Numerical investigation of the pressure-dependence of yield sooting indices for n-alkane and aromatic species

Hyunguk Kwon, Abhishek Jain, Charles S. McEnally, Lisa D. Pfefferle, Yuan Xuan

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19 Scopus citations


The pressure-dependence of the Yield Sooting Index (YSI), as a measure of sooting tendency, is numerically investigated for pressures ranging from 1 atm to 15 atm. Straight-chain alkanes, including ethane, propane, n-hexane, n-heptane, and n-dodecane, and aromatic species, including benzene, toluene, xylene, and ethylbenzene, are selected as test fuels. A detailed chemical mechanism is used for all test fuels considered, and a flamelet-based YSI simulation methodology is employed, where the YSI values are computed based on the Polycyclic Aromatic Hydrocarbon (PAH) dimer production rate at each pressure. It is found that the maximum flame centerline soot volume fraction increases with increasing pressure for all test compounds. However, the pressure dependence of the maximum soot volume fraction is similar for the hydrocarbons within the same class (n-alkane or aromatics). As a consequence, the YSI values computed at pressures up to 15 atm show only small deviations from their values computed and measured at atmospheric pressure. These results suggest that YSI is robust also at elevated pressures, close to those found in practical combustion devices. This study is entirely based on numerical simulations without any experimental measurements available for direct validation. Experimental YSI measurements at high pressures would be required to fully confirm the conclusions reported in this manuscript. Nevertheless, our numerical results provide some guidelines for the design of such experiments in the future.

Original languageEnglish (US)
Article number115574
StatePublished - Oct 15 2019

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Fuel Technology
  • Energy Engineering and Power Technology
  • Organic Chemistry


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