title: Accuracy of empirical correlations for estimating diffusion coefficients in aqueous organic mixtures.
abstract: Diffusion coefficients for a homologous series of alkylbenzenes and alkylphenones have been measured by the Aris-Taylor open tube method from 30 to 60 degrees C over a wide range in methanol/water and acetonitrile/water compositions (10-100% by volume of organic). The measurements were compared to estimates derived from five of the most common empirical correlations. The errors for methanolic mixtures by the Wilke-Chang, Scheibel, and Lusis-Ratcliff correlations are usually less than 20%. The Scheibel, Wilke-Chang, and Hayduk-Laudie correlations work better than others for acetonitrile/water mixtures. Overall, the Scheibel correlation shows the smallest errors, and we recommend its use to that of the more widely used Wilke-Chang method for the systems studied here. We have also developed fitting equations for estimating viscosity so that the diffusion coefficients can be easily estimated.
authors.affiliation: Department of Chemistry, University of Minnesota, Minneapolis 55455, USA.
authors.forename: J
authors.initials: J
authors.lastname: Li
authors.forename: P W
authors.initials: PW
authors.lastname: Carr
mesh_terms: D000098:Acetophenones / Q000737:chemistry; D000478:Alkylation; D001555:Benzene Derivatives / Q000737:chemistry*; D004058:Diffusion; D007659:Ketones / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry*; D013696:Temperature; D014783:Viscosity
chemical_list: D000098:Acetophenones; D001555:Benzene Derivatives; D007659:Ketones; D012997:Solvents; C038699:acetophenone