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Oxidation of 2-methylfuran and 2-methylfuran-heptane blends: An experimental and modeling study

机译:2-甲基呋喃和2-甲基呋喃/正庚烷混合物的氧化:实验和模型研究

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There have been significant advances in understanding ignition behavior of oxygenated biofuels (mainly alcohols) and their blends with conventional fuel components. However, the oxidation behavior of lignocellulosic derived furanic compounds blended with hydrocarbons has received little attention. The present work is an experimental and numerical investigation of 2-methylfuran (2-MF) combustion and its blend with n-heptane. These results are compared with pure n-heptane results to better understand 2-MF reactivity. Ignition delay times of pure 2-MF and the 2-MF-heptane (50/50 2-MF-heptane molar %) blend in air were measured in three different facilities; a rapid compression machine and two different shock tubes. Experiments were performed in the temperature range of 861-913 K at a pressure of 20 bar for stoichiometric pure 2-MF. The ignition delay times of 2-MF-heptane blends were measured in the temperature range of 672-1207 K, at pressures of 10 and 20 bar, and at equivalence ratios of 0.5, 1.0, and 1.5. A comprehensive chemical kinetic model containing low- to high-temperature chemistry of 2-MF and n-heptane was formulated based on a combination of available 2-MF and n-heptane mechanisms and available theoretical studies on 2-MF form literature. The developed detailed kinetic model was validated against the ignition delay data measured in this work as well as against high-temperature shock tube ignition delay, flame speed, and flame species data from literature to ensure the competence of the model. The proposed mechanism predicts the measured and literature data to a reasonable extent. To elucidate fuel specific oxidation pathways, reaction path analyses were performed at various conditions. Furthermore, sensitivity analyses on the ignition delay times were conducted and the dominant reaction pathways in the oxidation of pure and binary mixtures at high, intermediate, and low temperatures were identified. It is found that the competition between n-heptane and 2-MF for OH radicals inhibits the consumption of n-heptane and promotes the consumption of 2-MF. This work provides the first insight into the global low-temperature oxidation behavior of a second generation furanic blended with a hydrocarbon. (C) 2018 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
机译:在理解含氧生物燃料(主要是醇)及其与常规燃料组分的混合燃料的着火行为方面,已有了重大进展。然而,木质纤维素衍生的呋喃化合物与烃混合的氧化行为很少受到关注。本工作是对2-甲基呋喃(2-MF)燃烧及其与正庚烷混合的实验和数值研究。将这些结果与纯正庚烷结果进行比较,以更好地了解2-MF反应性。在三种不同的设备中测量了纯2-MF和2-MF /正庚烷(50/50 2-MF /正庚烷摩尔%)混合物在空气中的点火延迟时间;快速压缩机和两个不同的冲击管。对于化学计量的纯2-MF,在861-913 K的温度范围内,20 bar的压力下进行了实验。在672-1207 K的温度范围内,压力为10和20 bar以及当量比为0.5、1.0和1.5的情况下,测量了2-MF /正庚烷混合物的点火延迟时间。基于2-MF和正庚烷的现有机理以及对2-MF形式文献的理论研究,建立了包含2-MF和正庚烷低温到高温化学反应的综合化学动力学模型。针对这项工作中测得的点火延迟数据以及高温冲击管的点火延迟,火焰速度和来自文献的火焰种类数据,对开发的详细动力学模型进行了验证,以确保模型的能力。所提出的机制可以合理地预测所测和文献数据。为了阐明燃料特定的氧化途径,在各种条件下进行了反应途径分析。此外,对点火延迟时间进行了敏感性分析,并确定了高温,中温和低温下纯和二元混合物氧化的主要反应途径。发现正庚烷与2-MF之间对OH自由基的竞争抑制了正庚烷的消耗并促进了2-MF的消耗。这项工作提供了对第二代呋喃与碳氢化合物共混物的全球低温氧化行为的初步了解。 (C)2018年燃烧研究所。由Elsevier Inc.出版。保留所有权利。

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