A novel energetic material 2-(5-amino-2H-tetrazol-1-yl)-4-amine-3,5-dinitropyridine (ATDP) was synthesized and characterized by H NMR, C NMR, mass spectroscopy, and elemental analysis. The research by differential scanning calorimetry (DSC) shows that ATDP decomposed about 290 °C. The calculating results of kinetic parameters using Ozawa method, Kissinger method, and Starink method were quite consistent. Self-accelerated decomposition temperature (T), thermal ignition temperature (T), and critical temperature of thermal explosion (T) were 272.55 °C, 121.71 °C, and 137.67 °C, respectively. Geometric optimization, heat of formation, detonation velocity (D), detonation pressure (P), bond dissociation energy (BDE), and electrostatic potential (ESP) were explored using Gaussian 16. The results show that ATDP has a much larger ΔH value than HMX(272.6 kJ mol). The D and P are predicted with the value of 7.50 km s and 24.47 GPa, respectively. The relatively high BDE value (270.77 kJ mol) indicates that ATDP has moderate thermal stability.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1007/s00894-022-05066-2 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Wearable Fluidic Fabric with Excellent Heat Transfer Performance for Sports Recovery.
Adv Sci (Weinh)
January 2025
Research Institute for Intelligent Wearable Systems, School of Fashion and Textiles, The Hong Kong Polytechnic University, Kowloon, 999077, China.
Rapid temperature contrast hydrotherapy by water immersion has been utilized by athletes for effective sports recovery. However, its application at some training or competition venues is limited by high water consumption, bucky size, personal hygiene, and inconvenience. Here, a novel portable system equipped with highly effective, lightweight, and hygienic wearable fluidic fabric device is reported, that replaces direct water immersion.
View Article and Find Full Text PDFCellular Core/Sheath Filaments with Thermoresponsive Vacuum Cavities for Prolonged Passive Temperature-Adaptive Thermoregulation.
Adv Sci (Weinh)
January 2025
School of Fashion and Textiles, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, 999077, China.
Acting as the interface between the human body and its environment, clothing is indispensable in human thermoregulation and even survival under extreme environmental conditions. Development of clothing textiles with prolonged passive temperature-adaptive thermoregulation without external energy consumption is much needed for protection from thermal stress and energy saving, but very challenging. Here, a temperature-adaptive thermoregulation filament (TATF) consisting of thermoresponsive vacuum cavities formed by the temperature-responsive volume change of the material confined in the cellular cores of the filament is proposed.
View Article and Find Full Text PDFElectrolyte chemistry towards ultra-high voltage (4.7 V) and ultra-wide temperature (-30 to 70 °C) LiCoO2 batteries.
Angew Chem Int Ed Engl
January 2025
South China Normal University, Chemistry, 55 W Zhongshan Rd, 510006, Guangzhou, CHINA.
LiCoO2 batteries for 3C electronics demand high charging voltage and wide operating temperature range, which are virtually impossible for existing electrolytes due to aggravated interfacial parasitic reactions and sluggish kinetics. Herein, we report an electrolyte design strategy based on a partially fluorinated ester solvent (i.e.
View Article and Find Full Text PDFQuantitative Estimation of Effective Brønsted Acid Sites of Silica-Supported HSiWO Heteropoly Acid for Adsorption of Various Molecules.
Langmuir
January 2025
Institute for Innovative Research, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503, Japan.
The amount of incorporation of linear alcohols and ethers in HSiWO·6HO (HSiW·6HO, 50 wt %) supported on silica (SiO) was estimated by a conventional volumetric method and infrared (IR) spectroscopy, and the state of involved molecules was elucidated. First, the attribution of the key IR band at 2200 cm, which was observed for the water of crystallization of HSiW·6HO, to HO species (protons) was verified by coincident observation of thermogravimetric-differential thermal analysis, X-ray diffraction (XRD), and IR spectroscopy during thermal treatment in addition to the isotope exchange with DO. The 2200 cm band was gradually decreased in intensity by increasing the amount of adsorption of pyridine and was totally consumed at saturation, while the volumetric method provided the accurate number of included pyridine molecules.
View Article and Find Full Text PDFCancer immunotherapy using engineered cytotoxic effector cells has demonstrated significant potential. The limited spatial complexity of existing models, however, poses a challenge to mechanistic studies attempting to approve existing approaches of effector cell-mediated cytotoxicity within a three-dimensional, solid tumor-like environment. To gain additional experimental control, we developed an approach for constructing three-dimensional (3D) culture models using smart polymers that form temperature responsive hydrogels.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!