Identifying a critical micelle temperature in simulations of disordered asymmetric diblock copolymer melts

Anshul Chawla; Frank S. Bates; Kevin D. Dorfman; David C. Morse

doi:10.1103/physrevmaterials.5.l092601

Identifying a critical micelle temperature in simulations of disordered asymmetric diblock copolymer melts

Anshul Chawla, Frank S. Bates, Kevin D. Dorfman, David C. Morse

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Abstract

Experiments on asymmetric diblock copolymers at temperatures slightly above the order-disorder transition (ODT) temperature indicate the existence of a dense fluid of micelles. Molecular dynamics simulations are used here to identify a higher critical micelle temperature below which micelles appear. The onset of micellization occurs very near where self-consistent field theory predicts an ODT.

Original language	English (US)
Article number	L092601
Journal	Physical Review Materials
Volume	5
Issue number	9
DOIs	https://doi.org/10.1103/physrevmaterials.5.l092601
State	Published - Sep 9 2021

Bibliographical note

Funding Information:
This work was supported primarily by NSF Grant No. DMR-1719692, using computational resources provided by the Minnesota Supercomputing Institute (MSI) at the University of Minnesota. Part of this work was carried out with equipment supported by funding from the National Science Foundation through the UMN MRSEC under Award No. DMR-2011401.

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© 2021 American Physical Society.

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title = "Identifying a critical micelle temperature in simulations of disordered asymmetric diblock copolymer melts",

abstract = "Experiments on asymmetric diblock copolymers at temperatures slightly above the order-disorder transition (ODT) temperature indicate the existence of a dense fluid of micelles. Molecular dynamics simulations are used here to identify a higher critical micelle temperature below which micelles appear. The onset of micellization occurs very near where self-consistent field theory predicts an ODT.",

author = "Anshul Chawla and Bates, {Frank S.} and Dorfman, {Kevin D.} and Morse, {David C.}",

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AU - Bates, Frank S.

AU - Dorfman, Kevin D.

AU - Morse, David C.

N1 - Funding Information: This work was supported primarily by NSF Grant No. DMR-1719692, using computational resources provided by the Minnesota Supercomputing Institute (MSI) at the University of Minnesota. Part of this work was carried out with equipment supported by funding from the National Science Foundation through the UMN MRSEC under Award No. DMR-2011401. Publisher Copyright: © 2021 American Physical Society.

PY - 2021/9/9

Y1 - 2021/9/9

N2 - Experiments on asymmetric diblock copolymers at temperatures slightly above the order-disorder transition (ODT) temperature indicate the existence of a dense fluid of micelles. Molecular dynamics simulations are used here to identify a higher critical micelle temperature below which micelles appear. The onset of micellization occurs very near where self-consistent field theory predicts an ODT.

AB - Experiments on asymmetric diblock copolymers at temperatures slightly above the order-disorder transition (ODT) temperature indicate the existence of a dense fluid of micelles. Molecular dynamics simulations are used here to identify a higher critical micelle temperature below which micelles appear. The onset of micellization occurs very near where self-consistent field theory predicts an ODT.

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Identifying a critical micelle temperature in simulations of disordered asymmetric diblock copolymer melts

Abstract

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Identifying a critical micelle temperature in simulations of disordered asymmetric diblock copolymer melts

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