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Microphase Segregation of Diblock Copolymers Studied by the Self-Consistent Field Theory of Scheutjens and Fleer

We used the self-consistent field (SCF) formalism of Scheutjens and Fleer (SF-SCF) to complement existing theoretical investigations on the phase behavior of block copolymer melts. This method employs the freely jointed chain (FJC) model for finite chain length and systematic differences exist compa...

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Autores principales: Mocan, Merve, Kamperman, Marleen, Leermakers, Frans A. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6414839/
https://www.ncbi.nlm.nih.gov/pubmed/30966118
http://dx.doi.org/10.3390/polym10010078
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author Mocan, Merve
Kamperman, Marleen
Leermakers, Frans A. M.
author_facet Mocan, Merve
Kamperman, Marleen
Leermakers, Frans A. M.
author_sort Mocan, Merve
collection PubMed
description We used the self-consistent field (SCF) formalism of Scheutjens and Fleer (SF-SCF) to complement existing theoretical investigations on the phase behavior of block copolymer melts. This method employs the freely jointed chain (FJC) model for finite chain length and systematic differences exist compared to the classical SCF predictions. We focus on the critical and hexagonal (HEX) to lamellar (LAM) phase transition region at intermediate and strong segregations. Chain length (N) dependence of the critical point ([Formula: see text]) was found to be [Formula: see text]. The characteristic spacing (D) of LAM was found as [Formula: see text] at the critical conditions. We present SF-SCF predictions for the phases single gyroid (SG), double gyroid (DG) and hexagonally perforated lamellar (HPL), in the region where HEX and LAM compete. At [Formula: see text] , [Formula: see text]; we found SG and HPL were metastable with respect to LAM or HEX, DG was stable in a narrow region of the asymmetry ratio. In contrast to the latest predictions, at strong segregation [Formula: see text] , DG was found to be metastable. From the structural evolution of HPL, we speculate that this may be an intermediate phase that allows the system to go through various connectivity regimes between minority and majority blocks.
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spelling pubmed-64148392019-04-02 Microphase Segregation of Diblock Copolymers Studied by the Self-Consistent Field Theory of Scheutjens and Fleer Mocan, Merve Kamperman, Marleen Leermakers, Frans A. M. Polymers (Basel) Article We used the self-consistent field (SCF) formalism of Scheutjens and Fleer (SF-SCF) to complement existing theoretical investigations on the phase behavior of block copolymer melts. This method employs the freely jointed chain (FJC) model for finite chain length and systematic differences exist compared to the classical SCF predictions. We focus on the critical and hexagonal (HEX) to lamellar (LAM) phase transition region at intermediate and strong segregations. Chain length (N) dependence of the critical point ([Formula: see text]) was found to be [Formula: see text]. The characteristic spacing (D) of LAM was found as [Formula: see text] at the critical conditions. We present SF-SCF predictions for the phases single gyroid (SG), double gyroid (DG) and hexagonally perforated lamellar (HPL), in the region where HEX and LAM compete. At [Formula: see text] , [Formula: see text]; we found SG and HPL were metastable with respect to LAM or HEX, DG was stable in a narrow region of the asymmetry ratio. In contrast to the latest predictions, at strong segregation [Formula: see text] , DG was found to be metastable. From the structural evolution of HPL, we speculate that this may be an intermediate phase that allows the system to go through various connectivity regimes between minority and majority blocks. MDPI 2018-01-17 /pmc/articles/PMC6414839/ /pubmed/30966118 http://dx.doi.org/10.3390/polym10010078 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
Mocan, Merve
Kamperman, Marleen
Leermakers, Frans A. M.
Microphase Segregation of Diblock Copolymers Studied by the Self-Consistent Field Theory of Scheutjens and Fleer
title Microphase Segregation of Diblock Copolymers Studied by the Self-Consistent Field Theory of Scheutjens and Fleer
title_full Microphase Segregation of Diblock Copolymers Studied by the Self-Consistent Field Theory of Scheutjens and Fleer
title_fullStr Microphase Segregation of Diblock Copolymers Studied by the Self-Consistent Field Theory of Scheutjens and Fleer
title_full_unstemmed Microphase Segregation of Diblock Copolymers Studied by the Self-Consistent Field Theory of Scheutjens and Fleer
title_short Microphase Segregation of Diblock Copolymers Studied by the Self-Consistent Field Theory of Scheutjens and Fleer
title_sort microphase segregation of diblock copolymers studied by the self-consistent field theory of scheutjens and fleer
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6414839/
https://www.ncbi.nlm.nih.gov/pubmed/30966118
http://dx.doi.org/10.3390/polym10010078
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