Detailed chemical kinetic mechanism for surrogates of alternative jet fuels

Development of a skeletal mechanism for diesel surrogate fuel by using a decoupling methodology

“…Therefore, the increase of the reaction rate of CH 3 +HO 2 =CH 4 +O 2 results in considerably retarded ignition delay time. Consistently, the high sensitivity coefficient of the reaction CH 3 +HO 2 is observed by Naik et al [81]. …”

Autoignition studies of conventional and Fischer–Tropsch jet fuels

“…A number of jet fuel surrogates and kinetic models have been described in the literature. Here we compare ignition delay measurements for Jet A, S-8, and Shell GTL with surrogate jet fuel kinetic modeling efforts from the most recent literature, including the Honnet et al [6] and Dooley et al [7] surrogate models for Jet A and the Naik et al [8] surrogate model for S-8 and Shell GTL. The details of these kinetic models and surrogates are given in Table 3.…”

“…15 shows reasonably good agreement at high temperatures, with differences in many cases within the experimental uncertainty limits and at most a factor of two, and better agreement in the NTC and low-temperature regime than found for the Honnet et al model, with differences of at most a factor of two to three. The a priori [7] Jet A 42.7% n-decane Low-and high-temperature chemistry; 1599 species and 6633 reactions 33.0% iso-octane 24.3% toluene Naik et al [8] S-8 32.0% iso-octane High-temperature chemistry only; 597 species and 3854 reactions 25.0% n-decane 43.0% n-dodecane Naik et al [8] Shell GTL 28.0% iso-octane High-temperature chemistry only; 597 species and 3854 reactions 61.0% n-decane 11.0% n-dodecane modeling predictions shown in Figs. 14 and 15 represent the stateof-the-art in surrogate jet fuel kinetic modeling and illustrate that, while improvements are needed for quantitative prediction of ignition delay, the models generally capture the trends in the temperature-pressure-equivalence ratio parameter space and the models do a good job of capturing the reactivity in the high-temperature regime, most important for simulations of traditional aviation gas turbine combustors.…”

“…Because ignition delay is highly sensitive to fuel composition and structure, as well as temperature, pressure, and reactant mixture composition, it is a good overall indicator of fuel reactivity variability and an appropriate target for the assessment of kinetic modeling schemes. Since jet aviation fuels typically contain hundreds to thousands of distinct compounds, kinetic modeling for real jet fuels is typically carried out using surrogate fuels [1][2][3][4][5][6][7][8], comprised of a limited number of pure compounds and defined to represent some subset of real fuel combustion and/or physical properties. Experimental data is needed for real multi-component fuels, fuel surrogates, and individual components in order to develop, assess, and validate surrogate mixtures and kinetic models.…”

Experimental studies on the combustion characteristics of alternative jet fuels

“…They proposed a detailed kinetic reaction mechanism for synthetic jet fuels from low to high temperature range. Naik et al [13] developed a detailed kinetic mechanism for alternative jet fuel surrogates. Kick et al [14] reported laminar flame speed data for two synthetic jet fuels and proposed a detailed kinetic model.…”