INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2025
·
IF 8.5
Zhiqiang Wang,Yi Wang,Xu Zhou,Yaru Sun,Dezhou Guo,Jinjiang Xu
The enhancement of energy release and safety performance is of great significance to the energetic crystal 3-nitro-1,2,4-triazol-5-one (NTO). However, the practical utilization of NTO has been hindered by several critical challenges, including slow energy release kinetics, high decomposition temperatures, and poor safety performance. The physical cross-linked network polyelectrolyte κ-carrageenan (KC)/chitosan (CTS)/NTO composites were prepared by acidified sol-gel conversion method to improve the physical and chemical properties and performance characteristics of NTO. Through the characterization and analysis of the morphology and structure of the samples, it was observed that the KC/CTS/NTO composites did not undergo polymorphic transformation during the preparation process. At the same time, the experimental data reveal that the physically crosslinked polymeric matrix spontaneously assembled by KC and CTS effectively lowers the onset thermal decomposition temperature and activation energy of NTO, while concurrently enhancing its energy release kinetics. Notably, KC and CTS exhibit a dual-action mechanism: synergistically mitigating NTO's corrosive properties and elevating its insensitivity threshold, thereby establishing excellent safety performance. These findings collectively validate the potential of this synergistic composite strategy for broader applications in advanced energetic material systems.
研究领域:
材料科学
·
化学工程
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CORROSION SCIENCE
·
2024
·
IF 7.4
Ziyang Guo,Liyuan Qin,Haoming Zou,Xiao Ma,Dongliang Wang,Yansong Shi,Xijuan Lv,Yujie Qiang,Wei Guo,Qinghai Shu
This study investigates the corrosion mechanism of carbon steel (CS) induced by high-energy density materials (HEDMs), NTO and AP. CS exhibited corrosion rates of 1.314 mm/y and 8.690 mm/y when exposed to NTO and AP powders, respectively. However, these rates shifted to 9.050 mm/y for NTO and 3.597 mm/y for AP in solution. Experiments combining grand canonical Monte Carlo (GCMC) and ab initio molecular dynamics (AIMD) simulations demonstrate AP’s greater susceptibility to hygroscopicity, establishing a corrosive environment. CS maintains an unabated corrosion rate as Cl - from AP reduction damages corrosion products. Conversely, NTO’s compact corrosion products effectively delay CS corrosion.
研究领域:
材料科学
·
腐蚀科学
·
计算化学
✓ 已验证
产品关联
DOI
高影响因子
APPLIED SURFACE SCIENCE
·
2025
·
IF 6.9
Zhiqiang Wang,Xu Zhou,Tian Ma,Jinjiang Xu
A novel 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) based energetic composite material was synthesized. With ultrafine NTO as the shell, the sensitivity of HMX was reduced and the thermal stability was enhanced while ensuring the detonation performance. In addition, biomass κ-carrageenan (KC) and chitosan (CTS) were used as coatings to synergistically improve the interfacial interaction of energetic materials and promote the energy release efficiency of HMX. Specifically, HMX/KC-CTS/NTO composites increase the β-δ phase transition temperature of HMX by 13.3 °C. The overall combustion rate of HMX/KC-CTS/NTO increased by 23.3 %, the maximum flame combustion rate increased by 62.7 %, and the combustion area increased by 228.9 %. Compared with HMX (IS = 6J, FS = 100 N), the impact sensitivity of HMX/KC-CTS/NTO (IS = 15 J, FS = 260 N) is significantly reduced due to the perfect and dense ultrafine-NTO coating on the surface of HMX particles. Finally, the formation mechanism of HMX/KC-CTS/NTO composites was revealed by DFT calculation.
研究领域:
材料科学
·
爆炸化学
·
界面工程
✓ 已验证
产品关联
DOI
高影响因子
NEW JOURNAL OF CHEMISTRY
·
2022
·Vol. 46
·期 19
·9389-9396
·
IF 3.925
Yuanyuan Yao,Dongze Li,Shaohua Jin,Zifeng Wang,Dongxu Wang,Qinghai Shu
Strong corrosiveness to metals is the main factor restricting the widespread application of the insensitive explosive 3-nitro-1,2,4-triazole-5-one (NTO). Herein, MXene rich in active functional groups was obtained by selective etching of Ti3AlC2, and fine-grained MXene/NTO composites with rod-like morphology were prepared by recrystallization. The incorporation of MXene not only significantly reduced the particle size of explosives from 25 to 8 μm, but also weakened the impact sensitivity from 32% to 20% and friction sensitivity from 28% to 16%. Meanwhile, the enhanced corrosion resistance and thermal stability of the resulting NTO/MXene composites benefited from the introduction of MXene. The corrosiveness of NTO aqueous solution to metals was due to the easy ionization of hydrogen in the molecular structure, MXene with active groups combined with hydrogen atoms in NTO by non-covalent bonds, resulting in difficult hydrogen ionization and corrosion resistance without changing the chemical properties of explosives. The good thermal conductivity of MXene endowed NTO with improved thermal stability and promoted the crystallization of NTO as a nucleating agent. These insensitive explosives with good comprehensive properties would be the mainstay of the upgrading of weapons and equipment.
研究领域:
材料科学
·
炸药工程
·
化学
✓ 已验证
产品关联
DOI
高影响因子
Analytical Methods
·
2020
·Vol. 12
·期 33
·4123-4129
·
IF 2.596
Wei Liu,Zihao Song,Yifan Zhao,Yu Liu,Xuan He,Sheng Cui
Sensitive and reliable methods for explosives detection are of significance in homeland security due to the serious threats of explosives in terrorist attack events. However, such suitable sensors are still rare. Herein, porous silica aerogels decorated with silver nanoparticles (SiO2–Ag hybrids) were prepared and applied as a flexible SERS substrate for ultrasensitive explosives detection. It is worth noting that the silica aerogel we prepared had good flexibility compared with traditional silica aerogels, which effectively avoided structural damage during sample collection. Also, because of excellent adsorption performance provided by the silica aerogel, trace explosive 3-nitro-1,2,4-triazol-5-one (NTO) could be enriched and realized by label-free detection. Combined with the plasma enhancement provided by Ag NPs decorated around these porous aerogels, the limit of detection for explosive NTO was as low as 7.94 × 10−10 M. As far as we know, this SiO2–Ag hybrid SERS substrate was firstly used for the detection of explosives. It presented good sensitivity and reproducibility for analyte sensing. Most importantly, this is a label-free method for trace explosives detection and has a good application prospect in homeland security.
研究领域:
材料科学
·
分析化学
·
公共安全
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CRYSTENGCOMM
·
2024
·Vol. 26
·期 26
·3501-3508
·
IF 2.6
Manman Wang,Xing Zhang,Zifeng Wang,Dongze Li,Shusen Chen,Qinghai Shu
3-Nitro-1,2,4-triazole-5-one (NTO) has received wide attention and has applications owing to its excellent detonation performance and low sensitivity. A new crystal form of NTO was prepared via the solvent evaporation method and named γ-NTO. Its crystal properties were studied through single-crystal X-ray diffraction, and the results indicated that the unit cell of γ-NTO belongs to the monoclinic space group Pc, with eight molecules in the single unit cell. The density of this crystal is calculated to be 1.907 g cm−3, which is higher than that of β-NTO and similar to that of α-NTO. The crystal morphology was calculated to be a polygonal shape with a symmetrical growth pattern using the reactive force field. Based on the analysis of reactive molecular dynamics, the thermal decomposition mechanism of different crystal forms of NTO was elucidated, and the results showed that γ-NTO demonstrates higher gas production, providing a successful way to enhance detonation performance. The results of IR and differential thermal analysis (DTA) support the above conclusions.
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
高影响因子
Defence Technology
·
2025
·
IF 5.9
Zhe Zhang,Zhuowei Sun,Haoming Zou,Xijuan Lv,Ziyang Guo,Shuai Zhao,Qinghai Shu
3-Nitro-1,2,4-triazol-5-one (NTO) is a typical high-energy, low-sensitivity explosive, and accurate concentration monitoring is critical for crystallization process control. In this study, a high-precision quantitative analytical model for NTO concentration in ethanol solutions was developed by integrating real-time ATR-FTIR spectroscopy with chemometric and machine learning techniques. Dynamic spectral data were obtained by designing multi-concentration gradient heating-cooling cycle experiments, abnormal samples were eliminated using the isolation forest algorithm, and the effects of various preprocessing methods on model performance were systematically evaluated. The results show that partial least squares regression (PLSR) exhibits superior generalization ability compared to other models. Vibrational bands corresponding to C=O and –NO 2 were identified as key predictors for concentration estimation. This work provides an efficient and reliable solution for real-time concentration monitoring during NTO crystallization and holds significant potential for process analytical applications in energetic material manufacturing.
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）