The constant-volume combustion energy, DeltacU (DNTF, s, 298.15K) and kinetic behavior of the exothermic decomposition reaction of the title compound (DNTF) are determined by a precise rotating bomb calorimeter and DSC, respectively. Its standard enthalpy of combustion, DeltacHmtheta (DNTF, s, 298.15K), standard enthalpy of formation, DeltacHmtheta (DNTF, s, 298.15K) and kinetic parameters of the major exothermic decomposition reaction in a temperature-programmed mode [the apparent activation energy (Ea) and pre-exponential factor (A)] are calculated. The values of DeltacU (DNTF, s, 298.15K), DeltacHmtheta (DNTF, s, 298.15K), and DeltacHmtheta (DNTF, s, 298.15K) of DNTF are -9733.96 +/- 8.59 Jg(-1), -3018.29 +/- 2.68 kJ mol(-1), and 657.23 +/- 2.70 kJ mol(-1), respectively. The kinetic model function in integral form and the value of E(a) and A of the major exothermic decomposition reaction of DNTF are 1-(1-alpha)1/3, 177.03 kJ mol(-1) and 10(13.68)s(-1), respectively. The critical temperature of thermal explosion of DNTF is 240.6 degrees C.
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http://dx.doi.org/10.1016/j.jhazmat.2004.07.009 | DOI Listing |
To modify the sensitivity and melting point of the casting of DNTF, a eutectic system of insensitive explosive 3,5,5-trinitro-1,3-oxazinane (TNTON) and DNTF was prepared through a new method. The melting and liquefaction processes of TNTON/DNTF at different ratios were investigated, and a phase diagram was established. The melting and decomposition processes of TNTON, DNTF, and TNTON/DNTF eutectic at different heating rates were compared, while the sensitivity tests were conducted to study the desensitizing effect of TNTON on DNTF.
View Article and Find Full Text PDFMolecules
August 2024
School of Environmental and Safety Engineering, North University of China, Taiyuan 030051, China.
3,4-bis(3-nitrofurazan-4-yl) furoxan (DNTF) is an explosive with excellent performance, and the use of DNTF as a high-energy component is of great significance for improving the comprehensive performance of weapons. To explore the effect of DNTF on low-melting-point molten carrier explosives, the compatibility between DNTF and other low-melting-point explosives was analyzed by differential scanning calorimetry, and mechanical sensitivity was tested. The compatibility and cohesive energy density between DNTF and other low-melting-point explosives were calculated by Materials Studio.
View Article and Find Full Text PDFJ Mol Model
July 2024
School of Safety Science and Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
J Chem Phys
May 2024
The Second Department, Xi'an Modern Chemistry Research Institute, Xi'an, Shaanxi 710065, China.
3,4-bis(3-nitrofurazan-4-yl) furoxan (DNTF) is one of the third-generation energetic compounds with excellent comprehensive properties, which can be added to polymer bonded explosive (PBX) to improve energy levels and regulate sensitivity, so the compatibility of DNTF with other components in PBX, especially the binder, is the first question. Herein, two typical hydrocarbon polymers commonly used in PBX, which are hydroxyl-terminated polybutadiene (HTPB) and polyisobutylene (PIB), were selected as the binder, and the compatibility of HTPB and PIB with DNTF was investigated by differential scanning calorimetry (DSC), the vacuum stability test (VST), and in situ infrared spectroscopy (in situ IR). The results of compatibility experiments were verified by using the binding energy and solubility parameter criteria in molecular dynamics (MD).
View Article and Find Full Text PDFPhys Chem Chem Phys
March 2024
High-Tech Institute of Xi'an, Xi'an 710025, China.
3,4-Bis(3-nitrofurazan-4-yl)furoxan (DNTF) is a novel energetic material with an excellent performance and has attracted considerable attention. Motivated by recent theories and experiments, we had carried out experimental and theoretical studies on the high-pressure responses of vibrational characteristics, in conjunction with structural and electronic characteristics. It is found that all observed infrared spectra peaks seem to shift towards higher frequencies.
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