Reaction mechanism from quantum molecular dynamics for the initial thermal decomposition of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N), promising green energetic materials

Abstract

A variety of initial reactions are favorable for MTO and MTO3N, two possible candidates for green energetic materials.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2015
Source ID
10.1039/c5ta02486b

Entities

People

  • Cai-Chao Ye
  • Qi An
  • Saber Naserifar
  • Sergey Zybin
  • Tao Cheng
  • William Andrew Goddard III
  • Xue-hai Ju

Organizations

  • California Institute of Technology
  • Nanjing University of Science and Technology
  • Office of Naval Research

Tags

Readers

  • Aerospace Engineering
  • Quantum Chemistry

Technology Areas

  • Quantum Computing