Effect of modification of binary solvent molecules on ε-CL-20 crystal morphology: a molecular dynamics study-Reference-Cited by-同舟云学术

Effect of modification of binary solvent molecules on ε-CL-20 crystal morphology: a molecular dynamics study

Published:2021 Issue:19 Volume:23 Page:3524-3536
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Zhao Yanpeng¹²³⁴⁵^ORCID,Su Guanwen¹²³⁴⁵,Liu Guozhao¹²³⁴⁵,Wei Hongyuan¹²³⁴⁵,Dang Leping¹²³⁴⁵^ORCID

Affiliation:

1. Tianjin Key Laboratory of Chemical Process Safety and Equipment Technology

2. School of Chemical Engineering and Technology

3. Tianjin University

4. Tianjin 300350

5. P.R. China

Abstract

The effects of thirteen binary solvent systems on the growth of CL-20 were studied by molecular dynamics simulation, and the effect of antisolvent properties on the solvent inhibition was systematically investigated.

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CE/D1CE00003A

Reference32 articles.

1. Facile fabrication of porous CL-20 for low sensitivity high explosives

2. Molecular dynamics calculation on structures, stabilities, mechanical properties, and energy density of CL-20/FOX-7 cocrystal explosives

3. Molecular dynamics study on the correlation between structure and sensitivity for defective RDX crystals and their PBXs

4. Crystal morphology of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) under solvents system with different polarity using molecular dynamics

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