Predicting surface tension of liquid organic solvents

Citation
E. Egemen et al., Predicting surface tension of liquid organic solvents, ENV SCI TEC, 34(12), 2000, pp. 2596-2600
Citations number
11
Categorie Soggetti
Environment/Ecology,"Environmental Engineering & Energy
Journal title
ENVIRONMENTAL SCIENCE & TECHNOLOGY
ISSN journal
0013936X → ACNP
Volume
34
Issue
12
Year of publication
2000
Pages
2596 - 2600
Database
ISI
SICI code
0013-936X(20000615)34:12<2596:PSTOLO>2.0.ZU;2-D
Abstract
A group contribution method is proposed to predict surface tension of liqui d organic solvents. The proposed model is developed from a training set of 349 chemicals and validated with an external testing set of 44 chemicals. F or the training set, the experimental surface tension values and the values fitted by this model agreed well with r(2) = 0.75 at p = 0.0001. The predi ctions of this model for the external testing set of 44 chemicals were with in an average factor of error of 1.07 showing good agreement between experi mental and predicted values with r(2) = 0.89 at p = 0.0001. A comparison of the model developed in this study against five other empirical models repo rted in the literature is also presented.