Solubility of small molecules and their mixtures in polyethylene

Authors
Nath, SK de Pablo, JJ
Citation
Sk. Nath et Jj. De Pablo, Solubility of small molecules and their mixtures in polyethylene, J PHYS CH B, 103(18), 1999, pp. 3539-3544
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
103
Issue
18
Year of publication
1999
Pages
3539 - 3544
Database
ISI
SICI code
1520-6106(19990506)103:18<3539:SOSMAT>2.0.ZU;2-E
Abstract
The solubility of small molecules and their mixtures in polyethylene is stu died using a recently proposed united atom force field.(1) By comparing the simulation results with experimental data on solubility of small molecules in semicrystalline polyethylene, it is found that crystallinity can severe ly effect the solubility of a solute, especially if it is highly soluble in the polymer of interest. It is also observed that small molecules form agg regates within the polymer in the liquid phase.