火炸药学报2011，Vol.34Issue(1)：9-14,6.
用人工神经网络法预估高氮化合物的生成焓
Calculation of Enthalpy of Formation for High Nitrogen Compounds Based on Artificial Neural Network Approach
摘要
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 method for predicting the enthalpy of formation of high nitrogen compounds.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Key words
physical chemistry/ high nitrogen compounds/ energetic material/ ANN/ standard enthalpy of formation分类
军事科技引用本文复制引用
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):9-14,6.基金项目
国家"973"项目(61337) （61337）
