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Pyrolysis and Oxidation of Phenol

机译:苯酚的热解和氧化

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摘要

Pathways of aromatic fuel oxidation have revealed the importance of phenol chemistry and motivated this study to obtain the very first stable intermediate species profiles for the atmospheric pressure oxidation of phenol near 1170 K over a range of equivalence ratios, 0.64-1.73. Under these conditions, cyclopentadiene was found to be a major reaction intermediate. Other major species observed included carbon monoxide, carbon dioxide, acetylene, benzene, 1,3-butadiene, ethene, and methane. Minor species were allene, methylacetylene, propene, ethane, methylcyclopentadiene, and naphthalene. The reaction intermediates are consistent not only with the findings of a cyclopentadiene oxidation study previously performed in this laboratory but also with reactions in the postulated mechanism of phenol oxidation. A complementary study of phenol pyrolysis indicated that carbon monoxide, cyclopentadiene, and benzene were major reaction intermediates, also consistent with an earlier study of phenol pyrolysis in this laboratory. Carbon monoxide yield was once again found to exceed that of cyclopentadiene. However, trace species not detected in the prior study were observed and now shown to account for the difference in formation of carbon monoxide and cyclopentadiene. These data and the associated mechanistic analysis should be instrumental in the further validation of benzene oxidation models and will prove essential to the understanding of the whole of aromatics fuel chemistry.
机译:芳香族燃料氧化的途径揭示了酚化学的重要性,并促使本研究获得在当量比0.64-1.73范围内,在1170 K附近对苯酚的大气压氧化获得第一个稳定的中间物种分布。在这些条件下,发现环戊二烯是主要的反应中间体。观察到的其他主要物种包括一氧化碳,二氧化碳,乙炔,苯,1,3-丁二烯,乙烯和甲烷。次要种类是丙二烯,甲基乙炔,丙烯,乙烷,甲基环戊二烯和萘。反应中间体不仅与先前在该实验室中进行的环戊二烯氧化研究的结果一致,而且与酚氧化的假定机理中的反应一致。苯酚热解的补充研究表明,一氧化碳,环戊二烯和苯是主要的反应中间体,也与该实验室中较早的苯酚热解研究相一致。发现一氧化碳的产率再次超过环戊二烯。然而,观察到先前研究中未检测到的痕量物质,现在表明其解释了一氧化碳和环戊二烯形成的差异。这些数据和相关的机理分析应有助于进一步验证苯氧化模型,并将证明对理解整个芳烃燃料化学至关重要。

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