Phase behavior of ABC triblock terpolymers in thin films: mesoscale simulations

Ludwigs, S., Krausch, G., Magerle, R. , Zvelindovsky, Andrei and Sevink, G. J. A. (2005) Phase behavior of ABC triblock terpolymers in thin films: mesoscale simulations. Macromolecules, 38 (5). pp. 1859-1867. ISSN 0024-9297

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Phase behavior of ABC triblock terpolymers in thin films: Mesoscale simulations

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Microphase separation and morphology of thin films of ABC triblock terpolymers are studied with a self-consistent-field theory. Thin films of poly(styrene)-block-poly(2-vinylpyridine)-block-poly(fertbutyl methacrylate) (SVT) triblock terpolymers are modeled as A3B4C 12 Gaussian chains confined in a slit. The bulk morphologies are found to be much more robust with respect to the interaction parameters when compared to the morphologies in the confined situation. By adjusting the interaction parameters between the polymer components and the surfaces, we can model the experimentally observed sequence of surface structures as a function of the film thickness. At well-defined film thicknesses a highly ordered perforated lamella structure is observed. We systematically explore the influence of film thickness, surface field, and the interaction parameters between the different polymer components on the phase behavior. © 2005 American Chemical Society.

Keywords:Composition, Computer simulation, Interfaces (materials), Masks, Molecular orientation, Molecular structure, Morphology, Phase separation, Polystyrenes, Quantum electronics, Terpolymers, Thin films, Microdomain structures, Microphase separation, Surface reconstructions, Triblock terpolymers, Plastic films
Subjects:F Physical Sciences > F162 Polymer Chemistry
Divisions:College of Science > School of Mathematics and Physics
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ID Code:14984
Deposited On:02 Oct 2014 08:45

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