| 用人工神经网络法预估高氮化合物的生成焓 |
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| 引用本文： | 王明良,田德余,吕晓旋,贵大勇,洪伟良,刘剑洪.用人工神经网络法预估高氮化合物的生成焓[J].火炸药学报,2011,34(1):9-14. |
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| 作者姓名： | 王明良 田德余 吕晓旋 贵大勇 洪伟良 刘剑洪 |
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| 作者单位： | 深圳大学化学与化工学院,广东,深圳,518060 |
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| 摘 要： | 采用误差反向传播学习(BP)人工神经网络算法,以分子结构中不同基团作为描述码,对高氮化合物的标准生成焓进行预估,研究了网络参数及分子结构描述码对标准生成焓的影响,计算结果与文献值符合得较好,其回归方程相关系数为0.99823,相对误差在10%左右.人工神经网络(ANN)法是一种简单有效的预测高氮化合物生成焓的方法.
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| 关 键 词： | 物理化学 高氮化合物 含能材料 人工神经网络 标准生成焓 |
Calculation of Enthalpy of Formation for High Nitrogen Compounds Based on Artificial Neural Network Approach |
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| WANG Ming-liang,TIAN De-yu,Lü Xiao-xuan,GUI Da-yong,HONG Wei-liang,LIU Jian-hong.Calculation of Enthalpy of Formation for High Nitrogen Compounds Based on Artificial Neural Network Approach[J].Chinese Journal of Explosives & Propellants,2011,34(1):9-14. |
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| Authors: | WANG Ming-liang TIAN De-yu Lü Xiao-xuan GUI Da-yong HONG Wei-liang LIU Jian-hong |
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| Affiliation: | WANG Ming-liang,TIAN De-yu,Lü Xiao-xuan,GUI Da-yong,HONG Wei-liang,LIU Jian-hong(School of Chemistry and Chemical Engineering,Shenzhen University,Shenzhen 518060,China) |
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| Abstract: | With the molecular structure describers,the enthalpy of formation for high nitrogen compounds are predicted by using an artificial neural network(ANN) approach.The influences of neural network parameters and molecular structure describers(MSD) on the standard enthalpy of formation are studied.It was found that the calculated enthalpy of formation agrees well with the lilerature ones with the correlation coefficient of 0.99823.The relative errors are around 10%.The ANN approach is an effective and simple met... |
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| Keywords: | physical chemistry high nitrogen compounds energetic material ANN standard enthalpy of formation |
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