Pub Date : 2016-09-25DOI: 10.11943/J.ISSN.1006-9941.2016.09.011
张红梨, 刘渝, 张浩斌, 李诗纯, 朱春华, 徐金江, 杨世源, 李金山
Two kinds of phase transitions (α→β and β→γ) of the insensitive high explosive, 1, 1-diamino-2, 2-dinitroethylene(FOX-7), have been investigated by temperature-dependent Fourier transform infrared(FTIR) spectroscopy, and the effects of intermolecular H-bonding interactions and molecular structure in the phase transitions of FOX-7 were discussed. The frequency of ν11 [NH2 (νas)] and ν10 [NO2 (νs)] shifts about 20 cm-1, together with the loss of ν18 [C—NO2 (ν)] in the range of 55 ℃ to 122 ℃, while ν12 [C—NH2(ν)] disappears and ν20[NO2(ω)] transforms to another broad peaks in the range of 122 ℃ to 190 ℃. The analytical results of the IR spectra indicate that intermolecular hydrogen bonding interactions change in the phase transitions of the FOX-7, which cause the changes of the molecular structure. Moreover, in the process of α→β transition, the changes of H-bonding length with increasing temperature are not consistent with the linear thermal expansion formula, and ν11、ν4[Fermi resonance between the NH2 (νas) and the overtone mode of the NH2 scissor (2ν5)]、ν7 and ν10[NO2(νas)] show special frequencies, which are different from those of α and β-FOX-7. The results confirm the transition state in the α→β transition.
{"title":"变温红外光谱法研究FOX-7的相变（英）","authors":"张红梨, 刘渝, 张浩斌, 李诗纯, 朱春华, 徐金江, 杨世源, 李金山","doi":"10.11943/J.ISSN.1006-9941.2016.09.011","DOIUrl":"https://doi.org/10.11943/J.ISSN.1006-9941.2016.09.011","url":null,"abstract":"Two kinds of phase transitions (α→β and β→γ) of the insensitive high explosive, 1, 1-diamino-2, 2-dinitroethylene(FOX-7), have been investigated by temperature-dependent Fourier transform infrared(FTIR) spectroscopy, and the effects of intermolecular H-bonding interactions and molecular structure in the phase transitions of FOX-7 were discussed. The frequency of ν11 [NH2 (νas)] and ν10 [NO2 (νs)] shifts about 20 cm-1, together with the loss of ν18 [C—NO2 (ν)] in the range of 55 ℃ to 122 ℃, while ν12 [C—NH2(ν)] disappears and ν20[NO2(ω)] transforms to another broad peaks in the range of 122 ℃ to 190 ℃. The analytical results of the IR spectra indicate that intermolecular hydrogen bonding interactions change in the phase transitions of the FOX-7, which cause the changes of the molecular structure. Moreover, in the process of α→β transition, the changes of H-bonding length with increasing temperature are not consistent with the linear thermal expansion formula, and ν11、ν4[Fermi resonance between the NH2 (νas) and the overtone mode of the NH2 scissor (2ν5)]、ν7 and ν10[NO2(νas)] show special frequencies, which are different from those of α and β-FOX-7. The results confirm the transition state in the α→β transition.","PeriodicalId":35753,"journal":{"name":"Hanneng Cailiao/Chinese Journal of Energetic Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79248340","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-09-25DOI: 10.11943/J.ISSN.1006-9941.2016.09.019
罗义芬, 翟连杰, 毕福强, 周诚, 王伯周
A novel energetic inner-salt 5, 5′-bis(3-diazo-1, 2, 4-triazole)(BDTZ) was firstly designed and synthesized via two-step reactions of cyclodehydration and diazotization using oxalic acid and aminoguanidinium bicarbonate as starting materials with a total yield of 53.0%, and its structure was characterized by the means of IR spectrum, NMR and elemental analysis. Based on 3LYP/6-311G+(d, p) level, the estimated density of BDTZ is 1.73 g·cm-3, its detonation velocity is 7780 m·s-1 and the detonation pressure is 26.72 GPa. The nitrogen content of BDTZ is 74.47%, which contains no toxic heavy metals, showing that BDTZ is a green primary explosive with good detonation performance.
{"title":"新型含能内盐5,5′-双(3-重氮基-1,2,4-三唑)合成与表征（英）","authors":"罗义芬, 翟连杰, 毕福强, 周诚, 王伯周","doi":"10.11943/J.ISSN.1006-9941.2016.09.019","DOIUrl":"https://doi.org/10.11943/J.ISSN.1006-9941.2016.09.019","url":null,"abstract":"A novel energetic inner-salt 5, 5′-bis(3-diazo-1, 2, 4-triazole)(BDTZ) was firstly designed and synthesized via two-step reactions of cyclodehydration and diazotization using oxalic acid and aminoguanidinium bicarbonate as starting materials with a total yield of 53.0%, and its structure was characterized by the means of IR spectrum, NMR and elemental analysis. Based on 3LYP/6-311G+(d, p) level, the estimated density of BDTZ is 1.73 g·cm-3, its detonation velocity is 7780 m·s-1 and the detonation pressure is 26.72 GPa. The nitrogen content of BDTZ is 74.47%, which contains no toxic heavy metals, showing that BDTZ is a green primary explosive with good detonation performance.","PeriodicalId":35753,"journal":{"name":"Hanneng Cailiao/Chinese Journal of Energetic Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89170533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-09-25DOI: 10.11943/J.ISSN.1006-9941.2016.09.016
付秋菠, 李敏, 郭菲, 王猛, 王窈
The two types of flyer were designed to study short duration pulse shock initiation characteristics of ultrafine 2, 6-diamino-3, 5-dinitro-pyrazine-1-oxide(LLM-05). The firing testing of ultrafine LLM-105 is implemented by D-optimal method based on analysis of flyer velocity. It is found that the flyer velocity is increasing as increasing pulse current. The velocity is sensitive to current variety for large dimension flyer by contrasting small dimension flyer. The inferior velocity consistency for large flyer exists, which has the relationship with air resistance. The air resistance is increasing with improvement of flyer dimension. The 50% firing current, of ultrafine LLM-105 is 2.14 kA by small dimension flyer, which is almost equal to initiating threshold of HNS-Ⅳ. It is indicated that ultrafine LLM-105 would be used for initiation explosive at slapper detonator. The LLM-105 explosion system will satisfy the development trend of slappde detonator, namely, desensitization, low input energy, and so on.
{"title":"超细LLM-105短脉冲起爆特性（英）","authors":"付秋菠, 李敏, 郭菲, 王猛, 王窈","doi":"10.11943/J.ISSN.1006-9941.2016.09.016","DOIUrl":"https://doi.org/10.11943/J.ISSN.1006-9941.2016.09.016","url":null,"abstract":"The two types of flyer were designed to study short duration pulse shock initiation characteristics of ultrafine 2, 6-diamino-3, 5-dinitro-pyrazine-1-oxide(LLM-05). The firing testing of ultrafine LLM-105 is implemented by D-optimal method based on analysis of flyer velocity. It is found that the flyer velocity is increasing as increasing pulse current. The velocity is sensitive to current variety for large dimension flyer by contrasting small dimension flyer. The inferior velocity consistency for large flyer exists, which has the relationship with air resistance. The air resistance is increasing with improvement of flyer dimension. The 50% firing current, of ultrafine LLM-105 is 2.14 kA by small dimension flyer, which is almost equal to initiating threshold of HNS-Ⅳ. It is indicated that ultrafine LLM-105 would be used for initiation explosive at slapper detonator. The LLM-105 explosion system will satisfy the development trend of slappde detonator, namely, desensitization, low input energy, and so on.","PeriodicalId":35753,"journal":{"name":"Hanneng Cailiao/Chinese Journal of Energetic Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85863845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2016-09-25DOI: 10.11943/J.ISSN.1006-9941.2016.09.003
Yan-feng Li, Lianjie Zhai, K. Xu, Ji-rong Song, F. Zhao
Energies of combustion and specific heat capacities of diaminofurazan(DAF), dinitrofurazan(DNF) and diaminoazofurazan(DAAzF) were determined. Energies of combustion for the three compounds are (-13043±119), (-6863±37) J·g-1 and (-12661±54) J·g-1, respectively. The corresponding standard molar enthalpies of formation (ΔfHmΘ) were obtained with the different combustion products. The values of specific heat capacities for the three compounds are (140.8±0.1), (236.8±0.2), (216.9±0.2) J·mol-1·K-1, respectively. Energy of combustion tends to rise with the decrease of oxygen content in molecule (DAF>DAAzF>DNF). Amino group contributes to increase energy of combustion, but nitro group has the opposite effect. As for the specific heat capacity, the change rule is opposite to energy of combustion.
{"title":"Energies of Combustion and Specific Heat Capacities of Diaminofurazan, Dinitrofurazan and Diaminoazofurazan","authors":"Yan-feng Li, Lianjie Zhai, K. Xu, Ji-rong Song, F. Zhao","doi":"10.11943/J.ISSN.1006-9941.2016.09.003","DOIUrl":"https://doi.org/10.11943/J.ISSN.1006-9941.2016.09.003","url":null,"abstract":"Energies of combustion and specific heat capacities of diaminofurazan(DAF), dinitrofurazan(DNF) and diaminoazofurazan(DAAzF) were determined. Energies of combustion for the three compounds are (-13043±119), (-6863±37) J·g-1 and (-12661±54) J·g-1, respectively. The corresponding standard molar enthalpies of formation (ΔfHmΘ) were obtained with the different combustion products. The values of specific heat capacities for the three compounds are (140.8±0.1), (236.8±0.2), (216.9±0.2) J·mol-1·K-1, respectively. Energy of combustion tends to rise with the decrease of oxygen content in molecule (DAF>DAAzF>DNF). Amino group contributes to increase energy of combustion, but nitro group has the opposite effect. As for the specific heat capacity, the change rule is opposite to energy of combustion.","PeriodicalId":35753,"journal":{"name":"Hanneng Cailiao/Chinese Journal of Energetic Materials","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2016-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83576670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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