Modeling and Experimental Investigation of Methylcyclohexane Ignition in a Rapid Compression Machine

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A new mechanism for the oxidation of methylcyclohexane has been developed. The mechanism combined a newly-developed low temperature mechanism with a previously developed high temperature mechanism. Predictions from the chemical kinetic model have been compared to experimentally measured ignition delay times from a rapid compression machine. Predicted ignition delay times using the initial estimates of the methylcyclohexyl peroxy radical isomerization rate constants were much longer than those measured at low temperatures. The initial estimates of isomerization rate constants were modified based on the experimental findings of Gulati and Walker that indicate a much slower rate of isomerization. Predictions using the ... continued below

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Pitz, W J; Naik, C V; Mhaold?in, T N; Curran, H J; Orme, J P; Simmie, J M et al. October 13, 2005.

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A new mechanism for the oxidation of methylcyclohexane has been developed. The mechanism combined a newly-developed low temperature mechanism with a previously developed high temperature mechanism. Predictions from the chemical kinetic model have been compared to experimentally measured ignition delay times from a rapid compression machine. Predicted ignition delay times using the initial estimates of the methylcyclohexyl peroxy radical isomerization rate constants were much longer than those measured at low temperatures. The initial estimates of isomerization rate constants were modified based on the experimental findings of Gulati and Walker that indicate a much slower rate of isomerization. Predictions using the modified rate constants for isomerizations yielded faster ignition at lower temperatures that greatly improved the agreement between model predictions and the experimental data. These findings point to much slower isomerization rates for methylcyclohexyl peroxy radicals than previously expected.

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  • Presented at: 2005 Fall Meeting of the Western States Section of the Combustion Institute, Stanford, CA, United States, Oct 17 - Oct 18, 2005

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  • Report No.: UCRL-CONF-216161
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 885391
  • Archival Resource Key: ark:/67531/metadc892326

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Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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  • October 13, 2005

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  • Sept. 23, 2016, 2:42 p.m.

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  • Nov. 29, 2016, 8:17 p.m.

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Pitz, W J; Naik, C V; Mhaold?in, T N; Curran, H J; Orme, J P; Simmie, J M et al. Modeling and Experimental Investigation of Methylcyclohexane Ignition in a Rapid Compression Machine, article, October 13, 2005; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc892326/: accessed December 13, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.