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采用人工神经网络预测 2-苯乙醇和 3-苯丙醇的竞争吸附等温线。

Prediction of the competitive adsorption isotherms of 2-phenylethanol and 3-phenylpropanol by artificial neural networks.

机构信息

Department of Chemical and Engineering, University of Science and Technology of Liaoning, Anshan, Liaoning 114051, China.

Department of Chemical and Engineering, University of Science and Technology of Liaoning, Anshan, Liaoning 114051, China.

出版信息

J Chromatogr A. 2014 Mar 7;1332:14-20. doi: 10.1016/j.chroma.2014.01.049. Epub 2014 Jan 24.

DOI:10.1016/j.chroma.2014.01.049
PMID:24508397
Abstract

Artificial neural networks (ANNs) were regarded as data-mapping networks with strong nonlinear fitting abilities. A 2-6-2 network was used to determine the competitive adsorption isotherm of 2-phenylethanol (PE) and 3-phenylpropanol (PP). The ANN results were forms of data mapping rather than theoretical mathematical model. The ANN architecture was established after training with a set of experimental data. The established ANN was applied to predict the adsorption isotherms of PE and PP. The selection of parameters for the ANN was discussed. The results indicate that ANN has excellent potential for use in non-linear chromatography for the prediction of adsorption isotherms.

摘要

人工神经网络(ANNs)被视为具有强大非线性拟合能力的数据映射网络。采用 2-6-2 网络确定 2-苯乙醇(PE)和 3-苯丙醇(PP)的竞争吸附等温线。ANN 结果是数据映射的形式,而不是理论数学模型。ANN 架构是在用一组实验数据进行训练后建立的。建立的 ANN 用于预测 PE 和 PP 的吸附等温线。讨论了 ANN 参数的选择。结果表明,ANN 在用于预测吸附等温线的非线性色谱中具有优异的应用潜力。

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