Computer simulation of copolymer phase behavior

Andrew J. Schultz; Carol K. Hall; Jan Genzer

doi:10.1063/1.1519839

Computer simulation of copolymer phase behavior

Andrew J. Schultz
, Carol K. Hall
, Jan Genzer

Department of Chemical and Biological Engineering

University at Buffalo

North Carolina State University

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

77 Scopus citations

Abstract

Discontinuous molecular dynamics simulations of copolymers of varying chain length and volume fraction at different values of χ and different packing fractions were performed. These simulations were used to locate (_χN)_ODT for symmetric copolymers. The properties of the symmetric copolymer systems were also examined. Overall, the results aid in the development of theories of block copolymer phase behavior that are better able to account for the effects of finite chain length.

Original language	English
Pages (from-to)	10329-10338
Number of pages	10
Journal	Journal of Chemical Physics
Volume	117
Issue number	22
DOIs	https://doi.org/10.1063/1.1519839
State	Published - Dec 8 2002

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10.1063/1.1519839

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@article{8a6483fbc9e848e9ae584e04ee71bd94,

title = "Computer simulation of copolymer phase behavior",

abstract = "Discontinuous molecular dynamics simulations of copolymers of varying chain length and volume fraction at different values of χ and different packing fractions were performed. These simulations were used to locate (χN)ODT for symmetric copolymers. The properties of the symmetric copolymer systems were also examined. Overall, the results aid in the development of theories of block copolymer phase behavior that are better able to account for the effects of finite chain length.",

author = "Schultz, \{Andrew J.\} and Hall, \{Carol K.\} and Jan Genzer",

year = "2002",

month = dec,

day = "8",

doi = "10.1063/1.1519839",

language = "English",

volume = "117",

pages = "10329--10338",

journal = "Journal of Chemical Physics",

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T1 - Computer simulation of copolymer phase behavior

AU - Schultz, Andrew J.

AU - Hall, Carol K.

AU - Genzer, Jan

PY - 2002/12/8

Y1 - 2002/12/8

N2 - Discontinuous molecular dynamics simulations of copolymers of varying chain length and volume fraction at different values of χ and different packing fractions were performed. These simulations were used to locate (χN)ODT for symmetric copolymers. The properties of the symmetric copolymer systems were also examined. Overall, the results aid in the development of theories of block copolymer phase behavior that are better able to account for the effects of finite chain length.

AB - Discontinuous molecular dynamics simulations of copolymers of varying chain length and volume fraction at different values of χ and different packing fractions were performed. These simulations were used to locate (χN)ODT for symmetric copolymers. The properties of the symmetric copolymer systems were also examined. Overall, the results aid in the development of theories of block copolymer phase behavior that are better able to account for the effects of finite chain length.

UR - https://www.scopus.com/pages/publications/0037045185

U2 - 10.1063/1.1519839

DO - 10.1063/1.1519839

M3 - Article

SN - 0021-9606

VL - 117

SP - 10329

EP - 10338

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 22

ER -

Computer simulation of copolymer phase behavior

Abstract

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