Analysis of Catalytic Hydrothermal Conversion Jet Fuel and Surrogate Mixture Formulation: Components, Properties, and Combustion

Chemical analysis and property measurements of a catalytic hydrothermal conversion jet (CHCJ) fuel were used to formulate hydrocarbon mixtures for use as fuel surrogates. Using conventional gas chromatography/(electron ionization) quadrupole mass spectrometry (GC/(EI)Q MS) and advanced two-dimensional gas chromatography/(electron ionization) high resolution time-of-flight mass spectrometry (GC×GC/(EI)TOF MS), CHCJ was found to differ from Jet-A fuel and to contain mostly linear alkanes, alkylcyclohexanes, and alkylbenzenes, with small amounts of branched alkanes and multiring aromatic compounds. Various surrogates were prepared containing n-dodecane, n-butylcyclohexane, and n-butylbenzene, and their density, viscosity, speed of sound, surface tension, and derived cetane number (DCN) were measured to determine the compositions that most closely matched that of the CHCJ. The optimal surrogates were (1) n-butylcyclohexane, (2) 0.64 mole fraction of n-butylbenzene in n-dodecane, and (3) three three-component ...