| 硝基化合的热力学性质的估算（1） |
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| 引用本文： | 徐宏,田德余.硝基化合的热力学性质的估算（1）[J].固体火箭技术,2000,23(1):48-52. |
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| 作者姓名： | 徐宏 田德余 |
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| 作者单位： | [1]深圳大学师范学院化学及生物学系 [2]国防科技大学五系 |
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| 基金项目： | “九五”国防预研课题!( 1 2 N1 .961 3 -2 ) |
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| 摘 要： | 硝基化合物是常用的含能材料，其生成热的估算具有重要的意义。本文根据次级基团加积法和原理，提出了硝仿基的基团生成热值各种情况下邻位和间位硝基之间相互作用的能量修正值，应用这些值牟脂肪族硝基化合物的生成热进行了估算，取得了满意的结果，其拟合方程的回归系数达到０．９９７０。
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| 关 键 词： | 硝基化合物 热化学性质 生成熟 次级基团加和法 |
| 修稿时间： | 1999-10-13 |
Estimation of Thermodynamic Properties of Nitro-Compounds (I) |
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| XU Hong,WANG Cheng li,LIU Jian hong.Estimation of Thermodynamic Properties of Nitro-Compounds (I)[J].Journal of Solid Rocket Technology,2000,23(1):48-52. |
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| Authors: | XU Hong WANG Cheng li LIU Jian hong |
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| Abstract: | Nitro compounds are commonly used as energetic materials. Estimation of their heat of formation is very important. On the basis of the second order group additivity, the paper presents the value of heat of formation of C(NO 2) 3 group and the energy corrected values to the interaction between o nitros and between m nitros under various conditions. Appling these values to the estimation of heat of formation of aliphatic nitro compounds, a satisfied result is given. The correlation coefficients (R) of MLR equation is 0.9970. |
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| Keywords: | nitro compounds thermochemical properties heat of formation second order group additivity + |
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