Modeling of the phase equilibria of aqueous two-phase systems using three-dimensional neural network

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• 作者：Hui Chao Lv ; Da Yong Tian
• 关键词：Three ; dimensional Neural Network ; Weight Comparison Method ; Aqueous Two ; Phase System ; Phase Equilibria
• 刊名：Korean Journal of Chemical Engineering
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：34
• 期：1
• 页码：170-178
• 全文大小：
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Industrial Chemistry/Chemical Engineering; Catalysis; Materials Science, general; Biotechnology;
• 出版者：Springer US
• ISSN：1975-7220
• 卷排序：34

文摘

A three-dimensional neural network model has been designed for representing the phase equilibrium data related to aqueous two-phase systems. The polyvinyl pyrrolidone/phosphate/water system was selected as the model system to demonstrate the point of interest. The collected experimental data were categorized into two subsets, training and validation sets, not only to find the suitable network configuration but also to prevent the overfitting problem. Meanwhile, the weight comparison method was proposed to optimize the three-dimensional neural net. The results of accuracy comparison indicate that it outperforms the two-dimensional neural network on some details and can further enhance the calculation accuracy of the phase equilibrium data for these investigated aqueous two-phase systems. The development of the neural network in the three-dimensional space should be a research project of concern.