New graphene-nickel gallate nanocomplex (G-M-Ni) was designed, synthesized and characterized to deal with the requirement of functional combustion catalyst based on investigations of combustion mechanisms of propellant, structural analysis of catalyst and simulation results of quantum mechanics. The positive effect of G-M-Ni is not only reflected in the significantly increased burning rate, but also reflected in the reduction of friction sensitivity of composite modified double base (CMDB) propellant. The G-M-Ni nanocomplex exhibited significantly enhanced catalytic performances, and the burning rate of propellant at 20 MPa enhanced from 23.15 to 29.07 mm center dot s(-1). Besides, the friction sensitivity of propellant reduced from 64 % to 36 % after addition of 0.5% GM-Ni. The positive effect of G-M-Ni on CMDB propellant combustion is mainly attributed to its promotion impact on nitroglycerin (NG) pyrolysis, which significantly increased the differential charge density and decreased the decomposition activation energy (from 1.89 eV to 1.38 eV). The gas products produced by the rapid pyrolysis of NG are conducive to the heat feedback between the gas phase and the combustion surface, which makes the propellant have higher burning rate, bright flame, thin dark zone and flocculated quenching surface morphology. The findings in this study confirm the potential of G-M-Ni as a functional combustion catalyst for CMDB propellants, which has guiding significance and inspiration for the development of new combustion catalysts from the view of molecular-level insights. Novelty and significance statement: Recently, graphene based functional combustion catalysts have attracted much attention in the field of solid propellants due to their excellent catalytic combustion performance, reduced sensitivity, and improved mechanical properties. Herein, novel graphene-nickel gallate nanocomplex (G-M-Ni) were designed, synthesized and characterized to deal with the to deal with the requirement of functional combustion catalyst based on investigations of combustion mechanisms of CMDB propellant, structural analysis of new material and simulation results of quantum mechanics. By taking graphene as the benchmark, the G-M-Ni nanocomplex exhibited significantly enhanced catalytic performances, and excellent effect on the reduction of friction sensitivity. The relationship between molecular structure of G-M-Ni and combustion characteristics of CMDB propellant were disclosed. The theory-driven design mode of this work may provide new pathways to tune combustion behaviors of CMDB propellants from the view of molecular-level insights.
