Computer simulations of phase separations in surfactant solutions

Toshihiro Kawakatsu

doi:10.1080/08927029608024060

Computer simulations of phase separations in surfactant solutions

Toshihiro Kawakatsu

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

1 Citation (Scopus)

Abstract

We investigate formation processes of complex domain structures in a phase separating binary mixture containing surfactant (amphiphilic molecules) with the use of the author's hybrid approach, where a molecular description and a continuum description are combined. We emphasize the importance of several molecular degrees of freedom of the surfactant molecule, when a macromolecular block copolymer is used as a surfactant. Relation of our hybrid approach to more microscopic approaches using fully molecular descriptions and to macroscopic approaches using fully continuum descriptions is discussed.

Original language	English
Pages (from-to)	47-57
Number of pages	11
Journal	Molecular Simulation
Volume	16
Issue number	1-3
DOIs	https://doi.org/10.1080/08927029608024060
Publication status	Published - 1996
Externally published	Yes

Keywords

Amphiphilic molecule
Block copolymer
Computer simulation
Phase separation
Surfactant

ASJC Scopus subject areas

Chemistry(all)
Information Systems
Modelling and Simulation
Chemical Engineering(all)
Materials Science(all)
Condensed Matter Physics

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10.1080/08927029608024060

Cite this

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title = "Computer simulations of phase separations in surfactant solutions",

abstract = "We investigate formation processes of complex domain structures in a phase separating binary mixture containing surfactant (amphiphilic molecules) with the use of the author's hybrid approach, where a molecular description and a continuum description are combined. We emphasize the importance of several molecular degrees of freedom of the surfactant molecule, when a macromolecular block copolymer is used as a surfactant. Relation of our hybrid approach to more microscopic approaches using fully molecular descriptions and to macroscopic approaches using fully continuum descriptions is discussed.",

keywords = "Amphiphilic molecule, Block copolymer, Computer simulation, Phase separation, Surfactant",

author = "Toshihiro Kawakatsu",

note = "Funding Information: The author would like to thank T. Ohta for valuable discussions on the continuum model described in section 4. The present article is in part based on the recent collaborations with K. Kawasaki (Kyushu Univ.), M. Furusaka (KEK-BSF), H. Okabayashi (Nagoya Inst. Tech.) and T. Kanaya (Inst. Chem. Res., Kyoto Univ.). Computer simulations were performed at the computer centers of National Laboratory for High Energy Physics (KEK), Institute for Molecular Science, and Kyushu University. This work is partially supported by the Scientific Research Fund of the Ministry of Education, Science and Culture of Japan.",

year = "1996",

doi = "10.1080/08927029608024060",

language = "English",

volume = "16",

pages = "47--57",

journal = "Molecular Simulation",

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PY - 1996

Y1 - 1996

N2 - We investigate formation processes of complex domain structures in a phase separating binary mixture containing surfactant (amphiphilic molecules) with the use of the author's hybrid approach, where a molecular description and a continuum description are combined. We emphasize the importance of several molecular degrees of freedom of the surfactant molecule, when a macromolecular block copolymer is used as a surfactant. Relation of our hybrid approach to more microscopic approaches using fully molecular descriptions and to macroscopic approaches using fully continuum descriptions is discussed.

AB - We investigate formation processes of complex domain structures in a phase separating binary mixture containing surfactant (amphiphilic molecules) with the use of the author's hybrid approach, where a molecular description and a continuum description are combined. We emphasize the importance of several molecular degrees of freedom of the surfactant molecule, when a macromolecular block copolymer is used as a surfactant. Relation of our hybrid approach to more microscopic approaches using fully molecular descriptions and to macroscopic approaches using fully continuum descriptions is discussed.

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KW - Block copolymer

KW - Computer simulation

KW - Phase separation

KW - Surfactant

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JF - Molecular Simulation

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Computer simulations of phase separations in surfactant solutions

Abstract

Keywords

ASJC Scopus subject areas

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