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Surface-Induced Nanostructures and Phase Diagrams of ABC Linear Triblock Copolymers under Spherical Confinement: A Self-Consistent Field Theory Simulation

We investigate the nanostructures and phase diagrams of ABC linear triblock copolymers confined in spherical cavities by using real-space self-consistent field theory. Various 3D morphologies, such as spherical concentric lamellae, dumbbell-like cylinder, and rotational structures, are identified in...

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Detalles Bibliográficos
Autores principales: Wu, Ji, Huang, Zhihong, Lang, Wenchang, Wang, Xianghong, Li, Shiben
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6401785/
https://www.ncbi.nlm.nih.gov/pubmed/30961201
http://dx.doi.org/10.3390/polym10111276
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author Wu, Ji
Huang, Zhihong
Lang, Wenchang
Wang, Xianghong
Li, Shiben
author_facet Wu, Ji
Huang, Zhihong
Lang, Wenchang
Wang, Xianghong
Li, Shiben
author_sort Wu, Ji
collection PubMed
description We investigate the nanostructures and phase diagrams of ABC linear triblock copolymers confined in spherical cavities by using real-space self-consistent field theory. Various 3D morphologies, such as spherical concentric lamellae, dumbbell-like cylinder, and rotational structures, are identified in the phase diagrams, which are constructed on the basis of the diameters of spherical cavities and the interaction between the polymers and preferential surfaces. We designate specific monomer-monomer interactions and block compositions, with which the polymers spontaneously form a cylindrical morphology in bulk, and firstly study morphology transformation with a neutral surface when a confining radius progressively increases. We then focus on phase morphologies under the preferential surfaces and consolidate them into phase diagrams. The spherical radius and the degree of preferential interactions can obviously induce the formation of a cylindrical morphology. Theoretical results correspond to an amount of recent experimental observations to a high degree and contribute to synthesising functional materials.
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spelling pubmed-64017852019-04-02 Surface-Induced Nanostructures and Phase Diagrams of ABC Linear Triblock Copolymers under Spherical Confinement: A Self-Consistent Field Theory Simulation Wu, Ji Huang, Zhihong Lang, Wenchang Wang, Xianghong Li, Shiben Polymers (Basel) Article We investigate the nanostructures and phase diagrams of ABC linear triblock copolymers confined in spherical cavities by using real-space self-consistent field theory. Various 3D morphologies, such as spherical concentric lamellae, dumbbell-like cylinder, and rotational structures, are identified in the phase diagrams, which are constructed on the basis of the diameters of spherical cavities and the interaction between the polymers and preferential surfaces. We designate specific monomer-monomer interactions and block compositions, with which the polymers spontaneously form a cylindrical morphology in bulk, and firstly study morphology transformation with a neutral surface when a confining radius progressively increases. We then focus on phase morphologies under the preferential surfaces and consolidate them into phase diagrams. The spherical radius and the degree of preferential interactions can obviously induce the formation of a cylindrical morphology. Theoretical results correspond to an amount of recent experimental observations to a high degree and contribute to synthesising functional materials. MDPI 2018-11-16 /pmc/articles/PMC6401785/ /pubmed/30961201 http://dx.doi.org/10.3390/polym10111276 Text en © 2018 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Wu, Ji
Huang, Zhihong
Lang, Wenchang
Wang, Xianghong
Li, Shiben
Surface-Induced Nanostructures and Phase Diagrams of ABC Linear Triblock Copolymers under Spherical Confinement: A Self-Consistent Field Theory Simulation
title Surface-Induced Nanostructures and Phase Diagrams of ABC Linear Triblock Copolymers under Spherical Confinement: A Self-Consistent Field Theory Simulation
title_full Surface-Induced Nanostructures and Phase Diagrams of ABC Linear Triblock Copolymers under Spherical Confinement: A Self-Consistent Field Theory Simulation
title_fullStr Surface-Induced Nanostructures and Phase Diagrams of ABC Linear Triblock Copolymers under Spherical Confinement: A Self-Consistent Field Theory Simulation
title_full_unstemmed Surface-Induced Nanostructures and Phase Diagrams of ABC Linear Triblock Copolymers under Spherical Confinement: A Self-Consistent Field Theory Simulation
title_short Surface-Induced Nanostructures and Phase Diagrams of ABC Linear Triblock Copolymers under Spherical Confinement: A Self-Consistent Field Theory Simulation
title_sort surface-induced nanostructures and phase diagrams of abc linear triblock copolymers under spherical confinement: a self-consistent field theory simulation
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6401785/
https://www.ncbi.nlm.nih.gov/pubmed/30961201
http://dx.doi.org/10.3390/polym10111276
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