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Predicting Surfactant Cloud Point from Molecular Structure
Journal article   Peer reviewed

Predicting Surfactant Cloud Point from Molecular Structure

Paul D.T. Huibers, Dinesh O. Shah and Alan R. Katritzky
Journal of colloid and interface science, Vol.193(1), pp.132-136
01/09/1997
PMID: 9299098

Abstract

cloud point CODESSA information-theoretical indices nonionic surfactant QSPR quantitative structure–property relationships topological indices
A general empirical relationship has been developed for estimating the cloud point of pure nonionic surfactants of the alkyl ethoxylate class. For a set of 62 structures, composed of linear alkyl, branched alkyl, cyclic alkyl, and alkylphenyl ethoxylates, cloud points can be estimated to an accuracy of ±6.3°C (3.7°C median error) using the logarithm of the number of ethylene oxide residues and three topological descriptors that account for hydrophobic domain variation.

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