Calculating hansen solubility parameters of polymers with genetic algorithms
Article first published online: 26 AUG 2013
Copyright © 2013 Wiley Periodicals, Inc.
Journal of Applied Polymer Science
Volume 131, Issue 1, January 5, 2014
How to Cite
2014), Calculating hansen solubility parameters of polymers with genetic algorithms. J. Appl. Polym. Sci., 131, 39696, doi: 10.1002/app.39696, and (
- Issue published online: 11 OCT 2013
- Article first published online: 26 AUG 2013
- Manuscript Accepted: 20 JUN 2013
- Manuscript Received: 18 JAN 2013
- surfaces and interfaces;
- theory and modeling;
In materials engineering, it is often essential to know what are the best solvents to process any polymer, and employing methods based on Hansen solubility parameters are an effective way to find them. In this work the Hansen solubility parameters of polyether sulfone, lignin, and bitumen have been calculated by an alternative optimization procedure. It has been shown that, by applying an evolutionary strategy to Hansen's correlation method, it is possible to improve the fitting of solubility spheres. Compared with previous calculations, most quality-of-fit parameters are optimized. As a result, the sphere radii are reduced and, except for lignin, at least one of the solubility parameters is considerably changed (by 0.9–1.5 MPa1/2). Shortcomings of the correlation method are also pointed out, such as lack of data quality evaluation on set of solvents and uncertain character for partially solving solvents. At least the former could be handled by a proposed parameter called fill factor. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 39696.