Login / Signup

Promising Energetic Melt-Castable Material with Balanced Properties.

Fang ChenYi WangSiwei SongLi-Li TanMengying WeiChuan HuangJian-Bo ChenSitong ChenMing HuangQinghua Zhang
Published in: ACS applied materials & interfaces (2023)
As one of the most widely used energetic materials to date, trinitrotoluene (TNT) suffers from several generally known drawbacks such as high toxicity, oil permeability, and poor mechanical properties, which are driving researchers to explore new high-performance energetic melt-castable materials for replacing TNT. However, it still remains a great challenge to discover a promising TNT alternative due to the multidimensional requirements for practical applications. Herein, we reported a new promising energetic melt-castable molecule, 4-methoxy-1-methyl-3,5-dinitro-1 H -pyrazole (named as DMDNP). Besides a reasonable melting point ( T m : 94.8 °C), good thermostability ( T d : 293.2 °C), and excellent chemical compatibility, DMDNP exhibits some obvious advantages over TNT including more environmentally friendly synthesis, high yield, low toxicity, low volume shrinkage, low mechanical and electrostatic sensitivities, etc., demonstrating well-balanced properties and great promise as a TNT replacement.
Keyphrases
  • oxidative stress
  • high resolution
  • endothelial cells
  • molecular docking
  • deep learning
  • molecular dynamics simulations
  • artificial intelligence
  • psychometric properties