Monte Carlo simulation of phase behavior of polymer blends with special interactions

Citation
W. Jiang et al., Monte Carlo simulation of phase behavior of polymer blends with special interactions, MACROMOL TH, 10(8), 2001, pp. 750-755
Citations number
36
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
MACROMOLECULAR THEORY AND SIMULATIONS
ISSN journal
10221344 → ACNP
Volume
10
Issue
8
Year of publication
2001
Pages
750 - 755
Database
ISI
SICI code
1022-1344(20011017)10:8<750:MCSOPB>2.0.ZU;2-G
Abstract
Full Paper: The phase, behavior of A-B-random copolymer/C-homopolymer, blen ds with special interaction was studied by a. Monte, Carlo simulation in tw o dimensions. The interaction between I segment A and segment C was repulsi ve, whereas it was attractive between segment B and segment C. The simulati on results showed that the blend became two large co-continuous phase domai ns at lower segment-B component compositions, indicating that the blend sho wed spinodal decomposition. With an increase of the segment-B component, th e miscibility between the copolymer,and the polymer was gradually improved up to being miscible. In addition, it was found that segment B tended to mo ve to the surface of the copolymer phase in the case of a lower component o f segment B. On the other hand, if was observed that the average, end-to-en d distances ((h) over bar) for both copolymer and polymer changed slowly wi th increasing segment-B component of the copolymer up to 40%, thereafter th ey increased considerably with increasing segment B component. Moreover, it was found that the (h) over bar of the copolymer was obviously shorter tha n that of the homopolymer for the segment-B composition, region from 0% to 80%. Finally, a, phase diagram showing I phase and - II phase regions under the condition of constant-temperature is presented.