Simulation and model development for the equation of state of self-assembling nonadditive hard chains

Basel F. Abu-Sharkh; Esam Z. Hamad

doi:10.1021/ma990843e

Simulation and model development for the equation of state of self-assembling nonadditive hard chains

Basel F. Abu-Sharkh, Esam Z. Hamad

King Fahd University of Petroleum & Minerals

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

10 Scopus citations

Abstract

Molecular dynamics simulations for short hard chains interacting with nonadditive size interactions were performed. Different densities and nonadditivities were used. Microphase separation was observed at high density and positive nonadditivity for diblock copolymers but not for alternating copolymers. The equation of state for these chains was also investigated, and a model was developed to predict the compressibility factor.

Original language	English
Pages (from-to)	1345-1350
Number of pages	6
Journal	Macromolecules
Volume	33
Issue number	4
DOIs	https://doi.org/10.1021/ma990843e
State	Published - 2000

ASJC Scopus subject areas

Organic Chemistry
Polymers and Plastics
Inorganic Chemistry
Materials Chemistry

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title = "Simulation and model development for the equation of state of self-assembling nonadditive hard chains",

abstract = "Molecular dynamics simulations for short hard chains interacting with nonadditive size interactions were performed. Different densities and nonadditivities were used. Microphase separation was observed at high density and positive nonadditivity for diblock copolymers but not for alternating copolymers. The equation of state for these chains was also investigated, and a model was developed to predict the compressibility factor.",

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AU - Abu-Sharkh, Basel F.

AU - Hamad, Esam Z.

PY - 2000

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N2 - Molecular dynamics simulations for short hard chains interacting with nonadditive size interactions were performed. Different densities and nonadditivities were used. Microphase separation was observed at high density and positive nonadditivity for diblock copolymers but not for alternating copolymers. The equation of state for these chains was also investigated, and a model was developed to predict the compressibility factor.

AB - Molecular dynamics simulations for short hard chains interacting with nonadditive size interactions were performed. Different densities and nonadditivities were used. Microphase separation was observed at high density and positive nonadditivity for diblock copolymers but not for alternating copolymers. The equation of state for these chains was also investigated, and a model was developed to predict the compressibility factor.

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U2 - 10.1021/ma990843e

DO - 10.1021/ma990843e

M3 - Article

AN - SCOPUS:0033880395

SN - 0024-9297

VL - 33

SP - 1345

EP - 1350

JO - Macromolecules

JF - Macromolecules

IS - 4

ER -

Simulation and model development for the equation of state of self-assembling nonadditive hard chains

Abstract

ASJC Scopus subject areas

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