Surrogate fuels formulation for FACE gasoline using the NMR spectroscopy

[+] Author and Article Information
Jin Yu

School of Power Engineering, Chongqing University, Chongqing 400044, China

Xiaolong Gou

School of Power Engineering, Chongqing University, Chongqing 400044, China

1Corresponding author.

ASME doi:10.1115/1.4040808 History: Received August 07, 2017; Revised July 05, 2018


An efficient surrogate fuel formulation methodology which directly uses the chemical structure information from nuclear magnetic resonance (NMR) spectroscopy analysis has been proposed. Five functional groups, paraffinic CH2, paraffinic CH3, aromatic C-CH, olefinic CH-CH2 and cycloparaffin CH2, have been selected to show the basic molecular structure of the FACE (fuels for the advanced combustion engines) fuels. A palette that contains six candidate components: n-heptane, iso-octane, toluene, 2,5-dimethylhexane, methylcyclohexane and 1-hexene is chosen for different FACE fuels, based on the consideration that surrogate mixtures should provide the representative functional groups and comparable molecular sizes. The kinetic mechanisms of these six candidate components are chosen to assemble a detailed mechanism of each surrogate fuel for FACE gasoline. Whereafter, the accuracy of FACE A and F surrogate models was demonstrated by comparing the model predictions against experimental data in homogeneous ignition, jet stirred reactor oxidation and premixed flame.

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