JOURNAL OF CHEMICAL THERMODYNAMICS
·
2019
·
IF 2.29
Junjie Chen,Bo Jin,Guan Luo,Huihui Liu,Qingchun Zhang,Qi Huang,Rufang Peng
The thermodynamics and kinetics of the curing reactions between polyglycidyl nitrate (PGN) and toluene diisocyanate, isophorone diisocyanate, and polyaryl polymethylene isocyanate (PAPI) were studied by microcalorimetry. The reaction rate between PGN and PAPI was the fastest among the three reactions above. Three thermodynamics ( i.e. , activation enthalpy, entropy, and free energy), rate constant, and three thermokinetic parameters ( i.e. , activation energy, pre-exponential constant, and reaction order) of the curing reactions were obtained by calculating the results of the reaction between PGN and PAPI at a series of temperature from 303.15 K to 318.15 K. The linear relationship between ln k and the mole ratio of the isocyanate and hydroxyl groups was observed. The corresponding kinetic equation describing the curing reaction between PGN and PAPI was d α /d t = 10 −3.83 (1 − α ) 3.04 at 318.15 K.
研究领域:
高分子化学
·
热力学
·
反应动力学
·
功能材料
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含能材料
✓ 已验证
DOI
高影响因子
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
·
2021
·Vol. 647
·期 6
·681-685
·
IF 1.492
Xieyang Wang,Zhen Dong,Rui Yang,Shengren Zhou,Zhiwen Ye
Two energetic salts of cyclo-N 5 − , O-methylisoure pentazolate ( 1 ) and guanidinoacetic acid pentazolate ( 2 ), were synthesized by metathesis reaction. All the energetic cyclo-N 5 − salts were characterized by single-crystal XRD, IR spectroscopy, 1 H and 13 C multinuclear NMR spectroscopy, thermal analysis (DSC) and elemental analysis. They exhibit good thermal stability with decomposition temperatures of more than 100 °C and they are in excellent agreement with those reported non-metallic salts. Salt 1 also exhibits strong π-π interactions. The standard enthalpies of formation and detonation performances of these salts were calculated using Gaussian 09 and EXPLO5 v6.01 programs. The detonation velocities of compound 1 and 2 are both about 7400 m s −1 and these two salts exhibit low mechanical sensitivity (IS>23 J, FS>220 N). Therefore, in this work, the synthesis of the new pentazolate salts enriches the cyclo-pentazolate salts system, which is conducive to the exploration of more heat-resistant and higher detonation velocities pentazolate salts.
研究领域:
无机化学
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含能材料
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热分析
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结构化学
✓ 已验证
DOI
高影响因子
COMBUSTION AND FLAME
·
2024
·
IF 5.8
Yuxiang Li,Kejuan Meng,Momang Tian,Lei Zhang,Xiaoxia Ma,Kaili Zhang
Metastable intermolecular composites (MICs) typically use Al as fuel and transition metal oxides as oxidizers , while their reactivities are hindered by the inert Al 2 O 3 passivation layer on the surface of Al particles . Recently, transition metal fluorides have emerged as novel fluorine-containing oxidizers for promoting the reactivity of metal fuels through interfacial fluorination of oxide layer . In this work, nanosized CoF 2 and Co 3 O 4 were prepared through pyrolysis of CoF 2 ·4H 2 O precursor using different calcination conditions. To investigate the function of CoF 2 in reaction and the influence of CoF 2 content on reactive performances, a series of MICs composed of n-Al, Co 3 O 4 , and CoF 2 were prepared through ultrasonic dispersion method. Thermal analysis indicated that Al/CoF 2 composite had significantly higher specific heat release (2.30 kJ/g) than that of Al/Co 3 O 4 composite (1.45 kJ/g), and CoF 2 facilitated the occurrence of exothermic reaction at a relatively lower temperature. AlF 3 was found as main reaction products of Al/CoF 2 at 650 °C, and AlF 3 sublimes at the temperature above 850 °C. Although the pressure output and flame intensity of Al/CoF 2 composite is lower than that of Al/Co 3 O 4 composite, hybrid Al/Co 3 O 4 /CoF 2 composites with 20 %–35 % CoF 2 showed significantly enhanced energetic performances compared with sole Al/Co 3 O 4 , suggesting that CoF 2 can function as an effective reaction modifier.
研究领域:
材料科学
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含能材料
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燃烧化学
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纳米材料
✓ 已验证
DOI
高影响因子
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
·
2016
·
IF 4.179
Wen-yuan Zhao,Tong-lai Zhang,Li-nong Zhang,Li Yang,Zun-ning Zhou
A series of 2,4-dihydroxybenzoates {(2,4-DHB) n Ms, M = Pb(II), Cu(II), Fe(III), Ni(II) and Co(II), n = 2 or 3} micro-nano spheres with controllable size and morphology were successfully prepared by spray drying method with water or acetone as a solvent. TEM and SEM illustrated that the (2,4-DHB) n Ms micro-nano spheres had core–shell or solid structure. The formation of the core–shell structure of the samples was interpreted in terms of the mechanism of spray drying. The results of laser particle analyzer revealed that precursor concentration (PC) and particle size distribution (PSD) of the samples were well fitted with power function. The thermal decomposition of ammonium perchlorate (AP) in the presence of the (2,4-DHB) n Ms micro-nano spheres, investigated by differential scanning calorimetry (DSC), showed they effectively lowered the decomposition temperature of AP and exhibited various catalytic performance for AP decomposition.
研究领域:
材料科学
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化学工程
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催化化学
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含能材料
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纳米技术
✓ 已验证
DOI
高影响因子
Science China-Materials
·
2018
·Vol. 62
·期 1
·122-129
·
IF 4.318
Wang Peng-Cheng,Xu Yuan-Gang,Wang Qian,Shao Yan-Li,Lin Qiu-Han,Lu Ming
Coordination to form polymer is emerging as a new technology for modifying or enhancing the properties of the existed energetic substances in energetic materials area. In this work, guanidine cation CN 3 H 6 + (Gu) and 3-amino-1,2,4- triazole C 2 H 4 N 4 (ATz) were crystallized into NaN5 and two novel energetic coordination polymers (CPs), (NaN 5 ) 5 [(CH 6 - N 3 )N 5 ](N 5 ) 3 – (1) and (NaN 5 ) 2 (C 2 H 4 N 4 ) (2) were prepared respectively via a self-assembly process. The crystal structure reveals the co-existence of the chelating pentazole anion and organic component in the solid state. In polymer 1, Na + and N 5 – were coordinated to form a cage structure in which guanidine cation [C(NH 2 ) 3 ] + was trapped; for polymer 2, a mixedligand system was observed; N 5 – and ATz coordinate separately with Na + and form two independent but interweaved nets. In this way, coordination polymer has been successfully utilized to modify specific properties of energetic materials through crystallization. Benefiting from the coordination and weak interactions, the decomposition temperatures of both polymers increase from 111°C (1D structure [Na(H 2 O)(N 5 )] ∙2H 2 O) to 118.4 and 126.5°C respectively. Moreover, no crystallized H 2 O was generated in products to afford the anhydrous compounds of pentazole salts with high heats of formation (>800 kJ mol –1 ). Compared to traditional energetic materials, the advantage in heats of formation is still obvious for the cyclo -N 5 – based CPs, which highlights cyclo -N 5 – as a promising energetic precursor for high energy density materials (HEDMs).
研究领域:
含能材料
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无机化学
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配位聚合物化学
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材料科学
✓ 已验证
DOI
高影响因子
ACS Omega
·
2023
·
IF 4.1
Long Liu,Jinhu Bai,Ze Su,Yuan Yao,Zhixiang Zhou,Yangfeng Xia,Yanqiang Zhang
In this paper, a series of energetic ionic liquid plasticizers of 1-methyl-4-methoxyethyl-1,2,4-triazolium chloride (1), 1-methyl-4-methoxyethyl-1,2,4-triazolium bis(trifluoromethylsulfonyl)imide (1a), 1-methyl-4-methoxyethyl-1,2,4-triazolium nitrate (1b), 1-methyl-4-ethyl acetate-1,2,4-triazolium chloride (2), 1-methyl-4-ethyl acetate-1,2,4-triazolium bis(trifluoromethylsulfonyl)imide (2a), and 1-methyl-4-ethyl acetate-1,2,4-triazolium nitrate (2b) were synthesized and characterized. The results show that compounds 1a, 1b, 2a, and 2b have lower melting points (Tm, −72.60 to −32.67 °C) and good thermal stability (Td, 161–348 °C) and are suitable as plasticizers for hydroxyl-terminated polybutadiene (HTPB) curing systems. Among these four ionic liquids, ester-functionalized cations can help to improve the tensile strength (2a, 0.943 MPa; 2b, 1.113 MPa) of the cured system, while ether-functionalized cations are more beneficial to improve elongation at break (1a, 522.90%; 1b, 484.45%). Ester-functionalized ionic liquids are more beneficial to reduce the glass transition temperature of HTPB elastomers. The storage modulus of HTPB elastomers containing NO3– is higher, while that of HTPB elastomers containing NTf2– is lower. The crosslink densities of HTPB/TDI/2a and HTPB/TDI/2b plasticized by ester-functionalized ionic liquids are larger, which are 9369 and 9616 mol/m3, respectively. There are hydrogen bond interactions between the ionic liquid and the HTPB elastomer, and these interactions changed the distribution of the hard and soft segments in the polymer molecules.
研究领域:
含能材料
·
高分子科学
·
推进剂化学
·
材料工程
✓ 已验证
DOI
高影响因子
POLYMER TESTING
·
2018
·
IF 2.247
Jingjing Tao,Bo Jin,Rufang Peng,Shijin Chu
Microcalorimetry was used to monitor the heat flow of the curing reaction between glycidyl azido polymer (GAP) and various isocyanate curatives. The curing kinetics was investigated in the temperature range 308.15–323.15 K, and the activation energy , activation free energy , activation enthalpy , and activation entropy of the curing reaction between GAP and polyaryl polymethylene isocyanate (PAPI) were obtained. The thermodynamic properties of the reaction were also studied by varying the amount of PAPI at 323.15 K. The rate constant slightly increased with the increasing content of PAPI. Moreover, a model function of da/d t = 10 −4.30 (1-a) 1.62 was applied to describe the curing reaction of the GAP-PAPI binder system at 323.15 K.
研究领域:
高分子化学
·
材料科学
·
热分析
·
固化动力学
·
含能材料
✓ 已验证
DOI
高影响因子
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
·
2017
·
IF 3.471
Jing Zhou,Li Ding,Fuqiang Bi,Bozhou Wang,Junlin Zhang
5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) (TKX-55) was synthesized through an oxidation-chloridization-condensation-cyclization sequence. Thermal decomposition behavior and non-isothermal decomposition reaction kinetics of TKX-55 were investigated by the differential scanning calorimetry and thermogravimetric analysis (DSC-TG) methods The research of decomposition mechanism of the molecule was further carried out through in-situ FTIR spectroscopy technologies. The experiment results showed that the enlarged conjugated system has a marked effect on the thermal stability and the picryl moiety is much more stable than the 1,3,4-oxadiazole moiety during the heat-up process, indicating that the decomposition process is mostly likely to initiate from the ring-opening reaction of 1,3,4-oxadiazole moiety which is supported by the computational scanning result of potential energy surface.
研究领域:
含能材料
·
热分析
·
物理化学
·
炸药化学
·
反应动力学
✓ 已验证
DOI
高影响因子
ACS Applied Materials & Interfaces
·
2013
·
IF 5.008
Wenchao Zhang,Baoqing Yin,Ruiqi Shen,Jiahai Ye,Jason A. Thomas,Yimin Chao
A three-dimensionally ordered macroporous Fe2O3/Al nanothermite membrane has been prepared with a polystyrene spheres template. The nanothermite, with an enhanced interfacial contact between fuel and oxidizer, outputs 2.83 kJ g–1 of energy. This is significantly more than has been reported before. This approach, fully compatible with MEMS technology, provides an efficient way to produce micrometer thick three-dimensionally ordered nanostructured thermite films with overall spatial uniformity. These exciting achievements will greatly facilitate potential for the future development of applications of nanothermites.
研究领域:
材料科学
·
纳米技术
·
含能材料
·
微机电系统（MEMS）
✓ 已验证
DOI
高影响因子
ACS Omega
·
2022
·
IF 4.132
Bin Yuan,Yu Zhang,Ke-xin Wang,Tian-ping Wang,Yan Li,Shun-guan Zhu,Lin Zhang,Zhen-xin Yi,Hua Guan,Chen-guang Zhu
The energetic performance of hexanitrohexaazaisowurtzitane (CL-20) was modulated with two energetic coordination polymers (ECPs), [Cu(ANQ)2(NO3)2] and [Ni(CHZ)3](ClO4)2, in this study by a two-step method. First, tannic acid polymerized in situ on the surface of CL-20 crystals. Then, [Cu(ANQ)2(NO3)2] and [Ni(CHZ)3](ClO4)2 were hydrothermally formed on the surface of CL-20/TA, respectively. Explosion performance tests show that the impact sensitivity of the coated structure CL-20/TA/[Cu(ANQ)2(NO3)2] is 58% less than that of CL-20 with no energy decrease. On the other hand, CL-20/TA/[Ni(CHZ)3](ClO4)2 can be initiated by a low laser energy of 107.3 mJ (Nd:YAG, 1064 nm, 6.5 ns pulse width), whereas CL-20 cannot be initiated by even 4000 mJ laser energy. This study shows that it is feasible to modify the performance of CL-20 by introducing energetic CPs with certain properties, like high energy insensitive, laser-sensitive, etc., which could be a prospective method for designing high energy insensitive energetic materials in the future.
研究领域:
含能材料
·
材料化学
·
火炸药工程
✓ 已验证
DOI
高影响因子
PROPELLANTS EXPLOSIVES PYROTECHNICS
·
2017
·Vol. 42
·期 9
·1057-1065
·
IF 1.908
Tao Liu,Chengzhen Geng,Baohui Zheng,Shangbin Li,Guan Luo
To improve the safety of cyclotetramethylenetetranitramine (HMX) particles, a novel strategy was developed for the fabrication of graphene oxide encapsulated HMX (HMX@GO) by electrostatic self-assembly between graphene oxide and HMX particles. The prepared samples were characterized by optical microscopy, scanning electron microscopy, Raman spectroscopy, X-ray photon spectroscopy, thermogravimetry, differential scanning calorimetry and water contact angle tests. The results revealed that GO sheets were coated densely and homogeneously on the HMX particles in a HMX@GO composite at a low GO content of about 0.23 wt %. Compared with that of raw HMX, the impact sensitivity of the HMX@GO composite decreased from 100 % to 30 %, and the 50 % probability of required ignition energy (E 50 ) in the electrostatic spark sensitivity test increased from 0.66 J for HMX to 1.12 J for the HMX@GO composite, suggesting that the electrostatically self-assembled GO coating layer could obviously enhance the safety of HMX.
研究领域:
材料科学
·
含能材料
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纳米复合材料
·
安全工程
✓ 已验证
DOI
高影响因子
ACS Applied Materials & Interfaces
·
2019
·
IF 8.456
Tingwei Wang,Qi Zhang,Hu Deng,Liping Shang,Dong Chen,Yan Li,Shunguan Zhu,Hongzhen Li
An effective and novel design strategy for ultrafast laser-initiating materials has been established on the basis of coordination chemistry for the first time in the present work. In view of the positive effect of Ag ion and perchlorate on laser sensitivity, silver perchlorate as a representative of oxidizing inorganic metal salts was used to construct energetic cationic coordination polymers (ECCPs), which solved the inconvenient situation caused by the difficulty in applying these salts directly in energetic materials because of the unavoidable hygroscopicity and the inhomogeneity of physical mixtures of oxidants and reductants. With the nonenergetic nitrogen-rich ligand 3-amino-1H-1,2,4-triazole-5-carbohydrazide (ATCA), one new laser-sensitive Ag(I)-based ECCP [Ag(ATCA)ClO4]n (1) was successfully synthesized with a compact helical structure proved by X-ray single-diffraction crystal data. The physicochemical property evaluation revealed that this Ag-ECCP was not only completely devoid of the undesirable properties of the silver perchlorate and displayed excellent tolerance to moisture and noncorrosive properties to metal shells, but was also endowed with good thermal stability and excellent safety for mechanical stimulation. Moreover, theoretical calculations based on the standard molar enthalpy of formation and the lead plate explosive test as the actual damage experiment have proved that the compound has a superior detonation performance (up to 6800 m s–1 and 0.511 kcal g–1) compared to the traditional primary explosives. More importantly, the laser-initiation-experiment-based femtosecond laser-testing system and high-speed photography demonstrated that this ECCP was an energetic material with great potential for application in the safety detonator as an ultrafast photosensitive initiating material for laser direct initiation, whose initiation delay time is as low as 73 ms using only 200 mJ initiation energy.
研究领域:
材料化学
·
含能材料
·
配位聚合物化学
·
激光起爆技术
·
炸药工程
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）