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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2018
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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. |
format | Online Article Text |
id | pubmed-6414839 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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