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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >On the combustion chemistry of n- Heptane and n- Butanol blends
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On the combustion chemistry of n- Heptane and n- Butanol blends

机译：关于正庚烷和正丁醇混合物的燃烧化学

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摘要

High-speed gas sampling experiments to measure the intermediate products formed during fuel decomposition remain challenging yet important experimental objectives. This article presents new speciation data on two important fuel reference compounds, n-heptane and n-butanol, at practical thermodynamic conditions of 700 K and 9 atm, for stoichiometric fuel-to-oxygen ratios and a dilution of 5.64 (molar ratio of inert gases to O_2), and at two blend ratios, 80%-20% and 50%-50% by mole of n-heptane and n-butanol, respectively. When compared against 100% n-heptane ignition results, the experimental data show that n-butanol slows the reactivity of n-heptane. In addition, speciation results of n-butanol concentrations show that n-heptane causes n-butanol to react at temperatures where n-butanol in isolation would not be considered reactive. The chemical kinetic mechanism developed for this work accurately predicts the trends observed for species such as carbon monoxide, methane, propane, 1-butene, and others. However, the mechanism predicts a higher amount of n-heptane consumed at the first stage of ignition compared to the experimental data. Consequently, many of the species concentration predictions show a sharp rise at the first stage of ignition, a trend that is not observed experimentally. An important discovery is that the presence of n-butanol reduces the measured concentrations of the large linear alkenes, including heptenes, hexenes, and pentenes, showing that the addition of n-butanol affects the fundamental chemical pathways of n-heptane during ignition.
机译：用于测量燃料分解过程中形成的中间产物的高速气体采样实验仍然具有挑战性，但仍是重要的实验目标。本文介绍了两种重要的燃料参考化合物正庚烷和正丁醇在实际热力学条件下（700 K和9 atm）的新形态数据，其化学计量的燃料氧气比和5.64稀释倍数（惰性摩尔比）气体以O 2）和两个混合比例分别为正庚烷和正丁醇的80％-20％和50％-50％摩尔。当与100％正庚烷点火结果进行比较时，实验数据表明正丁醇会减慢正庚烷的反应性。另外，正丁醇浓度的形态分析结果表明，正庚烷导致正丁醇在孤立的正丁醇不被认为具有反应性的温度下反应。为这项工作开发的化学动力学机制可以准确预测所观察到的趋势，例如一氧化碳，甲烷，丙烷，1-丁烯等。但是，与实验数据相比，该机理预测在点火的第一阶段消耗的正庚烷数量更多。因此，许多物种的浓度预测显示，在点火的第一阶段急剧上升，这一趋势在实验中没有观察到。一个重要发现是，正丁醇的存在会降低大型直链烯烃（包括庚烯，己烯和戊烯）的测量浓度，表明正丁醇的添加会影响着火过程中正庚烷的基本化学途径。

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