JP-10裂解的激波管实验与动力学模拟
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摘要
利用单脉冲激波管对碳氢燃料JP-10在1150～1300 K条件下的高温热裂解特性进行了实验研究,采用气相色谱法分析热裂解产物并获得了热裂解速率系数.主要裂解产物有乙烯、乙炔、丙烯、丁烯、1,3-丁二烯、环戊二烯、环戊烯、苯、甲苯,以及少量的甲烷、乙烷、二甲苯和甲基环戊烯.将每次激波管实验后所有产物浓度累加, JP-10裂解速率系数由实验测定.为了消除激波运行中非理想性和边界层效应导致反应温度确定的误差,采用对比速率法确定裂解温度,即在反应物中加入少量热解速率已知的内标物,根据内标物在相同的激波管实验条件下的裂解程度确定反应温度.根据内标物裂解量确定的激波管裂解反应温度通常小于采用传统测量激波速度由激波关系计算的反射激波后5区温度.在1200～1300 K之间两种方法得到的温度吻合得较好,差异在20K以内,随着温度升高,两者差异增大.在实验研究的基础上,依据San Diego Mechanism对JP-10高温裂解过程进行了动力学模拟.结果显示:主要裂解产物中乙烯、乙炔和1,3-丁二烯产量随温度变化的实验值与San Diego Mechanism的模拟结果有很好的一致性,但环戊烯产量的实验值比模拟值高很多,预示JP-10裂解中完全开环和部分开环反应都是重要的裂解通道.
Pyrolysis of JP-10 hydrocarbon fuel was studied in a single-pulse shock tube over temperature range from1150 K to 1300 K. The main decomposition products were identified by gas chromatography as ethylene, acetylene,propylene, n-butene, 1,3-butadiene, cyclopentadiene, cyclopentene, benzene, toluene, and a small amount of methane,ethane, xylene and 1-methylcyclopentene. By summation of all product concentrations in each run, the rate coefficient of JP-10 pyrolysis was experimentally determined. Comparative rate measurements were used to eliminate the effects of shock's non-ideality and boundary layer. A small amount of the internal standard compound, whose rate expression for decomposition is well established, was added in the test gas mixtures, and the reaction temperatures were determinedaccording to the decomposition extents of the internal standard compound under the same experimental conditions in a shock tube. The reaction temperatures determined from the decomposition extents of the internal standard compound are usually less than those at the region 5 behind reflected shock calculated by shock velocity measurements. The temperatures determined by two methods are consistent between 1150 K and 1300 K, the difference is within 20 K, and the difference increases with the temperature increase. Based on the experimental study, kinetic modeling of JP-10 pyrolysis was carried out according to San Diego Mechanism. The yields of three main products, ethylene, acetylene and 1,3-butadiene, have a good agreement between the experimental and the simulation results,while the experimental results of cyclopentene yield are much higher than simulation,indicating that both fully and partially ring-opening reactions in JP-10 pyrolysis are important decomposition reaction pathways.
Pyrolysis of JP-10 hydrocarbon fuel was studied in a single-pulse shock tube over temperature range from1150 K to 1300 K. The main decomposition products were identified by gas chromatography as ethylene, acetylene,propylene, n-butene, 1,3-butadiene, cyclopentadiene, cyclopentene, benzene, toluene, and a small amount of methane,ethane, xylene and 1-methylcyclopentene. By summation of all product concentrations in each run, the rate coefficient of JP-10 pyrolysis was experimentally determined. Comparative rate measurements were used to eliminate the effects of shock's non-ideality and boundary layer. A small amount of the internal standard compound, whose rate expression for decomposition is well established, was added in the test gas mixtures, and the reaction temperatures were determinedaccording to the decomposition extents of the internal standard compound under the same experimental conditions in a shock tube. The reaction temperatures determined from the decomposition extents of the internal standard compound are usually less than those at the region 5 behind reflected shock calculated by shock velocity measurements. The temperatures determined by two methods are consistent between 1150 K and 1300 K, the difference is within 20 K, and the difference increases with the temperature increase. Based on the experimental study, kinetic modeling of JP-10 pyrolysis was carried out according to San Diego Mechanism. The yields of three main products, ethylene, acetylene and 1,3-butadiene, have a good agreement between the experimental and the simulation results,while the experimental results of cyclopentene yield are much higher than simulation,indicating that both fully and partially ring-opening reactions in JP-10 pyrolysis are important decomposition reaction pathways.
引文
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12 Cooper M,Shepherd J.Experiments studying thermal cracking,catalytic cracking,and pre-mixed partial oxidation of JP-10//39th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit,2003:4687
13 Herbinet O,Sirjean B,Bounaceur R,et al.Primary mechanism of the thermal decomposition of tricyclodecane.The Journal of Physical Chemistry A,2006,110(39):11298-11314
14 Nakra S,Green RJ,Anderson SL.Thermal decomposition of JP-10studied by micro-flowtube pyrolysis-mass spectrometry.Combustion and Flame,2006,144(4):662-674
15 Rao PN,Kunzru D.Thermal cracking of JP-10:Kinetics and product distribution.Journal of Analytical and Applied Pyrolysis,2006,76(1):154-160
16苏小辉,侯红梅,厉刚等.挂式-四氢双环戊二烯热裂解产物分布研究.化学学报,2009,67(7):587-592(Su Xiaohui,Hou Hongmei,Li Gang,et al.Product distribution of thermal cracking of exo-tetrahydrodicyclopentadiene.Acta Chimica Sinca,2009,67(7):587-592(in Chinese))
17 Chenoweth K,van Duin ACT,Dasgupta S,et al.Initiation mechanisms and kinetics of pyrolysis and combustion of JP-10 hydrocarbon jet fuel.The Journal of Physical Chemistry A,2009,113(9):1740-1746
18谢文杰,方文军,邢燕等.ZSM-5分子筛催化JP-10裂解的研究.化学学报,2009,67(1):6-12(Xie Wenjie,Fang Wenjun,Xing Yan,et al.Catalytic cracking of JP-10 on Zeolite ZSM-5.Acta Chimica Sinica,2009,67(1):6-12(in Chinese))
19 Hudzik JM,Asatryan R,Bozzelli JW.Thermochemical properties of exo-tricyclo[5.2.1.02,6]decane(JP-10 jet fuel)and derived tricyclodecyl radicals.The Journal of Physical Chemistry A,2010,114(35):9545-9553
20 Davidson DF,Horning DC,Oehlschlaeger MA,et al.The decomposition products of JP-10.AIAA Paper,2001-3707,2001
21 Gaydon AG,Hurle IR.The shock tube in high-temperature chemical physics.Chapman and Hall,1963:1-7
22 Tsang W,Lifshitz A.Shock tube techniques in chemical kinetics.Annual Review of Physical Chemistry,1990,41(1):559-599
23 Tsang W.Comparative rate measurements with a single-pulse shock tube.The Journal of Chemical Physics,1964,40(4):1171-1172
24范秉诚,崔季平.魔洞型单脉冲激波管.气动实验与测量控制,1990,4(3):58-62(Fan Bingcheng,Cui Jiping.Single-pulse shock tube with a magic hole.Aerodynamic Experiment and Measurement&Control,1990,4(3):58-62(in Chinese))
25崔季平,范秉诚,何宇中.单脉冲激波管在化学动力学研究上的应.化学物理学报,1992(5):374-377(Cui Jiping,Fan Bingcheng,He Yuzhong,The application of single pulse shock tube in chemical kinetics studies.Chinese Journal of Chemical Physics,1992(5):374-377(in Chiinese))
26勾华杰,王苏,范秉诚等.激波管中测量JP-10点火延时的吸附问题研究.实验流体力学,2006,20(4):69-72(Gou Huajie,Wang Su,Fan Bingcheng,et al.Experimental studies of the adsorption in shock tube measurements of the JP-10 ignition delay time.Journal of Experiments in Fluid Mechanics,2006,20(4):69-72(in Chinese))
27 Tsang W.Comparative rate single-pulse shock tube studies on the thermal decomposition of cyclohexene,2,2,3-trimethylbutane,isopropyl bromide,and ethylcyclobutane.International Journal of Chemical Kinetics,1970,2(4):311-323
28 Tsang W,Lifshitz A.Kinetic stability of 1,1,1-Trifluoroethane.International Journal of Chemical Kinetics,1998,30(9):621-628
29 Tang W,Brezinsky K.Chemical kinetic simulations behind reflected shock waves.International Journal of Chemical Kinetics,2006,38(2):75-97
30 Li SC,Varatharajan B,Williams FA.Chemistry of JP-10 ignition.AIAA Journal,2001,39(12):2351-2356
2 Wickham DT,Engel JR,Rooney S,et al.Additives to improve fuel heat sink capacity in air/fuel heat exchangers.Journal of Propulsion and Power,2008,24(1):55-63
3 Gascoin N,Gillard P,Bernard S,et al.Numerical and experimental validation of transient modelling for Scramjet active cooling with supercritical endothermic fuel//4th International Energy Conversion Engineering Conference and Exhibit(IECEC),2006:4028
4 Zhong Z,Wang Z,Sun M.Effects of fuel cracking on combustion characteristics of a supersonic model combustor.Acta Astronautica,2015,110:1-8
5 Zhang C,Qin J,Yang Q,et al.Design and heat transfer characteristics analysis of combined active and passive thermal protection system for hydrogen fueled scramjet.International Journal of Hydrogen Energy,2015,40(1):675-682
6 Taddeo L,Gascoin N,Chetehouna K,et al.Experimental study of pyrolysis-combustion coupling in a regeneratively cooled combustor:System dynamics analysis.Aerospace Science and Technology,2017,67:473-483
7符全军,燕珂,杜宗罡等.吸热型碳氢燃料研究进展.火箭推进,2006,31(5):32-36(Fu Quanjun,Yan Ke,Du Zonggang,et al.Research progress of endothermic hydrocarbon fuels.Journal of Rocket Propulsion.2005,31(5):32-36(in Chinese))
8 Bruno TJ,Huber ML,Laesecke A,et al.Thermochemical and thermophysical properties of JP-10.Technical Report NISTIR,2006,6640:325
9 Burdette GW,Lander HR,Mccoy JR.High-energy fuels for cruise missiles.Journal of Energy,2012,2(5):289-292
10 Brophy C,Netzer D,Sinibaldi J,et al.Operation of a JP10/air pulse detonation engine//36th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit.2000:3591
11 Akbar R,Thibault P,Harris P,et al.Detonation properties of unsensitized and sensitized JP-10 and Jet-A fuels in air for pulse detonation engines//36th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit.2000:3592
12 Cooper M,Shepherd J.Experiments studying thermal cracking,catalytic cracking,and pre-mixed partial oxidation of JP-10//39th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit,2003:4687
13 Herbinet O,Sirjean B,Bounaceur R,et al.Primary mechanism of the thermal decomposition of tricyclodecane.The Journal of Physical Chemistry A,2006,110(39):11298-11314
14 Nakra S,Green RJ,Anderson SL.Thermal decomposition of JP-10studied by micro-flowtube pyrolysis-mass spectrometry.Combustion and Flame,2006,144(4):662-674
15 Rao PN,Kunzru D.Thermal cracking of JP-10:Kinetics and product distribution.Journal of Analytical and Applied Pyrolysis,2006,76(1):154-160
16苏小辉,侯红梅,厉刚等.挂式-四氢双环戊二烯热裂解产物分布研究.化学学报,2009,67(7):587-592(Su Xiaohui,Hou Hongmei,Li Gang,et al.Product distribution of thermal cracking of exo-tetrahydrodicyclopentadiene.Acta Chimica Sinca,2009,67(7):587-592(in Chinese))
17 Chenoweth K,van Duin ACT,Dasgupta S,et al.Initiation mechanisms and kinetics of pyrolysis and combustion of JP-10 hydrocarbon jet fuel.The Journal of Physical Chemistry A,2009,113(9):1740-1746
18谢文杰,方文军,邢燕等.ZSM-5分子筛催化JP-10裂解的研究.化学学报,2009,67(1):6-12(Xie Wenjie,Fang Wenjun,Xing Yan,et al.Catalytic cracking of JP-10 on Zeolite ZSM-5.Acta Chimica Sinica,2009,67(1):6-12(in Chinese))
19 Hudzik JM,Asatryan R,Bozzelli JW.Thermochemical properties of exo-tricyclo[5.2.1.02,6]decane(JP-10 jet fuel)and derived tricyclodecyl radicals.The Journal of Physical Chemistry A,2010,114(35):9545-9553
20 Davidson DF,Horning DC,Oehlschlaeger MA,et al.The decomposition products of JP-10.AIAA Paper,2001-3707,2001
21 Gaydon AG,Hurle IR.The shock tube in high-temperature chemical physics.Chapman and Hall,1963:1-7
22 Tsang W,Lifshitz A.Shock tube techniques in chemical kinetics.Annual Review of Physical Chemistry,1990,41(1):559-599
23 Tsang W.Comparative rate measurements with a single-pulse shock tube.The Journal of Chemical Physics,1964,40(4):1171-1172
24范秉诚,崔季平.魔洞型单脉冲激波管.气动实验与测量控制,1990,4(3):58-62(Fan Bingcheng,Cui Jiping.Single-pulse shock tube with a magic hole.Aerodynamic Experiment and Measurement&Control,1990,4(3):58-62(in Chinese))
25崔季平,范秉诚,何宇中.单脉冲激波管在化学动力学研究上的应.化学物理学报,1992(5):374-377(Cui Jiping,Fan Bingcheng,He Yuzhong,The application of single pulse shock tube in chemical kinetics studies.Chinese Journal of Chemical Physics,1992(5):374-377(in Chiinese))
26勾华杰,王苏,范秉诚等.激波管中测量JP-10点火延时的吸附问题研究.实验流体力学,2006,20(4):69-72(Gou Huajie,Wang Su,Fan Bingcheng,et al.Experimental studies of the adsorption in shock tube measurements of the JP-10 ignition delay time.Journal of Experiments in Fluid Mechanics,2006,20(4):69-72(in Chinese))
27 Tsang W.Comparative rate single-pulse shock tube studies on the thermal decomposition of cyclohexene,2,2,3-trimethylbutane,isopropyl bromide,and ethylcyclobutane.International Journal of Chemical Kinetics,1970,2(4):311-323
28 Tsang W,Lifshitz A.Kinetic stability of 1,1,1-Trifluoroethane.International Journal of Chemical Kinetics,1998,30(9):621-628
29 Tang W,Brezinsky K.Chemical kinetic simulations behind reflected shock waves.International Journal of Chemical Kinetics,2006,38(2):75-97
30 Li SC,Varatharajan B,Williams FA.Chemistry of JP-10 ignition.AIAA Journal,2001,39(12):2351-2356