Decane is a component of Jet Propellant-8 fuel that undergoes pyrolysis prior its oxidation in combustion. The reaction of decane pyrolysis has been investigated using the Gaussian 09 and MOLPRO computational chemistry programs at various levels of theory. Initially, Potential Energy Surfaces (PES) have been generated at the G3(MP2,CC)/B3LYP/6-311G** level of theory for byproducts formed upon pyrolysis. The next step has been Rice-Ramsperger-Kassel- Marcus (RRKM) – Master Equation (ME) calculations to evaluate rate constants and branching ratios of various products. The computed results provide a better understanding of the pathways to end products in airplane jet engines for the pyrolysis of decane.

Investigation on pyrolsis of jet propellant 8

253rd National Meeting (2017)

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