| 3,5-二氨基-1,2,4-三唑苦味酸盐的比热容、热力学性质及爆速爆压的估算 |
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| 引用本文： | 任莹辉,张超,张鲜波,赵凤起,马海霞,徐抗震,宋纪蓉,胡荣祖.3,5-二氨基-1,2,4-三唑苦味酸盐的比热容、热力学性质及爆速爆压的估算[J].西北大学学报,2012(1):56-59. |
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| 作者姓名： | 任莹辉 张超 张鲜波 赵凤起 马海霞 徐抗震 宋纪蓉 胡荣祖 |
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| 作者单位： | 西北大学化工学院/陕西省物理无机化学重点实验室;西安近代化学研究所燃烧与爆炸技术重点实验室;故宫博物院文保科技部 |
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| 基金项目： | 国家自然科学基金资助项目(20803085);陕西省自然科学基金资助项目(2011JQ2002);第49批中国博士后科学基金面上基金资助项目;西北大学校内基金资助项目(NG0908) |
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| 摘 要： | 目的研究三唑类含能离子化合物3,5-二氨基-1,2,4-三唑苦味酸盐(C8N8H8O7,简称DAT.PA)的比热容,热力学性质及爆速、爆压。方法比热容测定采用Micro-DSCⅢ微热量仪中的连续比热容测定模式;运用Gaussian 03W程序的DFT-RB3LYP/6-31g*方法对DAT·PA在283～353K的温度范围内进行了比热容理论计算;根据热力学基本方程计算以298.15 K为基础DAT.PA的热力学函数;采用氮平衡方程研究化合物的爆速和爆压。结果得到DAT.PA比热容方程为Cp(J/g·K)=-0.233 7+6.005 6×10-3T-5.396 9×10-6T2(283K
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| 关 键 词： | 3 5-二氨基-1 2 4-三唑苦味酸盐 比热容 热力学函数 爆速爆压 |
Specific heat capacity,thermodynamic properties and characterization of detonation velocity and pressure of picrate of 3,5-diamino-1,2,4-triazole |
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| REN Ying-hui,ZHANG Chao,ZHANG Xian-bo,ZHAO Feng-qi,MA Hai-xia,XU Kang-zhen,SONG Ji-rong,HU Rong-zu.Specific heat capacity,thermodynamic properties and characterization of detonation velocity and pressure of picrate of 3,5-diamino-1,2,4-triazole[J].Journal of Northwest University(Natural Science Edition),2012(1):56-59. |
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| Authors: | REN Ying-hui ZHANG Chao ZHANG Xian-bo ZHAO Feng-qi MA Hai-xia XU Kang-zhen SONG Ji-rong HU Rong-zu |
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| Institution: | 1.School of Chemical Engineering,Shaanxi Key Laboratory of Physico-inorganic Chemistry,Northwest University,Xi′an 710069,China; 2.Science and Technology on Combustion and Explosion Laboratory,Xi′an Modern Chemistry Research Institute,Xi′an 710065,China; 3.Conservation Technology Department,The Palace Museum,Beijing 100009,China) |
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| Abstract: | Aim To study the specific heat capacity,thermodynamic functions and Characterization of detonation velocity and pressure of picrates of 3,5-diamino-1,2,4-triazole(DAT·PA).Methods The specific heat capacity(Cp) was determined with the continuous Cp modes of a mircocalorimeter(Micro-DSCⅢ).The theory calculation of Cp was also carried out by a DFT-RB3LYP/6-31G* method in Gaussian 03W package.The thermodynamic functions were calculated through the thermodynamic relationship.The detonation velocity(D) and pressure(P) were also estimated by using the nitrogen equivalent equation.Results The specific heat capacity equation is shown as Cp(J/g·K)=-0.233 7+6.005 6×10-3T-5.396 9×10-6T2(283K
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| Keywords: | 3 5-diamino-1 2 4-triazole(DAT) the specific heat capacity the thermodynamic functions detonation velocity and pressure |
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