TY - JOUR
T1 - Sooting tendencies of co-optima test gasolines and their surrogates
AU - McEnally, Charles S.
AU - Xuan, Yuan
AU - St John, Peter C.
AU - Das, Dhrubajyoti D.
AU - Jain, Abhishek
AU - Kim, Seonah
AU - Kwan, Thomas A.
AU - Tan, Lance K.
AU - Zhu, Junqing
AU - Pfefferle, Lisa D.
N1 - Funding Information:
This work was supported by the Walloon Region (No. 2016015 and 2112607). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.
PY - 2019
Y1 - 2019
N2 - This study characterized the sooting tendencies of a set of gasolines and their surrogates using both experimental and computational methods. Sooting tendency was defined in terms of the soot yield when 1000?ppm of the test fuel is doped into the fuel of a methane/air flame, and it provides a measure of the intrinsic chemical tendency of the fuels to form soot in a generic combustion environment. The test fuels were real gasolines containing enhanced concentrations of alkanes, aromatics, cycloalkanes, olefins, and ethanol. These compositional differences caused the experimentally measured sooting tendencies of the fuels to vary by 240%. The surrogates were 3 mixtures defined by Szybist et al. (2017) and 3 alternative formulations modified for greater experimental convenience. The sooting tendencies measured for the surrogate mixtures agreed with the real fuels to within 15%, and varied with composition in the same order. The sooting tendencies of the surrogates could be predicted to within experimental error with an empirical quantitative structure-property relationship and a linear mixing model. The experimental flames were computationally simulated with a 743-species mechanism, and sooting tendencies derived from the results agreed with the measured values to within 11%. Overall, these results show that the sooting behavior of gasoline can vary considerably within the range of acceptable compositions, and that these variations can be accurately predicted with empirical models and computational simulations.
AB - This study characterized the sooting tendencies of a set of gasolines and their surrogates using both experimental and computational methods. Sooting tendency was defined in terms of the soot yield when 1000?ppm of the test fuel is doped into the fuel of a methane/air flame, and it provides a measure of the intrinsic chemical tendency of the fuels to form soot in a generic combustion environment. The test fuels were real gasolines containing enhanced concentrations of alkanes, aromatics, cycloalkanes, olefins, and ethanol. These compositional differences caused the experimentally measured sooting tendencies of the fuels to vary by 240%. The surrogates were 3 mixtures defined by Szybist et al. (2017) and 3 alternative formulations modified for greater experimental convenience. The sooting tendencies measured for the surrogate mixtures agreed with the real fuels to within 15%, and varied with composition in the same order. The sooting tendencies of the surrogates could be predicted to within experimental error with an empirical quantitative structure-property relationship and a linear mixing model. The experimental flames were computationally simulated with a 743-species mechanism, and sooting tendencies derived from the results agreed with the measured values to within 11%. Overall, these results show that the sooting behavior of gasoline can vary considerably within the range of acceptable compositions, and that these variations can be accurately predicted with empirical models and computational simulations.
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U2 - 10.1016/j.proci.2018.05.071
DO - 10.1016/j.proci.2018.05.071
M3 - Article
AN - SCOPUS:85048691878
SN - 1540-7489
VL - 37
SP - 961
EP - 968
JO - Proceedings of the Combustion Institute
JF - Proceedings of the Combustion Institute
IS - 1
ER -