Corresponding States Method for Evaluation of the Solubility Parameters of Chemical Compounds
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https://figshare.com/articles/dataset/Corresponding_States_Method_for_Evaluation_of_the_Solubility_Parameters_of_Chemical_Compounds/2542864
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资源简介:
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.
创建时间:
2012-03-07



