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Exploring the Molecular Origin of Jet Fuel Thermal Oxidative Instability through Statistical Analysis of Mass Spectral Data

Christison, Krege M., Lorenz, Robert M., Xue, Liang, Sparkman, O. David
Energy & fuels 2019 v.33 no.2 pp. 830-836
aviation, fuels, ionization, liquid chromatography, mass spectrometry, models, oxidative stability, spectral analysis, statistical analysis
Statistical analysis of electrospray ionization (ESI) high-resolution accurate-mass (HRMS) liquid chromatography/mass spectrometry (LC/MS) data offers a method to study the molecular origin of jet fuel thermal oxidative stability issues as measured by ASTM D3241 (Standard Test Method for Thermal Oxidation Stability of Aviation Turbine Fuels). It is important to understand this type of data processing and how to appropriately use it as a data analysis technique. In this work, Mass Profiler Professional (MPP, Agilent) is used to analyze ESI HRMS LC/MS data of jet fuels. The data are combined with ASTM D3241 results for the jet fuels studied, offering insight into the identities of molecules that correlate with poor results. These data offer support for the soluble macromolecular oxidatively reactive species (SMORS) model for distillate fuel instability.