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Ignition characteristics in the form of derived cetane numbers (DCN) of (hydro)furanic species are investigated experimentally in an Ignition Quality Tester. Further, quantum chemistry calculations at CBS-QB3 level of theory are applied to determine bond dissociation energies (BDEs) and thereby suggest the initial reactions of the ignition process for all of these fuels. Using

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We have demonstrated previously that a (surrogate fuel) mixture of known pure hydrocarbon species that closely matches four combustion property targets (the derived cetane number (DCN), the hydrogen to carbon molar ratio (H/C), the threshold soot index (TSI), and the average molecular weight) of a specific jet fuel, displays fully prevaporized global combustion kinetic behaviors that are closely consistent. Here, we demonstrate a similar result can be obtained by formulating surrogate hydrocarbon fluid mixtures from distillation cuts of molecular class hydrocarbons or even real gas turbine fuels (for which the specific molecular species classes are no more than qualitatively known). Fully prevaporized chemical reactivities of hydrocarbon fluid surrogate mixtures and real jet fuels are compared using a high pressure flow reactor at 12.5 atm pressure, over the temperature range 500−1000 K, at stoichiometric conditions, and for the same fixed molar carbon content. Results are reported for two different real target jet fuels, a global average Jet-A (POSF 4658) used in numerous publications as a reference target fuel, and a military JP-8 (POSF 5699), both of which contain about 25−30% cycloalkanes (by weight). The surrogate mixture to emulate the Jet-A property targets was formulated from three (normal-paraffinic, iso-paraffinic, and alkyl-aromatic) commercial narrow distillation cut hydrocarbon fluids containing few cycloalkanes. The surrogate mixture for the JP-8 sample was formulated using two different (paraffinic, alkyl aromatic) hydrocarbon solvent cuts and a synthetic, iso-alkane jet fuel (IPK POSF 5642). The composition of the paraffinic fluid was nearly half cyclo paraffinic components (by weight) with similar fractions of normal and iso-paraffinic species. Experimental results for the Jet-A surrogate mixture closely parallel the data for the fully prevaporized Jet-A real fuel, as well for prior surrogate mixtures of n-decane/iso-octane/toluene and n-dodecane/iso-octane/n-propylbenzene/ 1,3,5-trimethyl benzene, all formulated to share the same combustion property targets. The reactivity comparisons for the JP-8 surrogate mixture and real fuel were of similar quality to the Jet-A comparisons but were improved in the reactivity transition characteristic of hot ignition to chemically branched kinetic conditions. The improvement is hypothesized to be mostly a result of cyclo alkane content differences between the specific surrogate mixtures compared to the real fuels. Sooting properties for the JP-8 hydrocarbon fluid surrogate and fuel are compared in fundamental diffusion flames and a model gas turbine combustor elsewhere. 1 The collective results support that surrogate fuels, each with similar fully prevaporized global combustion behaviors but different physical properties (viscosity, surface tension, class composition, distillation curve) and even different functional class distributions across their distillation curve, can be formulated using mixtures of hydrocarbon fluids. This ability can be used to advanta...

With the increasing demand for net-zero sustainable aviation fuels (SAF), new conversion technologies are needed to process waste feedstocks and meet carbon reduction and cost targets. Wet waste is a low-cost, prevalent feedstock with the energy potential to displace over 20% of US jet fuel consumption; however, its complexity and high moisture typically relegates its use to methane production from anaerobic digestion. To overcome this, methanogenesis can be arrested during fermentation to instead produce C2 to C8 volatile fatty acids (VFA) for catalytic upgrading to SAF. Here, we evaluate the catalytic conversion of food waste–derived VFAs to produce n-paraffin SAF for near-term use as a 10 vol% blend for ASTM “Fast Track” qualification and produce a highly branched, isoparaffin VFA-SAF to increase the renewable blend limit. VFA ketonization models assessed the carbon chain length distributions suitable for each VFA-SAF conversion pathway, and food waste–derived VFA ketonization was demonstrated for >100 h of time on stream at approximately theoretical yield. Fuel property blending models and experimental testing determined normal paraffin VFA-SAF meets 10 vol% fuel specifications for “Fast Track.” Synergistic blending with isoparaffin VFA-SAF increased the blend limit to 70 vol% by addressing flashpoint and viscosity constraints, with sooting 34% lower than fossil jet. Techno-economic analysis evaluated the major catalytic process cost-drivers, determining the minimum fuel selling price as a function of VFA production costs. Life cycle analysis determined that if food waste is diverted from landfills to avoid methane emissions, VFA-SAF could enable up to 165% reduction in greenhouse gas emissions relative to fossil jet.

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