| 采用人工神经网络方法预测烷烃的无限稀释活度系数 |
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| 引用本文： | 孙伟,宋海华,王秀丽,王明涛. 采用人工神经网络方法预测烷烃的无限稀释活度系数[J]. 天津理工大学学报, 2001, 17(4): 93-96 |
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| 作者姓名： | 孙伟 宋海华 王秀丽 王明涛 |
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| 作者单位： | 天津大学化工学院,天津,300072 |
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| 摘 要： | 采用人工神经网络技术,利用改进的BP算法Levenberg-Marquardt优化学习方法,以分子连接性指数等作为分子描述参数,对烷烃在各种溶剂中的无限稀释活度系数进行预测.计算值与实验值进行比较,表明两者结合具有良好的预测效果.
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| 关 键 词： | 活度系数 人工神经网络 分子连接性指数 |
| 文章编号： | 1004-2261(2001)04-093-04 |
| 修稿时间： | 2001-06-05 |
Prediction for the infinite dilution activity coefficients of alkanes with artificial neural network |
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| SUN Wei,SONG Hai hua,WANG Xiu li,WANG Ming tao. Prediction for the infinite dilution activity coefficients of alkanes with artificial neural network[J]. Journal of Tianjin University of Technology, 2001, 17(4): 93-96 |
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| Authors: | SUN Wei SONG Hai hua WANG Xiu li WANG Ming tao |
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| Abstract: | In this paper, artificial neural networks with improved back propagation: Levenberg Marquardt method, and molecular connectivity indices were employed to predict the activity coefficients of alkanes at infinite dilution of solvents. In comparison with the experimental values, the prediction is satisfactory. |
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| Keywords: | activity cofficients artificial neural network molecular connectivity indice |
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