Towards the thermal reactivity and behavior of co-agglomerated crystals of DATB and TATB with attractive nitramines

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F23%3A39920211" target="_blank" >RIV/00216275:25310/23:39920211 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0040603123000631?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0040603123000631?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.tca.2023.179494" target="_blank" >10.1016/j.tca.2023.179494</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Towards the thermal reactivity and behavior of co-agglomerated crystals of DATB and TATB with attractive nitramines

Popis výsledku v původním jazyce

The thermolysis of the co-agglomerates (CACs) of the attractive nitramines RDX, BCHMX, HMX and CL-20 with 1,3-diamino-2,4,6-trinitrobenzene (DATB) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) was studied by means of differential thermal analysis (DTA) and differential scanning calorimetry (DSC), using the Kissinger method for output evaluation. The insertion of both DATB and TATB molecules into nitramine crystal lattices markedly increased the thermal sensitivity of the resulting CACs to overheating. Depression in melting points was detected in all CACs and, with the exception of RDX CACs, also in the exothermic peaks. The RDX CACs differ from the other studied CACs by their decomposition in the liquid state. The activation energies (Ea), obtained correlate with asymmetric N-O stretching vibrations, confirming the important influence of ‒N‒O⋅⋅⋅⋅H‒N= interactions in CACs; a similar correlation with asymmetric NO2 stretching confirms the interactions of DATB and TATB molecules with nitramine molecules through van der Waals forces. The insertion of DATB or TATB into the crystal lattice of HMX or CL20 changes their polymorphic modification from β- to δ- and in the latter case from εto β- modifications in the corresponding CACs. The correlations of the Ea values with the square of detonation velocity as a representative of performance and with the heat of combustion as a representative of the energy content are consistent with already previously described relationships of this type, including exceptions for pure nitramines.

Název v anglickém jazyce

Towards the thermal reactivity and behavior of co-agglomerated crystals of DATB and TATB with attractive nitramines

Popis výsledku anglicky

The thermolysis of the co-agglomerates (CACs) of the attractive nitramines RDX, BCHMX, HMX and CL-20 with 1,3-diamino-2,4,6-trinitrobenzene (DATB) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) was studied by means of differential thermal analysis (DTA) and differential scanning calorimetry (DSC), using the Kissinger method for output evaluation. The insertion of both DATB and TATB molecules into nitramine crystal lattices markedly increased the thermal sensitivity of the resulting CACs to overheating. Depression in melting points was detected in all CACs and, with the exception of RDX CACs, also in the exothermic peaks. The RDX CACs differ from the other studied CACs by their decomposition in the liquid state. The activation energies (Ea), obtained correlate with asymmetric N-O stretching vibrations, confirming the important influence of ‒N‒O⋅⋅⋅⋅H‒N= interactions in CACs; a similar correlation with asymmetric NO2 stretching confirms the interactions of DATB and TATB molecules with nitramine molecules through van der Waals forces. The insertion of DATB or TATB into the crystal lattice of HMX or CL20 changes their polymorphic modification from β- to δ- and in the latter case from εto β- modifications in the corresponding CACs. The correlations of the Ea values with the square of detonation velocity as a representative of performance and with the heat of combustion as a representative of the energy content are consistent with already previously described relationships of this type, including exceptions for pure nitramines.

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

2023

Kód důvěrnosti údajů

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

Název periodika

Thermochimica Acta

ISSN

0040-6031

e-ISSN

1872-762X

Svazek periodika

724

Číslo periodika v rámci svazku

June

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

13

Strana od-do

179494

Kód UT WoS článku

000971743700001

EID výsledku v databázi Scopus

2-s2.0-85151256092