Quantitative Structure-Property Relationship on Prediction of Surface Tension of Nonionic Surfactant

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A quantitative structure-property relationship (QSPR) study has been made for the prediction of the surface tension of nonionic surfactants in aqueous solution.The regressed model includes a topological descriptor,the Kier & Hall index of zero order (KH0) of the hydrophobic segment of surfactant and a quantum chemical one,the heat of formation () of surfactant molecules.The established general QSPR between the surface tension and the descriptors produces a correlation coefficient of multiple determination,=0.9877,for 30 studied nonionic surfactants.
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