Experimental and Kinetic Modeling Study of C2H4 Oxidation at High Pressure

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Article on an experimental and kinetic modeling study of C2H4 oxidation at high pressure.

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25 p.

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Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Alzueta, María U.; Gao, Yide; Marshall, Paul & Glarborg, Peter 2009.

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Article on an experimental and kinetic modeling study of C2H4 oxidation at high pressure.

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25 p.

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Abstract: A detailed chemical kinetic model for oxidation of C2H4 in the intermediate temperature range and high pressure has been developed and validated experimentally. New ab initio calculations and RRKM analysis of the important C2H3 + O2 reaction was used to obtain rate coefficients over a wide range of conditions (0.003–100 bar, 200–3000 K). The results indicate that at 60 bar and medium temperatures vinyl peroxide, rather than CH2O and HCO, is the dominant product. The experiments, involving C2H4/O2 mixtures diluted in N2, were carried out in a high pressure flow reactor at 600–900 K and 60 bar, varying the reaction stoichiometry from very lean to fuel-rich conditions. Model predictions are generally satisfactory. The governing reaction mechanisms are outlined based on calculations with the kinetic model. Under the investigated conditions the oxidation pathways for C2H4 are more complex than those prevailing at higher temperatures and lower pressures. The major differences are the importance of the hydroxyethyl (CH2CH2OH) and 2-hydroperoxyethyl (CH2CH2OOH) radicals, formed from addition of OH and HO2 to C2H4, and vinyl peroxide, formed from C2H3 + O2. Hydroxyethyl is oxidized through the peroxide HOCH2CH2OO (lean conditions) or through ethenol (low O2 concentration), while 2-hydroperoxyethyl is converted through oxirane.

This is the accepted manuscript version of the article. Reprinted with permission from Elsevier Science Ltd., all rights reserved. The final definitive version is available here: http://www.sciencedirect.com/science/article/pii/S154074890800343X

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  • Proceedings of the Combustion Institute, 2009, Amsterdam: Elsevier Science Ltd., pp. 367-375

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  • Publication Title: Proceedings of the Combustion Institute
  • Volume: 32
  • Issue: 1
  • Page Start: 367
  • Page End: 375
  • Peer Reviewed: Yes

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  • 2009

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  • Oct. 2, 2015, 9:40 a.m.

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Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Alzueta, María U.; Gao, Yide; Marshall, Paul & Glarborg, Peter. Experimental and Kinetic Modeling Study of C2H4 Oxidation at High Pressure, article, 2009; [Amsterdam, Netherlands]. (digital.library.unt.edu/ark:/67531/metadc725792/: accessed April 24, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.