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Surface Tension Estimation of Binary Mixtures of Organic Compounds Using Artificial Neural Networks

机译:利用人工神经网络估算有机化合物的二元混合物的表面张力

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摘要

The surface tension of binary mixtures at different temperatures and compositions is required in much scientific and technological research. Therefore, having an exact correlation between surface tension and easily accessible physical properties is essential. In this work, the sensitivity of the surface tension to some physical properties was studied by using artificial neural networks (ANNs) to find the most effective ones. Furthermore, ANNs were used to estimate the surface tension of binary systems as a function of the most effective physical properties including critical pressure, reduced temperature, acentric factor, and molar density. The experimental data, collected for training and verifying the networks, include various materials such as alkanes, alkenes, aromatics, alcohols, organic acids, as well as chlorine, iodine, sulfur, nitrogen, and fluorine-containing compounds in the composition ranges from 0 to 100 mole percent, and temperatures between 116 K and 393 K. The average absolute relative deviation (AARD) of the most accurate network, obtained for all 2038 data points regarding 83 binary mixtures, is 1.75%.
机译:许多科学和技术研究都要求在不同温度和成分下二元混合物的表面张力。因此,在表面张力和易于接近的物理性质之间具有精确的相关性至关重要。在这项工作中,通过使用人工神经网络(ANN)寻找最有效的方法,研究了表面张力对某些物理性能的敏感性。此外,人工神经网络被用来估计二元体系的表面张力,这是最有效的物理特性的函数,包括临界压力,降低的温度,偏心因子和摩尔密度。为训练和验证网络而收集的实验数据包括各种材料,例如烷烃,烯烃,芳烃,醇,有机酸以及氯,碘,硫,氮和含氟化合物,其组成范围为0至100摩尔百分比,温度介于116 K和393 K之间。对于20种有关83种二元混合物的数据点,获得的最精确网络的平均绝对相对偏差(AARD)为1.75%。

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