Modeling the autoignition of fuel blends with a multistep model

Elisa Toulson, Casey M. Allen, Dennis J. Miller, Joanna McFarlane, Harold J. Schock, Tonghun Lee

Research output: Contribution to journalArticlepeer-review


There is growing interest in using biodiesel in place of or in blends with petrodiesel in diesel engines; however, biodiesel oxidation chemistry is complicated to directly model and existing surrogate kinetic models are very large, making them computationally expensive. The present study describes a method for predicting the ignition behavior of blends of n-heptane and methyl butanoate, fuels whose blends have been used in the past as a surrogate for biodiesel. The autoignition is predicted using a multistep (8-step) model in order to reduce computational time and make this a viable tool for implementation into engine simulation codes. A detailed reaction mechanism for n-heptane-methyl butanoate blends was used as a basis for validating the multistep model results. The ignition delay trends predicted by the multistep model for the n-heptane-methyl butanoate blends matched well with that of the detailed CHEMKIN model for the majority of conditions tested.

Original languageEnglish (US)
Pages (from-to)632-639
Number of pages8
JournalEnergy and Fuels
Issue number2
StatePublished - Feb 17 2011
Externally publishedYes

ASJC Scopus subject areas

  • General Chemical Engineering
  • Fuel Technology
  • Energy Engineering and Power Technology


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