Monte Carlo simulations of the phase separation of a copolymer blend in a thin film

Zhexiao Wang; Jing Shao; Heng Pan; Xiaoshuang Feng; Peng Chen; Ru Xia; Xiangsong Wu; Jiasheng Qian

doi:10.1002/cphc.201402690

Monte Carlo simulations of the phase separation of a copolymer blend in a thin film

Zhexiao Wang, Jing Shao, Heng Pan, Xiaoshuang Feng, Peng Chen^*, Ru Xia, Xiangsong Wu, Jiasheng Qian

^*Corresponding author for this work

Physical Sciences and Engineering

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

Monte Carlo simulations were carried out to study the phase separation of a copolymer blend comprising an alternating copolymer and/or block copolymer in a thin film, and a phase diagram was constructed with a series of composed recipes. The effects of composition and segregation strength on phase separation were discussed in detail. The chain conformation of the block copolymer and alternating copolymer were investigated with changes of the segregation strength. Our simulations revealed that the segment distribution along the copolymer chain and the segregation strength between coarse-grained beads are two important parameters controlling phase separation and chain conformation in thin films of a copolymer blend. A well-controlled phase separation in the copolymer blend can be used to fabricate novel nanostructures.

Original language	English (US)
Pages (from-to)	567-571
Number of pages	5
Journal	ChemPhysChem
Volume	16
Issue number	3
DOIs	https://doi.org/10.1002/cphc.201402690
State	Published - Dec 11 2014

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Physical and Theoretical Chemistry

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title = "Monte Carlo simulations of the phase separation of a copolymer blend in a thin film",

abstract = "Monte Carlo simulations were carried out to study the phase separation of a copolymer blend comprising an alternating copolymer and/or block copolymer in a thin film, and a phase diagram was constructed with a series of composed recipes. The effects of composition and segregation strength on phase separation were discussed in detail. The chain conformation of the block copolymer and alternating copolymer were investigated with changes of the segregation strength. Our simulations revealed that the segment distribution along the copolymer chain and the segregation strength between coarse-grained beads are two important parameters controlling phase separation and chain conformation in thin films of a copolymer blend. A well-controlled phase separation in the copolymer blend can be used to fabricate novel nanostructures.",

author = "Zhexiao Wang and Jing Shao and Heng Pan and Xiaoshuang Feng and Peng Chen and Ru Xia and Xiangsong Wu and Jiasheng Qian",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: This work was supported by the National Natural Science Foundation of China (Nos. 20974001, 21174001, 51273001, and 51403001), {"}211 Project{"} {"}Incubation Fund for Excellent Young Researcher{"} of Anhui University, and the Anhui Province Institute of High Performance Rubber Materials and Products.",

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T1 - Monte Carlo simulations of the phase separation of a copolymer blend in a thin film

AU - Wang, Zhexiao

AU - Shao, Jing

AU - Pan, Heng

AU - Feng, Xiaoshuang

AU - Chen, Peng

AU - Xia, Ru

AU - Wu, Xiangsong

AU - Qian, Jiasheng

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: This work was supported by the National Natural Science Foundation of China (Nos. 20974001, 21174001, 51273001, and 51403001), "211 Project" "Incubation Fund for Excellent Young Researcher" of Anhui University, and the Anhui Province Institute of High Performance Rubber Materials and Products.

PY - 2014/12/11

Y1 - 2014/12/11

N2 - Monte Carlo simulations were carried out to study the phase separation of a copolymer blend comprising an alternating copolymer and/or block copolymer in a thin film, and a phase diagram was constructed with a series of composed recipes. The effects of composition and segregation strength on phase separation were discussed in detail. The chain conformation of the block copolymer and alternating copolymer were investigated with changes of the segregation strength. Our simulations revealed that the segment distribution along the copolymer chain and the segregation strength between coarse-grained beads are two important parameters controlling phase separation and chain conformation in thin films of a copolymer blend. A well-controlled phase separation in the copolymer blend can be used to fabricate novel nanostructures.

AB - Monte Carlo simulations were carried out to study the phase separation of a copolymer blend comprising an alternating copolymer and/or block copolymer in a thin film, and a phase diagram was constructed with a series of composed recipes. The effects of composition and segregation strength on phase separation were discussed in detail. The chain conformation of the block copolymer and alternating copolymer were investigated with changes of the segregation strength. Our simulations revealed that the segment distribution along the copolymer chain and the segregation strength between coarse-grained beads are two important parameters controlling phase separation and chain conformation in thin films of a copolymer blend. A well-controlled phase separation in the copolymer blend can be used to fabricate novel nanostructures.

UR - http://hdl.handle.net/10754/563919

UR - http://doi.wiley.com/10.1002/cphc.201402690

UR - http://www.scopus.com/inward/record.url?scp=84920053843&partnerID=8YFLogxK

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DO - 10.1002/cphc.201402690

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SN - 1439-4235

VL - 16

SP - 567

EP - 571

JO - ChemPhysChem

JF - ChemPhysChem

IS - 3

ER -

Monte Carlo simulations of the phase separation of a copolymer blend in a thin film

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ASJC Scopus subject areas

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