Application of Abraham solvation parameters for surface tension prediction of mono-solvents and solvent mixtures at various temperatures

Abstract

A combined form of the Jouyban-Acree model and the Abraham solvation parameters was used to predict the surface tension of binary and temary solvent mixtures at various temperatures. The new equations have been tested by comparisons with the experimental results for 364 binary and 79 ternary mixtures reported in the literature. After the training procedures, the models were used for the prediction of the surface tension of mixed solvent systems. The mean relative deviations (MRDs) between predicted and experimental surface tensions are used as an accuracy criterion. The overall MRD for binary mixtures was 6.5% and the corresponding value for ternary mixtures was 11.2%. These versions of the models require the experimental surface tension of the mono-solvents as input data. An attempt has been made here to correlate the surface tension of the mono-solvents at various temperatures using Abraham parameters. The model calculates the surface tension with the MRD of 11.0%. A combined version of the models was presented to predict the surface tension of binary and ternary mixtures without using any experimental input data in which the MRDs of 14.6 and 11.7% were obtained. Results show that the addition of solvation parameters may lead to an improvement in the calculated surface tension and show good agreement between theory and experiment. (C) 2012 Elsevier B.V. All rights reserved.