JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation
JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation
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DOI：
10.1016/j.combustflame.2015.02.010
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发表时间：
2015-08-01
影响因子：
4.4
通讯作者：
Van Geem, Kevin M.
中科院分区：
文献类型：
--
作者：
Gao, Connie W.;Vandeputte, Aaeron G.;Van Geem, Kevin M.
这项工作提出了冲击管实验和动力学建模的努力，热解和燃烧的JP-10。实验在6-8个大气压下使用2000 ppm的JP-10在1000- 16001 K的温度范围内进行，热解和氧化当量比为0.14至1.0。这项工作与以前的研究不同，因为GC/MS用于鉴定和定量冲击样品中的产品，从而能够跟踪产品收率对当量比的依赖性，并鉴定JP-10分解过程中形成的几种新中间体。利用RMG软件包，建立了JP-10的燃烧和热解动力学模型。由此产生的模型，其中包括691种反应在15,518个反应，被广泛验证对激波管实验数据集，以及新发表的流管热解数据从根特。大多数重要的速率系数是用量子化学计算的。该模型成功地确定了所有主要的热解和燃烧产物，并捕捉到了产品分布的主要趋势。模拟点火延迟同意的因素4与大多数实验点火延迟从文献中收集的数据。所提出的实验工作和建模工作产生了新的见解JP-10的复杂的分解和氧化化学，并确定对芳烃形成的关键途径。(C)2015燃烧研究所爱思唯尔公司出版All rights reserved.
This work presents shock tube experiments and kinetic modeling efforts on the pyrolysis and combustion of JP-10. The experiments were performed at 6-8 atm using 2000 ppm of JP-10 over a temperature range of 1000-16001K for pyrolysis and oxidation equivalence ratios from 0.14 to 1.0. This work distinguishes itself from previous studies as GC/MS was used to identify and quantify the products within the shocked samples, enabling the tracking of product yield dependence on equivalence ratio as well as identifying several new intermediates that form during JP-10's decomposition. A detailed, comprehensive model of JP-10's combustion and pyrolysis kinetics was constructed with the help of RMG, an open-source reaction mechanism generation software package. The resulting model, which includes 691 species reacting in 15,518 reactions, was extensively validated against the shock tube experimental dataset as well as newly published flow tube pyrolysis data from Ghent. Most of the important rate coefficients were computed using quantum chemistry. The model succeeds in identifying all major pyrolysis and combustion products and captures key trends in the product distribution. Simulated ignition delays agree within a factor of 4 with most experimental ignition delay data gathered from literature. The presented experimental work and modeling efforts yield new insights on JP-10's complex decomposition and oxidation chemistry and identify key pathways towards aromatics formation. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.