Interplay Between Microscopic and Macroscopic Phase Separations in Ternary Polymer Melts: Insight from Mesoscale Modelling

0327183 - ÚCHP 2010 RIV NL eng J - Journal Article
Posel, Z. - Lísal, Martin - Brennan, J.K.
Interplay Between Microscopic and Macroscopic Phase Separations in Ternary Polymer Melts: Insight from Mesoscale Modelling.
[Mikrofázová a makrofázová separace pro ternární polymerní taveninu: studie pomocí mesoškálových simulací.]
Fluid Phase Equilibria. Roč. 283, č. 12 (2009), s. 38-48. ISSN 0378-3812. E-ISSN 1879-0224
R&D Projects: GA ČR GA203/08/0094; GA AV ČR 1ET400720507; GA AV ČR KAN400720701
Grant - others:COST(XE) TD0802
Institutional research plan: CEZ:AV0Z40720504
Keywords : diblock copolymers * dissipative particle dynamics * microphase separation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.857, year: 2009

We present a mesoscale computational study of a ternary polymer melt comprising of two immiscible homopolymers A and B, and a symmetric diblock copolymer AB. The system exhibits rich phase behavior such as microphase separations in the copolymer-rich region and macrophase separations in the homopolymer-rich region. We use Dissipative Particle Dynamics (DPD) and Dynamic mean-field Density Functional Theory (DDFT) to predict the phase behavior along a temperature–homopolymer volume fraction isopleth for an A/B/AB mesoscale system that mimics a real system of low molecular weight poly(dimethyl siloxane) (PDMS) and poly(ethyl ethylene) (PEE) homopolymers, and a nearly symmetric PDMS–PEE diblock copolymer.

Článek popisuje studii mikrofázové a makrofázové separace pro ternární polymerní taveninu pomocí mesoškálových simulací.
Permanent Link: http://hdl.handle.net/11104/0174071