The Role of Molecule Clustering by Hydrogen Bond in Hydrous Ethanol on Laminar Burning Velocity

IF 1.5 Q3 ENGINEERING, CHEMICAL
I Made Suarta, I. Wardana, N. Hamidi, W. Wijayanti
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引用次数: 10

Abstract

The role of hydrogen bond molecule clustering in laminar burning velocities was observed. The water in hydrous ethanol can change the interaction between water-ethanol molecules. A certain amount of water can become oxygenated which increases the burning velocity. The hydrogen bond interaction pattern of ethanol and water molecules was modeled. Based on the molecular model, azeotropic behavior emerges from ethanol-water hydrogen bond, which is at a 95.1%v composition. The interaction with water molecule causes the ethanol molecule to be clustered with centered oxygenated compound. So, it supplies extra oxygen and provides intermolecular empty spaces that are easily infiltrated by the air. In the azeotropic composition, the molecular bond chain is the shortest, so hypothetically the burning velocity is anticipated to increase. The laminar burning velocity of ethanol fuel was tested in a cylindrical explosion bomb in lean, stoichiometric, and rich mixtures. The experimental result showed that the maximum burning velocity occurred at hydrous ethanol of 95.5%v composition. This discrepancy is the result of the addition of energy from 7.7% free ethanol molecules that are not clustered. At the rich mixture, the burning velocity of this composition is higher than that of anhydrous ethanol.
含水乙醇中氢键分子聚类对层流燃烧速度的影响
观察了氢键分子聚类对层流燃烧速度的影响。含水乙醇中的水可以改变水-乙醇分子之间的相互作用。一定量的水会被氧化,从而增加燃烧速度。模拟了乙醇与水分子的氢键相互作用模式。基于分子模型,乙醇-水氢键在95.1%v组成时出现共沸行为。乙醇分子与水分子的相互作用使乙醇分子与中心含氧化合物聚集在一起。因此,它提供了额外的氧气,并提供了容易被空气渗透的分子间空间。在共沸化合物中,分子键链最短,因此假设燃烧速度会增加。用圆柱形爆炸弹测试了乙醇燃料在稀薄、化学计量和丰富混合物中的层流燃烧速度。实验结果表明,在95.5%v的含水乙醇中燃烧速度最大。这种差异是由于7.7%的自由乙醇分子没有聚集而增加了能量。在丰富的混合物中,该组合物的燃烧速度高于无水乙醇的燃烧速度。
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来源期刊
Journal of Combustion
Journal of Combustion ENGINEERING, CHEMICAL-
CiteScore
2.00
自引率
28.60%
发文量
8
审稿时长
20 weeks
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