Investigations on the thermal decomposition of JP-10/iso-octane binary mixtures

•iso-Octane can accelerate the thermal decomposition of JP-10.•Inhibition–initiation is present in the cracking of JP-10/iso-octane mixture.•The density functional theory is used to explain the formation of product.

To mainly investigate the initiation effect of iso-octane as an activation component on the binary model fuels of JP-10/iso-octane, the thermal decomposition of JP-10, iso-octane and their mixtures has been performed in a stainless-steel tubular reactor at the temperatures from 883 K to 963 K. The conversions of components, and the yields of gas and liquid products for each sample are determined in detail. The addition of iso-octane can promote the decomposition of JP-10, and the initiation (of JP-10)-inhibition (of iso-octane) effects can be observed during the decomposition processes of JP-10/iso-octane mixtures. One possible mechanism has been proposed to demonstrate the initiation effect of iso-octane on the decomposition of JP-10. For the possible pathways, the rate constants of the H-abstraction reactions between the alkyl radicals obtained from CC bond fission of iso-octane and the H atoms of JP-10 are calculated from the density functional theory (DFT). In combination with the quantum calculations and experimental observations, the formation of some decomposition products in the JP-10/iso-octane mixtures can be reasonably illustrated.