The Prediction of Middle Distillate Fuel Properties Using Liquid Chromatography-Proton Nuclear Magnetic Resonance Spectroscopy Data

The research was initiated to support the Army's capability to identify the components of fuels which contribute to low temperature performance of fuels. It was discovered that various physical properties of middle distillate fuels can be predicted. The LC-1HNMR technique was developed to predict physical properties based on chemical structures present in the fuels. The prediction of properties is approached from a 'group property' point of view. In the group property approach, the structure of the molecule is examined for structural features which dictate the physical properties of the compounds. In other words, the physical properties of a molecule or compound are determined by the number of types of chemical groups, i.e., methyl, methylene, methine, etc., present. These LC-1H NMR predicted property measurements were compared to measurements obtained by the ASTM fuel tests. Most measurements were found to be within experimental error. The research has demonstrated that the LC-1H NMR approach for measuring various middle distillate fuel properties can be used as an alternative to the ASTM methods of fuel property measurement. Keywords: Diesel fuels, Cetane number, Cetane index, Density, Specific gravity, Pour point, Viscosity, Filterability, Heat of combustion, Cloud point, Volume percent aromatics, Residual carbon content, Boiling points.