Predicting Surfactant Cloud Point from Molecular Structure
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 &plusmn;6.3&deg;C (3.7&deg;C median error) using the logarithm of the number of ethylene oxide residues and three topological descriptors that account for hydrophobic domain variation. Copyright 1997Academic Press
Huibers
PDT
Center for Surface Science and Engineering, University of Florida, Gainesville, Florida, 32611-6005
Shah
DO
Katritzky
AR