Sooting tendencies of 20 bio-derived fuels for advanced spark-ignition engines

Hyunguk Kwon, Simon Lapointe, Kuiwen Zhang, Scott W. Wagnon, William J. Pitz, Junqing Zhu, Charles S. McEnally, Lisa D. Pfefferle, Yuan Xuan

Research output: Contribution to journalArticlepeer-review

19 Scopus citations


The sooting tendencies of 20 bio-derived fuels suggested as potential blendstocks for spark-ignition engines by the Co-Optimization of Fuels & Engines (Co-Optima) Initiative are studied. The Yield Sooting Index (YSI) is used to quantify the sooting tendencies. The Co-Optima Chemical Model is used to predict the numerical YSIs for all test fuels, and these results are compared with measurements. Experimental YSIs are newly measured for 2 furans and are taken from our previous work for the other compounds. Overall, the predicted YSIs agree well with measurements, within the experimental uncertainties, except for 2,5-dimethylfuran (2,5-DMF). It is found that Polycyclic Aromatic Hydrocarbons (PAH) growth reactions have little influence on the relative soot production from each fuel and therefore on YSI predictions. A modified sensitivity coefficient formulation is proposed to evaluate reaction sensitivities specifically for YSI. This formulation is applied to the 2,5-DMF-doped flame, and six 2,5-DMF initial decomposition reactions, which lead to different major soot precursors, are identified as the most sensitive reactions. The impact of the chemical kinetic uncertainties embedded in these reactions is quantified by randomly perturbing their reaction rates within a factor of two. The resulting prediction uncertainty in the 2,5-DMF-doped flame is found to be ±8 YSI units (±11%), which demonstrates that the test-fuel-specific decomposition reactions indeed have considerable influence on its YSI prediction. This work suggests that more accurate kinetic parameters for fuel initial decomposition reactions can potentially improve YSI predictions effectively, without altering the YSI predictions of other fuels with significantly different molecular structures.

Original languageEnglish (US)
Article number118059
StatePublished - Sep 15 2020

All Science Journal Classification (ASJC) codes

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


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