Pub Date : 2023-11-03DOI: 10.1080/07370652.2023.2275192
Ning Liu, Yang-Ying Li, Wen-Tao Hu
ABSTRACTResearch on CL-20-based aluminized explosives formulation and equipment application shows a critical research avenue. When these explosives are damaged, it affects safety, detonation stability, and reliability, which, in turn, impacts weapon system longevity, safety, and combat effectiveness. However, only some studies have explored the mechanical properties due to their complexity. This paper improves the existing models based on experimental data and a modified genetic algorithm. We obtain a more generalized description of theoretical equations, considering the strain-rate effect, which can better match macro-scale experimental results. Then, we compare laboratory and numerical experiments to investigate the static and dynamic characteristics at the mesoscale. As the theory of sound predicted, the distribution characteristics of stress, plastic strain, and density align with stress wave paths. Notably, local maxima approximately correlate with strain rate and compression effects. Boundary conditions also matter, which researchers should consider during practical engineering verification and application to avoid misleading conclusions.KEYWORDS: CL-20-based aluminized explosiveslaboratory and numerical experiment studiesmechanical properties at the macro- and meso-scalestatic and dynamic characteristics AcknowledgmentsThis work was financially supported by the National Natural Science Foundation of China (Grant No. 41804134) and the Fundamental Research Funds for the Central Universities of China (Grant No. buctrc 202202). We also would like to thank the editors and the anonymous reviewers for their insightful feedback.Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingThe work was supported by National Natural Science Foundation of China [41804134]; Fundamental Research Funds for the Central Universities of China [buctrc202202].
{"title":"Static and dynamic characteristics of CL-20-based aluminized explosives: laboratory and numerical experiments","authors":"Ning Liu, Yang-Ying Li, Wen-Tao Hu","doi":"10.1080/07370652.2023.2275192","DOIUrl":"https://doi.org/10.1080/07370652.2023.2275192","url":null,"abstract":"ABSTRACTResearch on CL-20-based aluminized explosives formulation and equipment application shows a critical research avenue. When these explosives are damaged, it affects safety, detonation stability, and reliability, which, in turn, impacts weapon system longevity, safety, and combat effectiveness. However, only some studies have explored the mechanical properties due to their complexity. This paper improves the existing models based on experimental data and a modified genetic algorithm. We obtain a more generalized description of theoretical equations, considering the strain-rate effect, which can better match macro-scale experimental results. Then, we compare laboratory and numerical experiments to investigate the static and dynamic characteristics at the mesoscale. As the theory of sound predicted, the distribution characteristics of stress, plastic strain, and density align with stress wave paths. Notably, local maxima approximately correlate with strain rate and compression effects. Boundary conditions also matter, which researchers should consider during practical engineering verification and application to avoid misleading conclusions.KEYWORDS: CL-20-based aluminized explosiveslaboratory and numerical experiment studiesmechanical properties at the macro- and meso-scalestatic and dynamic characteristics AcknowledgmentsThis work was financially supported by the National Natural Science Foundation of China (Grant No. 41804134) and the Fundamental Research Funds for the Central Universities of China (Grant No. buctrc 202202). We also would like to thank the editors and the anonymous reviewers for their insightful feedback.Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingThe work was supported by National Natural Science Foundation of China [41804134]; Fundamental Research Funds for the Central Universities of China [buctrc202202].","PeriodicalId":15754,"journal":{"name":"Journal of Energetic Materials","volume":"68 9","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135869008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ABSTRACTThe cook-off tests and numerical simulations were carried out on the HMX-based PBX to study the influence of binder content on the cook-off response characteristics of PBX. The temperature change history of the powder column was obtained, and the change in temperature due to crystal transformation was observed. The response temperature of the column was obtained. In addition, the results showed that the response temperature of the PBX decreased with the increase of the binder content. Under the same binder content, the damage to a slow cook-off bomb was higher than that of a fast cook-off bomb. In the fast cook-off test, the cook-off response temperature of the HMX-based PBX was 310.3 ℃~322.5 ℃ The critical Estane content when the response grade was combustion was 5%. Under the slow cook-off conditions, the response temperature was 260.8 ℃ ~278.6 ℃. The critical Estane content when the response grade was combustion was 7%. Numerical simulation results proved that adding binder would cause a temperature drop due to the crystal transformation. The higher the binder content, the more noticeable this phenomenon was. The maximum error between the numerical simulation and the test results did not exceed 6.5%. KEYWORDS: Binder contentcook-off testscrystal transformationHMX-based PBXnumerical simulation Disclosure StatementNo potential conflict of interest was reported by the author(s).Additional informationFundingThe authors would like to acknowledge [Shanxi Science and Technology Department] grant number [20210302124210] to provide funds for conducting experiments.
{"title":"Study on the effect of binder content on the cook-off response characteristics of HMX-based PBX","authors":"Bing-Xv Qiao, Zeng-You Liang, Tong-Tong Zhou, Hao-Qiang Gao, Xiao-Ru Ji, Chao-Hui Tong","doi":"10.1080/07370652.2023.2275203","DOIUrl":"https://doi.org/10.1080/07370652.2023.2275203","url":null,"abstract":"ABSTRACTThe cook-off tests and numerical simulations were carried out on the HMX-based PBX to study the influence of binder content on the cook-off response characteristics of PBX. The temperature change history of the powder column was obtained, and the change in temperature due to crystal transformation was observed. The response temperature of the column was obtained. In addition, the results showed that the response temperature of the PBX decreased with the increase of the binder content. Under the same binder content, the damage to a slow cook-off bomb was higher than that of a fast cook-off bomb. In the fast cook-off test, the cook-off response temperature of the HMX-based PBX was 310.3 ℃~322.5 ℃ The critical Estane content when the response grade was combustion was 5%. Under the slow cook-off conditions, the response temperature was 260.8 ℃ ~278.6 ℃. The critical Estane content when the response grade was combustion was 7%. Numerical simulation results proved that adding binder would cause a temperature drop due to the crystal transformation. The higher the binder content, the more noticeable this phenomenon was. The maximum error between the numerical simulation and the test results did not exceed 6.5%. KEYWORDS: Binder contentcook-off testscrystal transformationHMX-based PBXnumerical simulation Disclosure StatementNo potential conflict of interest was reported by the author(s).Additional informationFundingThe authors would like to acknowledge [Shanxi Science and Technology Department] grant number [20210302124210] to provide funds for conducting experiments.","PeriodicalId":15754,"journal":{"name":"Journal of Energetic Materials","volume":"39 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135272122","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-31DOI: 10.1080/07370652.2023.2268077
Qian Liu, Wenhuan Jiang, Yu Liu, Quntao Huang, Shengyu Guo, Yongmei Wei, Jianping Wu, Fei Zhang, Pu Zhang, Chongwei An
ABSTRACTSolubility prediction and intermolecular interaction of four explosives (1,3,5-Trinitroperhydro-1,3,5-triazine,ε‑2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaiso-wurtzitane, 3-Nitro-1,2,4-triazolin-5-one，3,4-dinitro-1 H-pyrazole) are researched by the Conductor-like Screening Model – Realistic solvents (COSMO-RS). The results show that the study of σ-surface and σ-profile can qualitatively analyze the potential mechanism of the dissolution behavior of four explosives in the studied solvents. COSMO-RS can accurately predict the solubility of four explosives in the studied solvents, but some of the predicted solubility is different from the experimental solubility, and the deviation between the predicted solubility and the experimental solubility was analyzed. The molecular interaction energy between explosive molecules and solvent partially reveals the internal mechanism of the dissolution of explosives, however, the solvation of the four explosives is a complex process that requires the synthesis of various molecular interactions. This has a great effect on the study of solvation of explosives, and it is of great significance for solvent screening of other explosives molecules.KEYWORDS: COSMO-RSexplosivesintermolecular interaction energysolubility Disclosure statementNo potential conflict of interest was reported by the author(s).
{"title":"Solubility prediction and intermolecular interaction energies of four explosives in the studied solvents at different temperatures","authors":"Qian Liu, Wenhuan Jiang, Yu Liu, Quntao Huang, Shengyu Guo, Yongmei Wei, Jianping Wu, Fei Zhang, Pu Zhang, Chongwei An","doi":"10.1080/07370652.2023.2268077","DOIUrl":"https://doi.org/10.1080/07370652.2023.2268077","url":null,"abstract":"ABSTRACTSolubility prediction and intermolecular interaction of four explosives (1,3,5-Trinitroperhydro-1,3,5-triazine,ε‑2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaiso-wurtzitane, 3-Nitro-1,2,4-triazolin-5-one，3,4-dinitro-1 H-pyrazole) are researched by the Conductor-like Screening Model – Realistic solvents (COSMO-RS). The results show that the study of σ-surface and σ-profile can qualitatively analyze the potential mechanism of the dissolution behavior of four explosives in the studied solvents. COSMO-RS can accurately predict the solubility of four explosives in the studied solvents, but some of the predicted solubility is different from the experimental solubility, and the deviation between the predicted solubility and the experimental solubility was analyzed. The molecular interaction energy between explosive molecules and solvent partially reveals the internal mechanism of the dissolution of explosives, however, the solvation of the four explosives is a complex process that requires the synthesis of various molecular interactions. This has a great effect on the study of solvation of explosives, and it is of great significance for solvent screening of other explosives molecules.KEYWORDS: COSMO-RSexplosivesintermolecular interaction energysolubility Disclosure statementNo potential conflict of interest was reported by the author(s).","PeriodicalId":15754,"journal":{"name":"Journal of Energetic Materials","volume":"186 ","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135928929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-30DOI: 10.1080/07370652.2023.2275204
Cao Yunshan, Li Lan, You Ting, Pei Chonghua, Duan Xiaohui
ABSTRACTNanostructured energetic materials have attracted considerable research interests during the past decades because of their improved performances in thermal decomposition and combustion. In this work, a porous nanosheet structure of dihydroxylammonium 5, 5′-bistetrazole-1, 1′-diolate (TKX-50) has been fabricated by a facile ice templating strategy, which is based on the self-assembly of TKX-50 during rapid recrystallization. Thermal decomposition properties were determined by differential scanning calorimetry/thermogravimetry (DSC/TG) and TG-FTIR analyses. The laser-ignited and constant-volume combustions and mechanical sensitivity were conducted. As-prepared TKX-50 mainly presents porous nanosheets (NS-TKX-50) assembled by the secondary nanoparticles. NS-TKX-50 is typical of mesoporous materials with high specific surface area and pore volume. Compared with raw material, NS-TKX-50 exhibits lower thermal decomposition peak temperature and higher active energy. In thermal decomposition process, a great deal of gaseous products have been generated in a very narrow temperature range. These thermal decomposition features suggest a quick energy-release rate and high energy output. Contrary to incomplete combustion of raw material, NS-TKX-50 shows high-efficiency and self-sustaining laser-ignited combustion feature with a drastically decreased ignition threshold. And its pressurization rate and peak pressure are remarkably increased. Sensitivity results confirmed the visibly reduced impact and friction sensitivity of NS-TKX-50.KEYWORDS: Ice-templatinglaser-ignited combustionporous nanosheetthermal decompositionTKX-50 AcknowledgmentsThis work was financially supported by National Natural Science Foundation of China (No. 22075230).Disclosure statementThe authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.Additional informationFundingThe work was supported by the National Natural Science Foundation of China [22075230].
{"title":"Porous nanosheets of TKX-50 by ice-templating strategy with excellent thermal decomposition and combustion properties","authors":"Cao Yunshan, Li Lan, You Ting, Pei Chonghua, Duan Xiaohui","doi":"10.1080/07370652.2023.2275204","DOIUrl":"https://doi.org/10.1080/07370652.2023.2275204","url":null,"abstract":"ABSTRACTNanostructured energetic materials have attracted considerable research interests during the past decades because of their improved performances in thermal decomposition and combustion. In this work, a porous nanosheet structure of dihydroxylammonium 5, 5′-bistetrazole-1, 1′-diolate (TKX-50) has been fabricated by a facile ice templating strategy, which is based on the self-assembly of TKX-50 during rapid recrystallization. Thermal decomposition properties were determined by differential scanning calorimetry/thermogravimetry (DSC/TG) and TG-FTIR analyses. The laser-ignited and constant-volume combustions and mechanical sensitivity were conducted. As-prepared TKX-50 mainly presents porous nanosheets (NS-TKX-50) assembled by the secondary nanoparticles. NS-TKX-50 is typical of mesoporous materials with high specific surface area and pore volume. Compared with raw material, NS-TKX-50 exhibits lower thermal decomposition peak temperature and higher active energy. In thermal decomposition process, a great deal of gaseous products have been generated in a very narrow temperature range. These thermal decomposition features suggest a quick energy-release rate and high energy output. Contrary to incomplete combustion of raw material, NS-TKX-50 shows high-efficiency and self-sustaining laser-ignited combustion feature with a drastically decreased ignition threshold. And its pressurization rate and peak pressure are remarkably increased. Sensitivity results confirmed the visibly reduced impact and friction sensitivity of NS-TKX-50.KEYWORDS: Ice-templatinglaser-ignited combustionporous nanosheetthermal decompositionTKX-50 AcknowledgmentsThis work was financially supported by National Natural Science Foundation of China (No. 22075230).Disclosure statementThe authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.Additional informationFundingThe work was supported by the National Natural Science Foundation of China [22075230].","PeriodicalId":15754,"journal":{"name":"Journal of Energetic Materials","volume":"54 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136067532","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-29DOI: 10.1080/07370652.2023.2275214
Mohammad Hossein Keshavarz, Reza Ebadpour, Mohammad Jafari
ABSTRACTOrganic energetic compounds containing aluminum (OECAl) are hazardous materials, which have extensive applications in industries. For military and commercial high explosives, Gurney velocity is the terminal velocity of explosively-propelled metal liner on the bases of the ratio of the mass of metal to the mass of explosive. Due to the high cost of experimental determination of Gurney velocity, it is suitable to have a low-cost experimental method for reliable estimation of Gurney velocity of OECAl. A novel approach is introduced to use laser-induced breakdown spectroscopy (LIBS) as a highly energetic laser pulse to atomize and excite samples (a plasma) for assessment of the Gurney velocity of OECAl. Five compositions of 1,3,5-trinitro-1,3,5-triazine (RDX)-based aluminized explosives are studied through the LIBS technique to detect their atomic and molecular emissions in the air atmosphere. Plasma emissions of these compositions are recorded where the atomic line of Al as well as molecular bands of AlO and CN have the highest intensities at some wavelengths. Intensities of Al (λ = 394.38 and 396.16 nm), CN (λ = 388.29 and 422.70 nm), and AlO (λ = 467.19, 484.25, and 464.84 nm) peaks are correlated with their Gurney velocities. The intensity of Al at 396.16 nm gives the best linear relationship (r2 = 0.981) with the Gurney velocity of OECAl samples.KEYWORDS: Laser-induced breakdown spectroscopyorganic energetic compounds containing aluminumplasma emissionsafetyterminal velocity of the explosively-propelled metal liner AcknowledgmentsWe would like to thank the research committee of Malek Ashtar University of Technology (MUT) for supporting this work.Disclosure statementNo potential conflict of interest was reported by the author(s).Availability of Data and MaterialsThe datasets generated during and/or analyzed during the current study are available from the corresponding author on reasonable request.List of SymbolsTableDisplay Table
{"title":"Assessment of the terminal velocity of explosively-propelled metal liner using laser-induced breakdown spectroscopy","authors":"Mohammad Hossein Keshavarz, Reza Ebadpour, Mohammad Jafari","doi":"10.1080/07370652.2023.2275214","DOIUrl":"https://doi.org/10.1080/07370652.2023.2275214","url":null,"abstract":"ABSTRACTOrganic energetic compounds containing aluminum (OECAl) are hazardous materials, which have extensive applications in industries. For military and commercial high explosives, Gurney velocity is the terminal velocity of explosively-propelled metal liner on the bases of the ratio of the mass of metal to the mass of explosive. Due to the high cost of experimental determination of Gurney velocity, it is suitable to have a low-cost experimental method for reliable estimation of Gurney velocity of OECAl. A novel approach is introduced to use laser-induced breakdown spectroscopy (LIBS) as a highly energetic laser pulse to atomize and excite samples (a plasma) for assessment of the Gurney velocity of OECAl. Five compositions of 1,3,5-trinitro-1,3,5-triazine (RDX)-based aluminized explosives are studied through the LIBS technique to detect their atomic and molecular emissions in the air atmosphere. Plasma emissions of these compositions are recorded where the atomic line of Al as well as molecular bands of AlO and CN have the highest intensities at some wavelengths. Intensities of Al (λ = 394.38 and 396.16 nm), CN (λ = 388.29 and 422.70 nm), and AlO (λ = 467.19, 484.25, and 464.84 nm) peaks are correlated with their Gurney velocities. The intensity of Al at 396.16 nm gives the best linear relationship (r2 = 0.981) with the Gurney velocity of OECAl samples.KEYWORDS: Laser-induced breakdown spectroscopyorganic energetic compounds containing aluminumplasma emissionsafetyterminal velocity of the explosively-propelled metal liner AcknowledgmentsWe would like to thank the research committee of Malek Ashtar University of Technology (MUT) for supporting this work.Disclosure statementNo potential conflict of interest was reported by the author(s).Availability of Data and MaterialsThe datasets generated during and/or analyzed during the current study are available from the corresponding author on reasonable request.List of SymbolsTableDisplay Table","PeriodicalId":15754,"journal":{"name":"Journal of Energetic Materials","volume":"48 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136133984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ABSTRACTThe impact of processing operations such as chemical synthesis conditions, milling, coating and pressing operations on the crystallographic structure of HMX has been studied using X-ray diffraction and Rietveld analysis. Strong differences in grain morphology and X-ray patterns were first observed after synthesis on two different setups with different washing methods. Diffraction pattern refinements were tentatively performed on the basis of known structures and assuming preferential orientations. The impossibility of achieving satisfactory agreement, even considering the orientation of several planes, could be attributed to the presence of polymorphism or hydrates. The possible new polymorphs or hydrates were metastable since milling led to the stable ß-HMX polymorph. No such transformation occurred during the coating operation, but an increase in structural defects was observed. Finally, the pressing step did not induce any transformation but surprisingly led to a decrease in structural defects, probably due to isotropic deformation of the crystallographic cell and the repairing effect of the associated thermal treatment.Keywords: Crystallographyenergetic materialsHMXProcessing operationsX-Ray diffraction AcknowledgmentsThe authors wish to thank Dr Jean-François Willart for useful discussions.Disclosure statementNo potential conflict of interest was reported by the author(s).Supplementary materialSupplemental data for this article can be accessed online at https://doi.org/10.1080/07370652.2023.2267558
{"title":"Structural evolution of HMX during processing operations","authors":"Mathieu Guerain, Pascal Palmas, Alexandre Lecardeur","doi":"10.1080/07370652.2023.2267558","DOIUrl":"https://doi.org/10.1080/07370652.2023.2267558","url":null,"abstract":"ABSTRACTThe impact of processing operations such as chemical synthesis conditions, milling, coating and pressing operations on the crystallographic structure of HMX has been studied using X-ray diffraction and Rietveld analysis. Strong differences in grain morphology and X-ray patterns were first observed after synthesis on two different setups with different washing methods. Diffraction pattern refinements were tentatively performed on the basis of known structures and assuming preferential orientations. The impossibility of achieving satisfactory agreement, even considering the orientation of several planes, could be attributed to the presence of polymorphism or hydrates. The possible new polymorphs or hydrates were metastable since milling led to the stable ß-HMX polymorph. No such transformation occurred during the coating operation, but an increase in structural defects was observed. Finally, the pressing step did not induce any transformation but surprisingly led to a decrease in structural defects, probably due to isotropic deformation of the crystallographic cell and the repairing effect of the associated thermal treatment.Keywords: Crystallographyenergetic materialsHMXProcessing operationsX-Ray diffraction AcknowledgmentsThe authors wish to thank Dr Jean-François Willart for useful discussions.Disclosure statementNo potential conflict of interest was reported by the author(s).Supplementary materialSupplemental data for this article can be accessed online at https://doi.org/10.1080/07370652.2023.2267558","PeriodicalId":15754,"journal":{"name":"Journal of Energetic Materials","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136211298","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-08DOI: 10.1080/07370652.2023.2268056
Zhiqiang Wang, Renzhe Zong, Yi Wang, Shanhu Sun, Jinjiang Xu, Yi Tong
ABSTRACTThermal expansion is an important structural parameter to evaluate the structural stability and performance reliability of energetic materials. In order to further understand the thermal expansion characteristics and mechanism of high-energy insensitive explosive 3-nitro-1, 2, 4-triazol-5-one (NTO), the thermal expansion characteristics of α-NTO were studied by in-situ X-ray diffraction (XRD) technique. Based on the Rietveld full-spectrum fitting structure refinement principle, the thermal expansion coefficient of α-NTO was obtained. The results show that α-NTO exhibits obvious reversible anisotropic thermal expansion under the action of thermal field. Based on infrared and Raman spectroscopy combined with theoretical calculation methods, the crystal packing structure of α-NTO at different temperatures and its correlation with thermal expansion characteristics were studied. It is believed that the functional groups that produce hydrogen bonds and hydrogen bond receptors in the crystal structure of α-NTO under thermal stimulation play a leading role. At the same time, compared with the thermal expansion characteristics of other explosive crystals, the influence of crystal packing on the thermal stability of explosive crystal structure was analyzed. The results show that the thermal expansion anisotropy of layered packing explosive crystals with strong hydrogen bonding is more obvious.KEYWORDS: Crystal packingin-situ X-ray diffractionNTOthermal expansion AcknowledgmentsThank you to the State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, and the Institute of Chemical Materials, China Academy of Engineering Physics for their support.Disclosure statementNo potential conflict of interest was reported by the author(s).Data availability statementThe data that support the findings of this study are available from the corresponding author upon reasonable request.Supplementary materialSupplemental data for this article can be accessed online at https://doi.org/10.1080/07370652.2023.2268056Additional informationFundingThis research were funded by the National Natural Science Foundation of China, grant number 22275177 and grant number 21975234.
{"title":"Thermal expansion characteristics of high energy insensitive explosive α-NTO","authors":"Zhiqiang Wang, Renzhe Zong, Yi Wang, Shanhu Sun, Jinjiang Xu, Yi Tong","doi":"10.1080/07370652.2023.2268056","DOIUrl":"https://doi.org/10.1080/07370652.2023.2268056","url":null,"abstract":"ABSTRACTThermal expansion is an important structural parameter to evaluate the structural stability and performance reliability of energetic materials. In order to further understand the thermal expansion characteristics and mechanism of high-energy insensitive explosive 3-nitro-1, 2, 4-triazol-5-one (NTO), the thermal expansion characteristics of α-NTO were studied by in-situ X-ray diffraction (XRD) technique. Based on the Rietveld full-spectrum fitting structure refinement principle, the thermal expansion coefficient of α-NTO was obtained. The results show that α-NTO exhibits obvious reversible anisotropic thermal expansion under the action of thermal field. Based on infrared and Raman spectroscopy combined with theoretical calculation methods, the crystal packing structure of α-NTO at different temperatures and its correlation with thermal expansion characteristics were studied. It is believed that the functional groups that produce hydrogen bonds and hydrogen bond receptors in the crystal structure of α-NTO under thermal stimulation play a leading role. At the same time, compared with the thermal expansion characteristics of other explosive crystals, the influence of crystal packing on the thermal stability of explosive crystal structure was analyzed. The results show that the thermal expansion anisotropy of layered packing explosive crystals with strong hydrogen bonding is more obvious.KEYWORDS: Crystal packingin-situ X-ray diffractionNTOthermal expansion AcknowledgmentsThank you to the State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, and the Institute of Chemical Materials, China Academy of Engineering Physics for their support.Disclosure statementNo potential conflict of interest was reported by the author(s).Data availability statementThe data that support the findings of this study are available from the corresponding author upon reasonable request.Supplementary materialSupplemental data for this article can be accessed online at https://doi.org/10.1080/07370652.2023.2268056Additional informationFundingThis research were funded by the National Natural Science Foundation of China, grant number 22275177 and grant number 21975234.","PeriodicalId":15754,"journal":{"name":"Journal of Energetic Materials","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135198629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-02DOI: 10.1080/07370652.2021.2017075
Xinhua Zhao, Jianxin Xu, Luyao Zhang, Lizhen Chen, Jianlong Wang
ABSTRACT The solubility of 1,1-diamino-2,2-dinitroethylene (FOX-7) was measured by using a laser monitoring system in binary (N-methyl pyrrolidone + acetone, ethanol, water) mixed solvents with temperatures changing from 293.15 K to 333.15 K under 0.1 MPa. The experimental solubility data for FOX-7 were correlated and fitted to thermodynamic models such as van’t Hoff model, modified Apelblat model, and Yaws model. The results show that the solubility of FOX-7 increases with increasing temperature and N-methyl pyrrolidone ratio. Three models can be used to correlate the solubility data commendably. However, the Yaws model fits best for the solvent system selected in this work. At last, the standard dissolution enthalpy, standard dissolution entropy, and standard Gibbs free energy of FOX-7 can be calculated. It was found that the dissolution of FOX-7 in all test solvents was endothermic and non-spontaneous.
{"title":"Solubility and thermodynamics properties of FOX-7 in binary (N-methyl pyrrolidone + acetone, ethanol, water) mixed solvents","authors":"Xinhua Zhao, Jianxin Xu, Luyao Zhang, Lizhen Chen, Jianlong Wang","doi":"10.1080/07370652.2021.2017075","DOIUrl":"https://doi.org/10.1080/07370652.2021.2017075","url":null,"abstract":"ABSTRACT The solubility of 1,1-diamino-2,2-dinitroethylene (FOX-7) was measured by using a laser monitoring system in binary (N-methyl pyrrolidone + acetone, ethanol, water) mixed solvents with temperatures changing from 293.15 K to 333.15 K under 0.1 MPa. The experimental solubility data for FOX-7 were correlated and fitted to thermodynamic models such as van’t Hoff model, modified Apelblat model, and Yaws model. The results show that the solubility of FOX-7 increases with increasing temperature and N-methyl pyrrolidone ratio. Three models can be used to correlate the solubility data commendably. However, the Yaws model fits best for the solvent system selected in this work. At last, the standard dissolution enthalpy, standard dissolution entropy, and standard Gibbs free energy of FOX-7 can be calculated. It was found that the dissolution of FOX-7 in all test solvents was endothermic and non-spontaneous.","PeriodicalId":15754,"journal":{"name":"Journal of Energetic Materials","volume":"57 1","pages":"632 - 655"},"PeriodicalIF":2.1,"publicationDate":"2023-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139324312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-09-05DOI: 10.1080/07370652.2023.2255174
Jin-Qiang Zhou, Yi-Ming Wang, Hua Fang, Peng Deng, Jian-Xin Nie, Xueyong Guo, R. Liu
{"title":"Combustion performance and mechanism of DAP-4/Al composites with WO3 nanoparticles","authors":"Jin-Qiang Zhou, Yi-Ming Wang, Hua Fang, Peng Deng, Jian-Xin Nie, Xueyong Guo, R. Liu","doi":"10.1080/07370652.2023.2255174","DOIUrl":"https://doi.org/10.1080/07370652.2023.2255174","url":null,"abstract":"","PeriodicalId":15754,"journal":{"name":"Journal of Energetic Materials","volume":" ","pages":""},"PeriodicalIF":2.1,"publicationDate":"2023-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43535336","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：