Generalized random phase approximation method for phase separation of polymer melt

Takashi Honda; Toshihiro Kawakatsu

Generalized random phase approximation method for phase separation of polymer melt

SCI - Physics

Research output: Contribution to conference › Paper › peer-review

Abstract

We develope a dynamical TDGL simulation method using the RPA approximation. This method is based on linear operations and the expression of the free energy of the system is more accurate and simple than the recently proposed generalized Ohta-Kawasaki theory. Melts of any blends of polymers with arbitrary architectures can be simulated using this theory. As the numerical simulations using this method is faster than the standard SCF simulations, our method can be used to produce an initial guess of the phase separated structures for the SCF simulation. A 3D hexiagonally packed cylinder structure is successfully reproduced using this method.

Original language	English
Number of pages	1
Publication status	Published - 2005 Dec 1
Event	54th SPSJ Annual Meeting 2005 - Yokohama, Japan Duration: 2005 May 25 → 2005 May 27

Other

Other	54th SPSJ Annual Meeting 2005
Country	Japan
City	Yokohama
Period	05/5/25 → 05/5/27

Keywords

Block copolymer
Density functional theory
Hexagonally packed cylinder structure
Micro phase separation
Random phase approximation
Time dependent Ginzburg Landau theory

ASJC Scopus subject areas

Engineering(all)

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Cite this

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title = "Generalized random phase approximation method for phase separation of polymer melt",

abstract = "We develope a dynamical TDGL simulation method using the RPA approximation. This method is based on linear operations and the expression of the free energy of the system is more accurate and simple than the recently proposed generalized Ohta-Kawasaki theory. Melts of any blends of polymers with arbitrary architectures can be simulated using this theory. As the numerical simulations using this method is faster than the standard SCF simulations, our method can be used to produce an initial guess of the phase separated structures for the SCF simulation. A 3D hexiagonally packed cylinder structure is successfully reproduced using this method.",

keywords = "Block copolymer, Density functional theory, Hexagonally packed cylinder structure, Micro phase separation, Random phase approximation, Time dependent Ginzburg Landau theory",

author = "Takashi Honda and Toshihiro Kawakatsu",

year = "2005",

month = dec,

day = "1",

language = "English",

note = "54th SPSJ Annual Meeting 2005 ; Conference date: 25-05-2005 Through 27-05-2005",

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AU - Honda, Takashi

AU - Kawakatsu, Toshihiro

PY - 2005/12/1

Y1 - 2005/12/1

N2 - We develope a dynamical TDGL simulation method using the RPA approximation. This method is based on linear operations and the expression of the free energy of the system is more accurate and simple than the recently proposed generalized Ohta-Kawasaki theory. Melts of any blends of polymers with arbitrary architectures can be simulated using this theory. As the numerical simulations using this method is faster than the standard SCF simulations, our method can be used to produce an initial guess of the phase separated structures for the SCF simulation. A 3D hexiagonally packed cylinder structure is successfully reproduced using this method.

AB - We develope a dynamical TDGL simulation method using the RPA approximation. This method is based on linear operations and the expression of the free energy of the system is more accurate and simple than the recently proposed generalized Ohta-Kawasaki theory. Melts of any blends of polymers with arbitrary architectures can be simulated using this theory. As the numerical simulations using this method is faster than the standard SCF simulations, our method can be used to produce an initial guess of the phase separated structures for the SCF simulation. A 3D hexiagonally packed cylinder structure is successfully reproduced using this method.

KW - Block copolymer

KW - Density functional theory

KW - Hexagonally packed cylinder structure

KW - Micro phase separation

KW - Random phase approximation

KW - Time dependent Ginzburg Landau theory

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T2 - 54th SPSJ Annual Meeting 2005

Y2 - 25 May 2005 through 27 May 2005

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