Combustion Behaviour of Melt‐Castable Explosives from Azetidine Family

Thermal decomposition of melted 3,4‐bis(3‐nitrofurazan‐4‐yl)furoxan (DNTF) in isothermal conditions was studied. The burning rates of DNTF were measured in the pressure interval of 0.1–15 MPa. The thermal stability of DNTF was found to be close to the stability of HMX, while the burning rate of DNTF was close to the burning rate of CL‐20. The thermocouple measurements in the combustion wave of DNTF showed that combustion of DNTF was controlled by the gas‐phase mechanism. The DNTF vapor pressure was determined from thermocouple measurements and agreed well with data obtained at low temperatures under isothermal conditions.

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“…320 °C; above this temperature its volatility is less. Compared with TNAZ 29 the vapor pressure above liquid DNTF is 3–7 times lower.…”

Section: Resultsmentioning

confidence: 87%

Thermal and Combustion Properties of 3,4‐Bis(3‐nitrofurazan‐4‐yl)furoxan (DNTF)

Sinditskii

Burzhava

Sheremetev

et al. 2012

Propellants Explo Pyrotec

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“…As can be seen from Figure 4, the vapor pressure of 3 b is higher than the vapor pressure of the low-melting explosive dinitrobisfurazanylfuroxan (DNTF) [2b], but more than half the vapor pressure over liquid trinitroazetidine (TNAZ), which was also considered a low-melting explosive, but had a high pressure vapor [27,28]. A calculation using the obtained dependence shows that at 100 °C the vapor pressure above liquid TNAZ is 120 Pa, while the vapor pressure above 3 b is 60 Pa.…”

Section: Vapor Pressurementioning

confidence: 99%

Monosubstituted Polynitroalkoxy‐1,2,4,5‐Tetrazines: A New Family of Melt‐Castable Energetic Materials

Rudakov

Kalinichenko

Nguyen

et al. 2021

Propellants Explo Pyrotec

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Several new energetic low-melting monosubstituted polynitroalkoxy-1,2,4,5-tetrazines have been synthesized. Their thermal stability has been investigated by the methods of isothermal and non-isothermal kinetics. These molecules display good thermal stability: trinitroethoxytetrazine can be safely kept in the molten state for about a week, dinitro-fluoroethoxy derivative is significantly more stable. The volatility of the studied compounds increases in the series of substituents asThe vapor pressure over the liquid fluorine derivative turned out to be 2 times less than the vapor pressure over the liquid trinitroazetidine (TNAZ). The combustion rates of synthesized low-melting explosives of the tetrazine series, as well as other volatiles like TNT, are controlled by reactions in the flame (gas-phase combustion mechanism). It was shown that trinitro and fluorodinitro derivatives most fully meet the requirements for the melt-castable explosives.

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“…Moiety modification and moiety integration exemplify two approaches for synthesizing energetic azetidines. The former approach involves adding explosophores to the azetidine moiety, whereas the latter involves the union between a modified energetic azetidine moiety and an existing energetic chemical system. − ,− Energetic 3,3-dinitroazetidine (DNAZ), 3-nitrato-1-nitroazeditine (NNA), 1,3,3-trinitroazetidine (TNAZ), and nitroimine azetidine (NIA) illustrate examples of moiety modification (Figure ). The crystal structure of DNAZ presents two nitro groups attached to the azetidine ring carbon atom, whereas NNA presents a nitro group attached to the azetidine ring nitrogen atom and a nitrato group (−O–NO 2 ) attached to the carbon atom opposite the nitrogen atom. , In contrast, the crystal structure of TNAZ reveals a nitro group attached to the azetidine nitrogen atom in addition to a pair of nearly perpendicular nitro groups (–NO 2 ) attached to the carbon atom opposite the nitro amino ring atom.…”

Section: Introductionmentioning

confidence: 99%

Mechanical Properties and Temperature and Pressure Effects on the Crystal Structure of (2S,3S,4R)-2,3,4-(Trinitratomethyl)-1-nitroazetidine (TMNA) by Single-Crystal X-ray Diffractometry and Density Functional Theory

Sausa,

Batyrev

2024

J. Phys. Chem. C

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Knowledge of how crystalline materials react to external stimuli such as temperature, pressure, and stress is crucial for their screening, modification, and potential use. Here, we reveal and discuss the crystal structure of recently synthesized (2S,3S,4R)-2,3,4-(trinitratomethyl)-1-nitroazetidine [C 6 H 9 N 5 O 11 , (TMNA)] obtained by single-crystal X-ray diffractometry and calculated by solid-phase density functional theory (DFT) with the CASTEP code using Perdew−Burke− Ernzerhof functional optimized with the Grimme dispersion correction. We report the effects of temperature and pressure on the structure and unit cell lattice parameters in the range between 0 and 325 K and ambient pressure and 10 GPa. TMNA presents a nitroazetidine moiety with three ethyl nitric ester groups, each bonded to one of the three carbon ring atoms, and belongs to the monoclinic crystal system, space group P2 1 /c. The ambient temperature and pressure structure remain stable in the temperature and pressure ranges studied and exhibit both anisotropic thermal expansion and pressure contraction. Thermal isobaric expansion results in a soft expansion along the c-crystallographic axis and a hard expansion along the b-axis (c > a > b), with a measured volume thermal expansion coefficient of 174 (8) MK −1 , compared to our DFT estimated value of 236 MK −1 . Pressure compression calculations under isotropic and isothermal conditions reveal a volume contraction of approximately 25% with the unit cell c lattice shortening by approximately 50% less than the a and b lattices (c < b ≅ a). A Birch−Murnaghan equation-ofstate fit of the data yields bulk modulus and pressure derivative values of 10.5 (1) GPa and 7.0 (1), respectively. Finite strain DFT calculations yield the elastic constants of TMNA, which we employ to derive its bulk and shear modulus values of 9.96 and 4.94 GPa, respectively. TMNA presents linear compressibility values of approximately 37, 40, and 23TPa −1 along the [100], [010], and [001] directions, respectively. The compressibility values obtained from the elastic constants agree with those derived by fitting the high−pressure data, ensuring model consistency. We compare our TMNA results to those reported for nitrotoluene and other azetidines.

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Combustion Behaviour of Melt‐Castable Explosives from Azetidine Family

Cited by 10 publications

References 13 publications

Thermal and Combustion Properties of 3,4‐Bis(3‐nitrofurazan‐4‐yl)furoxan (DNTF)

Thermal and Combustion Properties of 3,4‐Bis(3‐nitrofurazan‐4‐yl)furoxan (DNTF)

Monosubstituted Polynitroalkoxy‐1,2,4,5‐Tetrazines: A New Family of Melt‐Castable Energetic Materials

Mechanical Properties and Temperature and Pressure Effects on the Crystal Structure of (2S,3S,4R)-2,3,4-(Trinitratomethyl)-1-nitroazetidine (TMNA) by Single-Crystal X-ray Diffractometry and Density Functional Theory

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