火炸药学报2024,Vol.47Issue(9) :779-785.DOI:10.14077/j.issn.1007-7812.202310008

含能金属有机框架[Ag2(HOBTT)]n的制备与性能表征

Synthesis and Properties Characterization of Energetic Metal-organic Framework[Ag2(HOBTT)]n

罗利琼 金波 彭汝芳
火炸药学报2024,Vol.47Issue(9) :779-785.DOI:10.14077/j.issn.1007-7812.202310008

含能金属有机框架[Ag2(HOBTT)]n的制备与性能表征

Synthesis and Properties Characterization of Energetic Metal-organic Framework[Ag2(HOBTT)]n

罗利琼 1金波 1彭汝芳1
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作者信息

  • 1. 西南科技大学环境友好能源材料国家重点实验室,四川绵阳 621010
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摘要

以4,5-二(1-羟基-四唑)-1,2,3-三唑(H3OBTT)为配体,Ag(Ⅰ)作为金属中心,采用溶剂热法合成了一种新的含能金属有机框架材料[Ag2(HOBTT)]n;通过单晶X射线衍射(SXRD)、粉末X射线衍射(PXRD)、元素分析(EA)和红外光谱(IR)表征了其结构;采用差示扫描量热仪(DSC)和热重分析仪(TG)研究了其热稳定性,基于Kissinger法获得了非等温热分解动力学参数;通过撞击感度仪、摩擦感度仪考察了[Ag2(HOBTT)]n的机械感度;根据GGA-PBE泛函得到[Ag2(HOBTT)]n的爆炸热,并结合Kamlet-Jacobs方程计算得到爆速和爆压.结果表明,[Ag2(HOBTT)]n为三维框架结构,结构中不含溶剂分子,晶体属于斜方晶系、Fddd空间群,晶体密度为3.309g/cm3,起始热分解温度为586.6K,热分解动力学参数分别为Ea=255.18kJ/mol、In(A/s-1)=43.30,撞击感度IS>40J、摩擦感度FS=108N,爆速为7.68km/s,爆压为35.08GPa.表明[Ag2(HOBTT)]n热稳定性好,机械感度适中,爆轰性能优异,是一种具有应用前景的含能材料.

Abstract

A new energetic metal-organic framework,[Ag2(HOBTT)]n,was prepared by solvothermal method using 4,5-bis(1-hydroxy-tetrazol)-1,2,3-triazole(H3 OBTT)as ligand and Ag(Ⅰ)as metal center.The structure was characterized by sin-gle crystal X-ray diffraction(SXRD),powder X-ray diffraction(PXRD),infrared spectroscopy(IR)and elemental analysis(EA).The thermal stability was studied by differential scanning calorimeter(DSC)and thermogravimetric(TG)analyzer.The non-isothermal kinetic parameters of thermal decomposition were calculated by Kissinger's method.The mechanical sensitivities of[Ag2(HOBTT)]n were investigated by impact sensitivity meter and friction sensitivity meter.The GGA-PBE functional was used to calculate the detonation heat,and the detonation velocity and detonation pressure were obtained by Kamlet-Jacobs e-quation.The results show that[Ag2(HOBTT)]n is a three-dimensional solvent-free framework,belonging to the orthorhombic crystal system and Fddd space group with crystal density of 3.309 g/cm3.The initial thermal decomposition temperature of[Ag2(HOBTT)]n is 586.6K,corresponding thermal decomposition kinetic parameters Ea=255.18kJ/mol and ln(A/s-1)=43.30.Its impact sensitivity is greater than 40J,friction sensitivity is 108N,detonation velocity and detonation pressure are 9.73km/s and 56.38GPa,respectively,showing that[Ag2(HOBTT)]n is a kind of promising energetic material with good thermal stability,moderate mechanical sensitivity,and excellent detonation performance.

关键词

含能材料/金属有机框架/4,5-二(1-羟基-四唑)-1,2,3-三唑/晶体结构/EMOF

Key words

energetic materials/metal-organic frameworks/4,5-bis(1-hydroxytetrazol-5-yl)-2H-1,2,3-tri-azole/crystal structure/EMOF

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基金项目

国家自然科学基金(22275151)

国家自然科学基金(22305197)

西南科技大学博士基金(22zx7135)

环境友好能源材料国家重点实验室开放基金(22fksy18)

出版年

2024
火炸药学报
中国兵工学会 中国兵器工业第204研究所

火炸药学报

CSTPCDCSCD北大核心
影响因子:0.841
ISSN:1007-7812
参考文献量24
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