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