Comparison study of carbon clusters formation during thermal decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene and benzotrifuroxan: a ReaxFF based sequential molecular dynamics simulation-Reference-Cited by-同舟云学术

Comparison study of carbon clusters formation during thermal decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene and benzotrifuroxan: a ReaxFF based sequential molecular dynamics simulation

Published:2020 Issue:9 Volume:22 Page:5154-5162
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Huang Xiaona¹²³⁴⁵,Zhao Xuefeng¹²³⁴,Long Xinping¹²³⁴,Dai Xiaogan¹²³⁴,Zhang Kaili⁵⁶⁷^ORCID,Li Ming¹²³⁴,Guo Feng⁸⁹¹⁰⁴,Qiao Zhiqiang¹²³⁴^ORCID,Wen Yushi¹²³⁴^ORCID

Affiliation:

1. Institute of Chemical Materials

2. China Academy of Engineering Physics (CAEP)

3. Mianyang

4. China

5. Department of Mechanical Engineering

6. City University of Hong Kong

7. Hong Kong

8. School of Physical Science and Information Technology

9. Liaocheng University

10. Liaocheng 252000

Abstract

The thermal sensitivity difference between TATB and BTF is interpreted from pyrolysis response, initial decomposition mechanism, and clusters formation.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP05734J

Reference36 articles.

1. Diamonds in detonation soot

2. Very small spherical crystals of distorted diamond found in a detonation product of explosive/graphite mixtures and their formation mechanism

3. Catalytic growth of carbon nanotubes through CHNO explosive detonation