Co-agglomerated crystal of cyclic nitramines with sterically crowded molecules

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F22%3A39919770" target="_blank" >RIV/00216275:25310/22:39919770 - isvavai.cz</a>

Result on the web

<a href="https://pubs.rsc.org/en/content/articlelanding/2022/ce/d2ce00840h" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2022/ce/d2ce00840h</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d2ce00840h" target="_blank" >10.1039/d2ce00840h</a>

Result language

angličtina

Original language name

Co-agglomerated crystal of cyclic nitramines with sterically crowded molecules

Original language description

Co-crystallization of cyclic nitramines with sterically crowded molecules, i.e., epsilon-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (epsilon-CL-20) with cis-1,3,4,6-tetranitrooctahydroimidazo-[4,5-d]imidazole (BCHMX), is very difficult, but the co-agglomeration (slurry method) of their mixed micro-co-particles gives very good results. CL-20 is present in these co-agglomerates (CACs) in its beta-form. Besides the medium of co-agglomeration, also the molar ratio is very important; it is possible to obtain beta-CL-20/BCHMX (molar 1.8/1.0) with the impact sensitivity of 14.9 J. The density of these CACs approaches 99.6% of the density of the beta-CL-20 crystals. Based on the application of the Raman, FTIR and PXRD techniques, it has been proved that the agglomeration of CL-20/BCHMX micro-co-particles leads to the formation of CACs mostly with the properties of co-crystals (CCs). This also seems to be confirmed by the relationships between the heat of formation and ring-deformation vibrations (in plane) and between the impact sensitivity and the difference in the asymmetric NO2 stretching vibrations in pure CL-20 and its CACs. The CACs studied have lower detonation energies than would be consistent with the percentage of individual coformers in these crystals. An examination of the most sensitive CACs (1.2 J) as a detonator primer has shown the absence of its required acceleration capabilities in the given detonator design. A comparison with literature data and our unpublished preliminary results indicates that the CACs and CCs of this type could have potential beneficial applications in propellants.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10403 - Physical chemistry

Project

—

Continuities

S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2022

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

CrystEngComm

ISSN

1466-8033

e-ISSN

1466-8033

Volume of the periodical

24

Issue of the periodical within the volume

44

Country of publishing house

GB - UNITED KINGDOM

Number of pages

15

Pages from-to

7771-7785

UT code for WoS article

000871896200001

EID of the result in the Scopus database

2-s2.0-85141512686