Designing high-performance hypergolic propellants based on materials genome

A new generation of rocket propellants for deep space exploration, ionic liquid propellants, with long endurance and high stability, is attracting more and more attention. However, a major defect of ionic liquid propellants that restricts their application is the inadequate hypergolic reactivity between the fuel and the oxidant, and this defect results in local burnout and accidental explosions during the launch process. We propose a visualization model to show the features of structure, density, thermal stability, and hypergolic activity for estimating propellant performances and their application abilities. This propellant materials genome and visualization model greatly improves the efficiency and quality of developing high-performance propellants, which benefits the discovery of new advanced functional molecules in the field of energetic materials.