Combustion kinetics of alternative jet fuels, Part-III: Fuel modeling and surrogate strategy

In Part III of our study on alternative aviation fuels, we present a comprehensive database of modeled speciation data consisting of seven hydrocarbons of varying molecular structure and 26 alternative and conventional aviation fuels. The speciation data is obtained from the DLR atmospheric high temperature flow reactor with a coupled molecular beam mass spectrometry (MBMS) detection system (Part-I). The chemical reactivity of these real liquid fuels is investigated both experimentally and numerically. For modeling, detailed fuel surrogates (up to 14 components) are employed for characterizing the fuels. The surrogate formulation strategy is defined based on the fuels' compositional analysis. This work employs high temperature reaction kinetic mechanism for the combustion of wide variety of hydrocarbons of varying molecular classes from n-, iso-, cy-paraffins, to five-ring aromatics presented in Part-II. The reaction mechanism is applied to model 26 aviation fuels using 21 different validated fuel surrogate components to predict the fuel intermediates and soot precursors measured in the reactor. This work aims to identify the effect of fuel surrogate components on the intermediates' formation and its influence on the emissions. Through compilation of many fuels with composition of wide range of chemical classes, we provide a systematic evaluation of how the fuel composition can be used to extract information of specific fuel intermediates and emissions formed.

Automated summary

This study investigates the molecular structure and chemical reactivity of various hydrocarbons and aviation fuels through simulation and experimental methods. By employing detailed fuel surrogates and high temperature reaction kinetic mechanism, it explores the impact of fuel surrogate components on the formation of fuel intermediates.