Co-agglomerated crystal of cyclic nitramines with sterically crowded molecules

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Co-agglomerated crystal of cyclic nitramines with sterically crowded molecules

Popis výsledku v původním jazyce

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 A comparison with literature data and our unpublished preliminary results indicates that the CACs and CCs of this type could have potential beneficial applications in propellants.

Název v anglickém jazyce

Co-agglomerated crystal of cyclic nitramines with sterically crowded molecules

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

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

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

CrystEngComm

ISSN

1466-8033

e-ISSN

1466-8033

Svazek periodika

24

Číslo periodika v rámci svazku

44

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

15

Strana od-do

7771-7785

Kód UT WoS článku

000871896200001

EID výsledku v databázi Scopus

2-s2.0-85141512686