Surface tension correlation for pure polar fluids by a new molecular model and SRK equation of state

Abstract

In this work, a new model based on molecular thermodynamic was presented to correlate the surface tension of pure polar liquids. This model was developed based on the Davis theory. According to this theory, the surface tension is defined as a function of radial distribution function (RDF) and potential function (PF) as well. The proposed model includes three additive terms; hard sphere, dispersion and polar interactions. The RDF of Kolafa equation of state and Dirac delta function as a PF were used for hard sphere interaction. The RDF expression of Xu and Hu was considered for both dispersion and polar interactions. The presented model has two adjustable parameters, size and energy, which were obtained by optimization of an objective function for each pure fluid. This proposed approach was used for 19 pure polar fluids divided into 6 groups; organic acids, alcohols, ketones, ethers, aldehydes, and water. The average absolute deviation percent (AAD%) obtained for 19 fluids are 0.74. Also the surface tension of these 19 fluids was calculated by the use of SRK EOS and Sugden empirical formula in two cases. In case 1, Sugden's Parachor was calculated from Hugill and van Welsenes correlation and in case 2, it was obtained by optimization of an objective function for each component. The values of AAD% are 43.544 and 2.281 for cases 1 and 2, respectively. These results show the new model, which includes two adjustable parameters, can correlate the surface tension of the pure polar liquids with a high accuracy.