期刊
JOURNAL OF COATINGS TECHNOLOGY AND RESEARCH
卷 9, 期 3, 页码 279-286出版社
SPRINGER
DOI: 10.1007/s11998-011-9364-8
关键词
Polymer solubility; Solubility parameter; Molecular simulation; Radius of gyration
In this article, systematic calculation of the radius of gyration (R (g)) of a block copolymer immersed in various solvents is presented. Using atomistically detailed, molecular dynamics computer simulations, we carry out the calculation of R (g) at different polymerization degrees, for each solvent. Our results show that, given a solvent and a polymerization degree, R (g) can display different values. This aspect is found to be a consequence of the spatial conformation of the constitutive blocks that make up the polymer molecule. Finally, we find that there exists a correlation between R (g) and the solubility parameter and that the trend in R (g) predicted by our calculations agrees with previous experimental results.
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