, HU Meng-ying1, 2, XU Jin-li1, 2*, CHEN Wei-ming1, 2, GU Xue1, 2, ZHANG Ling-huo1, 2, BAI Jin-feng1, 2, ZHANG Qin1, 2. Determination of Available Boron in Soil by ICP-OES With Boiling Water Extraction[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(06): 1925-1929. |
|
|
|
|