Morphology and conformation analysis of self-assembled triblock copolymer melts

Basel Abu-Sharkh; Abdullah Alsunaidi

doi:10.1002/mats.200600014

Morphology and conformation analysis of self-assembled triblock copolymer melts

Basel Abu-Sharkh^*, Abdullah Alsunaidi

^*Corresponding author for this work

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

31 Scopus citations

Abstract

We used the dissipative particle dynamics method to simulate the self-assembly of symmetric triblock copolymers of the type ABA. Depending on the volume fraction of the end blocks f_A, several mesophases including lamellar, perforated lamellar, gyroid, hexagonal cylinders and bcc spherical micelles were obtained. The order-disorder transition (ODT) at f _A = 0.5 was found to be about χN= 19.8. The ODT for the cylindrical mesophase at symmetrical points on the phase diagram had different values, indicating asymmetry in the phase diagram. We were also able to estimate the bridge fraction in the different mesophases. They range from about 0.44 for the lamellar mesophase to about 0.75 for the spherical micelles. Our simulation results are in good agreement with previously reported theoretical calculations and experimental observations.

Original language	English
Pages (from-to)	507-515
Number of pages	9
Journal	Macromolecular Theory and Simulations
Volume	15
Issue number	6
DOIs	https://doi.org/10.1002/mats.200600014
State	Published - 19 Jul 2006

Keywords

Conformation
Copolymer
DPD
Simulation
Triblock

ASJC Scopus subject areas

Condensed Matter Physics
Organic Chemistry
Polymers and Plastics
Inorganic Chemistry
Materials Chemistry

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10.1002/mats.200600014

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abstract = "We used the dissipative particle dynamics method to simulate the self-assembly of symmetric triblock copolymers of the type ABA. Depending on the volume fraction of the end blocks fA, several mesophases including lamellar, perforated lamellar, gyroid, hexagonal cylinders and bcc spherical micelles were obtained. The order-disorder transition (ODT) at f A = 0.5 was found to be about χN= 19.8. The ODT for the cylindrical mesophase at symmetrical points on the phase diagram had different values, indicating asymmetry in the phase diagram. We were also able to estimate the bridge fraction in the different mesophases. They range from about 0.44 for the lamellar mesophase to about 0.75 for the spherical micelles. Our simulation results are in good agreement with previously reported theoretical calculations and experimental observations.",

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author = "Basel Abu-Sharkh and Abdullah Alsunaidi",

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TY - JOUR

T1 - Morphology and conformation analysis of self-assembled triblock copolymer melts

AU - Abu-Sharkh, Basel

AU - Alsunaidi, Abdullah

PY - 2006/7/19

Y1 - 2006/7/19

N2 - We used the dissipative particle dynamics method to simulate the self-assembly of symmetric triblock copolymers of the type ABA. Depending on the volume fraction of the end blocks fA, several mesophases including lamellar, perforated lamellar, gyroid, hexagonal cylinders and bcc spherical micelles were obtained. The order-disorder transition (ODT) at f A = 0.5 was found to be about χN= 19.8. The ODT for the cylindrical mesophase at symmetrical points on the phase diagram had different values, indicating asymmetry in the phase diagram. We were also able to estimate the bridge fraction in the different mesophases. They range from about 0.44 for the lamellar mesophase to about 0.75 for the spherical micelles. Our simulation results are in good agreement with previously reported theoretical calculations and experimental observations.

AB - We used the dissipative particle dynamics method to simulate the self-assembly of symmetric triblock copolymers of the type ABA. Depending on the volume fraction of the end blocks fA, several mesophases including lamellar, perforated lamellar, gyroid, hexagonal cylinders and bcc spherical micelles were obtained. The order-disorder transition (ODT) at f A = 0.5 was found to be about χN= 19.8. The ODT for the cylindrical mesophase at symmetrical points on the phase diagram had different values, indicating asymmetry in the phase diagram. We were also able to estimate the bridge fraction in the different mesophases. They range from about 0.44 for the lamellar mesophase to about 0.75 for the spherical micelles. Our simulation results are in good agreement with previously reported theoretical calculations and experimental observations.

KW - Conformation

KW - Copolymer

KW - DPD

KW - Simulation

KW - Triblock

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DO - 10.1002/mats.200600014

M3 - Article

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JO - Macromolecular Theory and Simulations

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Morphology and conformation analysis of self-assembled triblock copolymer melts

Abstract

Keywords

ASJC Scopus subject areas

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