Citation: Zheng Wu WANG, Gan Zuo LI, Jian Hai MU, Xiao Yi ZHANG, An Jing LOU. Quantitative Structure-Property Relationship on Prediction of Surface Tension of Nonionic Surfactants[J]. Chinese Chemical Letters, ;2002, 13(4): 363-366. shu

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

1.
Key Lab of Colloid and Interface Chemistry for State Education Ministry, Shandong University, Jinan 250100;
2.
Department of Chemistry, Guizhou Normal University, Guiyang 550001;
3.
Langmuir Center for Colloids and Interfaces, Columbia University, NY 10027,U.S.A

Received Date: 19 July 2001

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 (ΔH_f) of surfactant molecules.The established general QSPR between the surface tension and the descriptors produces a correlation coefficient of multiple determination,r²=0.9877,for 30 studied nonionic surfactants.
- Quantitative structure-property relationship,
- surface tension,
- nonionic surfactants
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