A Monte Carlo simulation of asymmetric random copolymers at an immiscible interface

Grant D. Smith; Thomas P. Russell; Ravi Kulasekere; John F. Ankner; Helmut Kaiser

doi:10.1021/ma951515r

A Monte Carlo simulation of asymmetric random copolymers at an immiscible interface

Grant D. Smith, Thomas P. Russell, Ravi Kulasekere, John F. Ankner, Helmut Kaiser

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16 Scopus citations

Abstract

The distribution of a random copolymer P(A_f-r-B_1-f) at the interface between immiscible A and B phases as a function of the copolymer composition, denoted by the fraction f of A monomers, and as a function of the monomer-monomer interactions, or χ values, has been studied via lattice Monte Carlo simulations. A symmetric distribution of the copolymer was found for compositionally symmetric chains (f = 0.5) when the χ values were independent of the copolymer composition. In contrast, an asymmetric distribution of the copolymer was found for a compositionally asymmetric copolymer (f = 2/3) with composition-independent χ values. It was found that a symmetric distribution of the compositionally asymmetric copolymer can result only when the χ values are allowed to depend upon the copolymer composition. Such a symmetric distribution of a compositionally asymmetric copolymer is in qualitative agreement with miscibility, neutron reflectivity, and adhesion studies of polystyrene/poly(methyl methacrylate) systems.

Original language	English
Pages (from-to)	4120-4124
Number of pages	5
Journal	Macromolecules
Volume	29
Issue number	11
DOIs	https://doi.org/10.1021/ma951515r
State	Published - May 20 1996
Externally published	Yes

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title = "A Monte Carlo simulation of asymmetric random copolymers at an immiscible interface",

abstract = "The distribution of a random copolymer P(Af-r-B1-f) at the interface between immiscible A and B phases as a function of the copolymer composition, denoted by the fraction f of A monomers, and as a function of the monomer-monomer interactions, or χ values, has been studied via lattice Monte Carlo simulations. A symmetric distribution of the copolymer was found for compositionally symmetric chains (f = 0.5) when the χ values were independent of the copolymer composition. In contrast, an asymmetric distribution of the copolymer was found for a compositionally asymmetric copolymer (f = 2/3) with composition-independent χ values. It was found that a symmetric distribution of the compositionally asymmetric copolymer can result only when the χ values are allowed to depend upon the copolymer composition. Such a symmetric distribution of a compositionally asymmetric copolymer is in qualitative agreement with miscibility, neutron reflectivity, and adhesion studies of polystyrene/poly(methyl methacrylate) systems.",

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doi = "10.1021/ma951515r",

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T1 - A Monte Carlo simulation of asymmetric random copolymers at an immiscible interface

AU - Smith, Grant D.

AU - Russell, Thomas P.

AU - Kulasekere, Ravi

AU - Ankner, John F.

AU - Kaiser, Helmut

PY - 1996/5/20

Y1 - 1996/5/20

N2 - The distribution of a random copolymer P(Af-r-B1-f) at the interface between immiscible A and B phases as a function of the copolymer composition, denoted by the fraction f of A monomers, and as a function of the monomer-monomer interactions, or χ values, has been studied via lattice Monte Carlo simulations. A symmetric distribution of the copolymer was found for compositionally symmetric chains (f = 0.5) when the χ values were independent of the copolymer composition. In contrast, an asymmetric distribution of the copolymer was found for a compositionally asymmetric copolymer (f = 2/3) with composition-independent χ values. It was found that a symmetric distribution of the compositionally asymmetric copolymer can result only when the χ values are allowed to depend upon the copolymer composition. Such a symmetric distribution of a compositionally asymmetric copolymer is in qualitative agreement with miscibility, neutron reflectivity, and adhesion studies of polystyrene/poly(methyl methacrylate) systems.

AB - The distribution of a random copolymer P(Af-r-B1-f) at the interface between immiscible A and B phases as a function of the copolymer composition, denoted by the fraction f of A monomers, and as a function of the monomer-monomer interactions, or χ values, has been studied via lattice Monte Carlo simulations. A symmetric distribution of the copolymer was found for compositionally symmetric chains (f = 0.5) when the χ values were independent of the copolymer composition. In contrast, an asymmetric distribution of the copolymer was found for a compositionally asymmetric copolymer (f = 2/3) with composition-independent χ values. It was found that a symmetric distribution of the compositionally asymmetric copolymer can result only when the χ values are allowed to depend upon the copolymer composition. Such a symmetric distribution of a compositionally asymmetric copolymer is in qualitative agreement with miscibility, neutron reflectivity, and adhesion studies of polystyrene/poly(methyl methacrylate) systems.

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U2 - 10.1021/ma951515r

DO - 10.1021/ma951515r

M3 - Article

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SN - 0024-9297

VL - 29

SP - 4120

EP - 4124

JO - Macromolecules

JF - Macromolecules

IS - 11

ER -

A Monte Carlo simulation of asymmetric random copolymers at an immiscible interface

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