For emulation of the chemical kinetic combustion phenomena and physical properties of S-8 POSF 4734 and Jet-A POSF 4658, two surrogate fuels were formulated by directly matching their molecular structure and functional groups. The same functional groups, CH 3 , CH 2 , CH, C, and phenyl, were chosen to formulate the S-8 and Jet-A surrogates with n-dodecane/ 2,5-dimethylhexane (0.581/0.419 mole fraction) and n-dodecane/2,5-dimethylhexane/toluene (0.509/0.219/0.272 mole fraction), respectively. The numerical results using the surrogate fuels were compared with the experimental data and the results predicted by other surrogate fuel formulation methods. The results show that the present method can formulate surrogate mixtures of both jet fuels and Fischer−Tropsch real fuels and reproduce the combustion characteristics in homogeneous ignition and the flow reactor oxidation process. The idea presented here could be extended to other real fuels with the appropriate choice of surrogate fuel components.
Highly pressurized
hydrogen storage is considered as one of the
best methods currently due to its economic performance. However, the
highly pressured storage technology is facing the threat of spontaneous
combustion of high-pressure leakage, and there is still a lack of
research on the kinetics of chemical reactions in the spontaneous
combustion process, which greatly restricts the development of safe
and efficient hydrogen-storage technology. Therefore, in this study,
a three-dimensional simulation using the open-source packages OpenFOAM
with a detailed kinetic model is proposed to analyze the hydrogen
spontaneous combustion process in tubes. Subsequently, the effects
and mechanisms of release pressures and tube geometry parameters are
studied by means of kinetic simulation. The results show that the
magnitude of the release pressure and tube diameter and length directly
affects the spontaneous ignition and the location. In order to get
more deep insights into the pressurized hydrogen release, reaction
path analysis is performed. Three different hydrogen-consumed channels
are found by reaction path analysis. The special performances found
in spontaneous ignition with different release pressures and tube
geometry parameters are caused by the competition between the chain-terminating
channel and chain-branching channel. This work provides novel insights
to understand the hydrogen spontaneous combustion process and enhances
the theoretical basis for seeking safe hydrogen-storage means.
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