Corresponding States Method for Evaluation of the Solubility Parameters of Chemical Compounds

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• 作者：Farhad Gharagheizi ; Ali Eslamimanesh ; Mehdi Sattari ; Amir H. Mohammadi ; Dominique Richon
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2012
• 出版时间：March 7, 2012
• 年：2012
• 卷：51
• 期：9
• 页码：3826-3831
• 全文大小：252K
• 年卷期：v.51,no.9(March 7, 2012)
• ISSN：1520-5045

文摘

In this study, our objective is to apply the gene expression programming mathematical algorithm to propose a correlation based on the corresponding states method to determine the solubility parameters of 1641 pure compounds (mostly organic ones) at 298.15 K and atmospheric pressure. The studied compounds are from the 80 chemical families. The parameters of the method include the critical temperature, critical pressure, molecular weight, and acentric factor. Around 1477 solubility parameter data are randomly selected for developing (training + optimization) the correlation, and about 164 data are used for checking its prediction capability. The obtained statistical parameters, including average absolute relative deviation of the results from the applied data (about 6%), show the accuracy of the proposed method along with its simplicity and wide range of applicability.