高等学校化学学报

高等学校化学学报

• 研究论文 • 上一篇    下一篇

3,4-二硝基呋咱基氧化呋咱的比热容、热力学性质、绝热至爆时间及热感度概率密度分布

高红旭1, 赵凤起1, 胡荣祖1, 徐抗震2, 张海3, 王鹏4, 杜志明4, 徐司雨1, 仪建华1, 马海霞2, 常春然2, 宋纪蓉2,5   

    1. 西安近代化学研究所, 西安 710065;
    2. 西北大学化工学院, 陕西省物理无机化学重点实验室,
    3. 数学系, 西安 710069;
    4. 北京理工大学爆炸科学与技术国家重点实验室, 北京 100081;
    5. 故宫博物院文物保护科技部, 北京 100009
  • 收稿日期:2007-09-13 修回日期:1900-01-01 出版日期:2008-05-10 发布日期:2008-05-10
  • 通讯作者: 赵凤起

Specific Heat Capacity, Thermodynamic Properties, Adiabatic Time-to-Explosion and Thermal Sensitivity Probability Density Distribution of 3,4-dinitrofurazanfuroxan(DNTF)

GAO Hong-Xu1, ZHAO Feng-Qi1*, HU Rong-Zu1, XU Kang-Zhen2, ZHANG Hai3, WANG Peng4, DU Zhi-Ming4, XU Si-Yu1, YI Jian-Hua1, MA Hai-Xia2, CHANG Chun-Ran2, SONG Ji-Rong2,5   

    1. Xi’an Modern Chemistry Institute, Xi’an 710065, China;
    2. College of Chemical Engineering, Shaanxi Key Laboratory of Physico-Inorganic Chemistry,
    3. Department of Mathematics, Northwest University, Xi’an 710069, China;
    4. State Key Laboratory of Explosion Science and Technology, Beijing Institue of Technology, Beijing 100081, China;
    5. Conservation Technology Department, the Palace Museum, Beijing 100009, China
  • Received:2007-09-13 Revised:1900-01-01 Online:2008-05-10 Published:2008-05-10
  • Contact: ZHAO Feng-Qi

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被引次数

14

摘要： 应用Micro-DSCⅢ微热量仪对3,4-二硝基呋咱基氧化呋咱(DNTF)进行比热容测定, 得到了DNTF比热容随温度变化的线性方程定压cp=0.31064＋2.109×10-3T (285 K<T<345 K), 298.15 K时DNTF的标准摩尔比热容为293.10 J/(mol·K). 运用Gaussian 98W程序的DFT-RB3LYP/6-31＋G(d)方法对DNTF在285—345 K的温度范围内进行了比热容理论计算. 用测得的比热容方程计算了298.15 K为基础的DNTF的热力学函数, 得到了绝热条件下DNTF的绝热至爆时间为103.7 s. 推导了含能材料热感度概率密度函数的表达式, 构建了DNTF的热感度概率密度分布图.

关键词: 3,4-二硝基呋咱基氧化呋咱, 比热容, 热力学性质, 绝热至爆时间, 热感度概率密度分布

Abstract: 3,4-Dinitrofurazanfuroxan(DNTF) is a novel energy density material and possesses a high energy, low melting point, good thermal stability and moderate sensitivity. It can be used in solid rocket propellant, warhead and explosive net with a broad prospect of applications. The specific heat capacity of DNTF was determined with the continuous cp mode of mircocalorimeter (Micro-DSCⅢ). The equation of cp to temperature is cp＝0.31064＋2.109×10-3T (285 K<T<345 K). The standard mole specific heat capacity of DNTF was 293.10 J/(mol·K) at 298.15 K. Furthermore, specific heat capacity of DNTF were calculated by DFT-RB3LYP/6-31+G(d) method in Gaussian 98W package and using the above determination result of specific heat capacity. The thermodynamic functions of DNTF, relative to the standard temperature 298.15 K, were calculated through thermodynamic relationship and the adiabatic time-to-explosion(tTIad) was also obtained. The tTIad of DNTF is 103.7 s. The thermal sensitivity probability density distribution function of energetic materials was deducted and thermal sensitivity probability density distribution curve of DNTF was constructed.

Key words: 3,4-Dinitrofurazanfuroxan(DNTF), Specific heat capacity, Thermodynamic property, Adiabatic time-to-explosion, Thermal sensitivity probability density distribution

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