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三元分子体系的过量摩尔体积:基于人工神经网络的表达和预测
引用本文:曹益林,刘洪霖.三元分子体系的过量摩尔体积:基于人工神经网络的表达和预测[J].计算机与应用化学,1997,14(3):197-202.
作者姓名:曹益林  刘洪霖
作者单位:河南师范大学化学系!新乡,453002,河南师范大学化学系!新乡,453002,河南师范大学化学系!新乡,453002,河南师范大学化学系!新乡,453002,河南师范大学化学系!新乡,453002,河南师范大学化学系!新乡,453002,中国科学院上海冶金研究所!上海,200050
摘    要:以二元混合物体系的实验数据为基础,通过神经网络表达混合物组成与过量摩尔体积的定量关系,进而推测三元混合物体系和过量摩尔体积,本文研究了16个极性和非极性混合物体系,对其对摩尔体系的预测结果优于Rastogi方程的计算结果,表明神经网络可以作为一种推测三元混合物体系过量摩尔体积的工具。

关 键 词:神经网络  过量摩尔体积  三元混合物

EXCESS MOLAR VOLUMES OF TERNARY MOLECULAR SYSTEMS:REPRESENTAION AND PREDICTION BASED ON NEURAL NETWORKS
Cao Yilin,Wang Xuefeng,Lu Qingzhang, Tang Junming,Xian Dong,Yang Shuting.EXCESS MOLAR VOLUMES OF TERNARY MOLECULAR SYSTEMS:REPRESENTAION AND PREDICTION BASED ON NEURAL NETWORKS[J].Computers and Applied Chemistry,1997,14(3):197-202.
Authors:Cao Yilin  Wang Xuefeng  Lu Qingzhang  Tang Junming  Xian Dong  Yang Shuting
Abstract:Representation and prediction of excess molar volumes for ternary molecu lar mixtures based on binary experimental data have been investigated. Sixteen polar and nonpolar ternary molecular systems have been studied iirthis paper. The predictions were superior to those calculated using Rastogi's equation. It seems that neural network can be used as a tool for the excess molar volume predictions of ternary mixtures.
Keywords:Neural Network  Ternary molecular mixture  Excess molar Volumed
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