Regularities of the Formation of Cool-Flame Oxidation Products of Rich Propane-Oxygen Mixtures in a Two-Section Reactor

IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Russian Journal of Physical Chemistry B Pub Date : 2024-07-22 DOI:10.1134/s1990793124700040
N. M. Poghosyan, M. Dj. Poghosyan, A. H. Davtyan, S. D. Arsentev, L. N. Strekova, V. S. Arutyunov
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Abstract

The effect of the ratio of the reagents on a stabilized cool flame (CF) of rich propane-oxygen mixtures is investigated. It is found that with an increase in the initial concentration of propane in the mixture, its consumption, as well as the concentration of propylene, has a maximum at a ratio of C3H8 : O2 = 1 : 1. In this case, the selectivity of propylene formation reaches a maximum at a ratio of C3H8 : O2 = 4 : 1. It is shown that an increase in the initial propane concentration in the mixture increases the yield of methane, but reduces the yield of propylene, ethylene, hydrogen, CO, CO2, methanol, formaldehyde and acetaldehyde. At a ratio of C3H8 : O2 = 6 : 1, ethane was also found in the reaction products. The possibility of ethanol formation in the reactions of ethoxyl and hydroxyethyl radicals with acetaldehyde is analyzed using the CBS-QB3 quantum-chemical method.

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双段反应器中富丙烷-氧气混合物冷焰氧化产物形成的规律性
摘要 研究了试剂比例对富丙烷-氧气混合物稳定冷焰(CF)的影响。研究发现,随着混合物中丙烷初始浓度的增加,丙烷的消耗量以及丙烯的浓度在 C3H8 :在这种情况下,丙烯生成的选择性在 C3H8 : O2 = 4 : 1 的比例下达到最大值:实验表明,混合物中丙烷初始浓度的增加会提高甲烷的产率,但会降低丙烯、乙烯、氢气、一氧化碳、二氧化碳、甲醇、甲醛和乙醛的产率。在 C3H8 :O2 = 6 : 1 时,反应产物中也发现了乙烷。利用 CBS-QB3 量子化学方法分析了乙氧基和羟乙基与乙醛反应生成乙醇的可能性。
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来源期刊
Russian Journal of Physical Chemistry B
Russian Journal of Physical Chemistry B 化学-物理:原子、分子和化学物理
CiteScore
2.20
自引率
71.40%
发文量
106
审稿时长
4-8 weeks
期刊介绍: Russian Journal of Physical Chemistry B: Focus on Physics is a journal that publishes studies in the following areas: elementary physical and chemical processes; structure of chemical compounds, reactivity, effect of external field and environment on chemical transformations; molecular dynamics and molecular organization; dynamics and kinetics of photoand radiation-induced processes; mechanism of chemical reactions in gas and condensed phases and at interfaces; chain and thermal processes of ignition, combustion and detonation in gases, two-phase and condensed systems; shock waves; new physical methods of examining chemical reactions; and biological processes in chemical physics.
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