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Chemical Kinetic Mechanism for Pyrolysis Bio-oil Surrogate
Energy & Fuels ( IF 5.3 ) Pub Date : 2018-08-28 00:00:00 , DOI: 10.1021/acs.energyfuels.8b02219
Dario Alviso 1, 2 , Shirley Duarte 3, 4 , Nelson Alvarenga 3 , Juan Carlos Rolón 1 , Nasser Darabiha 5
Affiliation  

Bio-oil is a complex real fuel, considered as a carbon-neutral alternative to hydrocarbons in the transport sector, which is composed of hundreds of compounds, mostly oxygenated. Pyrolysis oil has high acidity, low thermal stability, low calorific value, high water content, high viscosity, and poor lubrication characteristics. Therefore, its use in transportation is limited. These characteristics make it totally different from petroleum fuels affecting the combustion process. Blends of bio-oil/diesel/alcohols are viable short-term alternatives to utilize an important fraction of these oils. In the present work, pyrolysis was performed on torrefied coconut endocarp and the collected bio-oil was analyzed using gas chromatography/mass spectrometry (GC/MS). Based on the GC/MS analysis, three different blends of toluene, ethanol, and acetic acid representative of the real fuel chemistry were proposed as the surrogates to carry out combustion studies. The objective of this paper is to develop a chemical kinetics mechanism for toluene/ethanol/acetic acid blend oxidation. This will be done by combining the chemical model of Huang et al. [ Energy Convers. Manage. 2017, 149, 553] for toluene and that of Christensen and Konnov [ Combust. Flame 2016, 170, 12] for ethanol/acetic acid reactions. The resulting chemical model consisting of 180 species and 1495 reactions will be validated by performing combustion zero- and one-dimensional simulations for toluene/ethanol/acetic acid blends by studying constant-volume autoignition and laminar flame speed. Then, as Huang et al.’s original model was developed and validated for diesel/n-butanol blends, autoignition delays and laminar flame speed simulations of bio-oil/diesel/n-butanol are presented.

中文翻译:

热解生物油替代物的化学动力学机理

生物油是一种复杂的真实燃料,在交通运输领域被认为是碳氢化合物的碳中和替代物,它由数百种化合物组成,大部分被氧化。热解油具有高酸度,低热稳定性,低热值,高含水量,高粘度和不良的润滑特性。因此,其在运输中的使用受到限制。这些特性使其与影响燃烧过程的石油燃料完全不同。生物油/柴油/醇的混合物是可行的短期替代品,可利用这些油的重要部分。在目前的工作中,对椰壳果皮进行热解,并使用气相色谱/质谱法(GC / MS)对收集的生物油进行分析。根据GC / MS分析,甲苯,乙醇,提出了代表实际燃料化学的乙酸和乙酸作为进行燃烧研究的替代物。本文的目的是开发甲苯/乙醇/乙酸共混物氧化的化学动力学机理。这将通过结合Huang等人的化学模型来完成。[能源转换。管理。 2017年 149,553]为甲苯和Christensen和孔诺夫[的燃烧。火焰 2016 170,12]乙醇/乙酸反应。通过研究恒定体积的自燃和层流火焰速度,对甲苯/乙醇/乙酸混合物进行燃烧零维和一维模拟,可以验证所得的包含180种物质和1495个反应的化学模型。然后,随着Huang等人的原始模型被开发并用于柴油/丁醇混合物的验证,提出了自燃延迟和生物油/柴油/丁醇的层流火焰速度模拟。
更新日期:2018-08-28
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