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Corresponding states method for evaluation of the solubility parameters of chemical compounds

Abstract : 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.
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https://hal-mines-paristech.archives-ouvertes.fr/hal-00796419
Contributor : Jordane Raisin-Dadre <>
Submitted on : Monday, March 4, 2013 - 10:17:29 AM
Last modification on : Thursday, September 24, 2020 - 5:22:04 PM

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Farhad Gharagheizi, Ali Eslamimanesh, Mehdi Sattari, Amir H. Mohammadi. Corresponding states method for evaluation of the solubility parameters of chemical compounds. Industrial and engineering chemistry research, American Chemical Society, 2012, 51 (9), pp.3826-3831. ⟨10.1021/ie202633m⟩. ⟨hal-00796419⟩

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