Influence of polymer chain connectivity on local composition distribution in miscible polymer blends

D. Bedrov; W. Liu; R. H. Colby

doi:10.1080/14786430802441170

Influence of polymer chain connectivity on local composition distribution in miscible polymer blends

D. Bedrov, W. Liu, R. H. Colby

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

5 Scopus citations

Abstract

Molecular dynamics simulations using a generic bead-necklace model were utilized to investigate the concentration distribution of local environments in model polymer blends. The distribution of effective composition around polymer segments was investigated for different blend scenarios and bulk concentrations. Inter- and intra-molecular contributions to the effective composition are analyzed. The analysis indicates that chain connectivity has significant and non-trivial effects on the distribution of effective composition around a polymer segment. The results of this work are compared with assumptions of several theoretical models that have been commonly used to describe structural and dynamical correlations in miscible polymer blends.

Original language	English (US)
Pages (from-to)	3979-3989
Number of pages	11
Journal	Philosophical Magazine
Volume	88
Issue number	33-35
DOIs	https://doi.org/10.1080/14786430802441170
State	Published - Nov 2008

All Science Journal Classification (ASJC) codes

Condensed Matter Physics

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10.1080/14786430802441170

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title = "Influence of polymer chain connectivity on local composition distribution in miscible polymer blends",

abstract = "Molecular dynamics simulations using a generic bead-necklace model were utilized to investigate the concentration distribution of local environments in model polymer blends. The distribution of effective composition around polymer segments was investigated for different blend scenarios and bulk concentrations. Inter- and intra-molecular contributions to the effective composition are analyzed. The analysis indicates that chain connectivity has significant and non-trivial effects on the distribution of effective composition around a polymer segment. The results of this work are compared with assumptions of several theoretical models that have been commonly used to describe structural and dynamical correlations in miscible polymer blends.",

author = "D. Bedrov and W. Liu and Colby, {R. H.}",

note = "Funding Information: D.B. acknowledges the financial support of the University of Utah Center for the Simulation of Accidental Fires and Explosions (C-SAFE), funded by the Department of Energy, Lawrence Livermore National Laboratory, under subcontract B341493.",

year = "2008",

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doi = "10.1080/14786430802441170",

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AU - Bedrov, D.

AU - Liu, W.

AU - Colby, R. H.

N1 - Funding Information: D.B. acknowledges the financial support of the University of Utah Center for the Simulation of Accidental Fires and Explosions (C-SAFE), funded by the Department of Energy, Lawrence Livermore National Laboratory, under subcontract B341493.

PY - 2008/11

Y1 - 2008/11

N2 - Molecular dynamics simulations using a generic bead-necklace model were utilized to investigate the concentration distribution of local environments in model polymer blends. The distribution of effective composition around polymer segments was investigated for different blend scenarios and bulk concentrations. Inter- and intra-molecular contributions to the effective composition are analyzed. The analysis indicates that chain connectivity has significant and non-trivial effects on the distribution of effective composition around a polymer segment. The results of this work are compared with assumptions of several theoretical models that have been commonly used to describe structural and dynamical correlations in miscible polymer blends.

AB - Molecular dynamics simulations using a generic bead-necklace model were utilized to investigate the concentration distribution of local environments in model polymer blends. The distribution of effective composition around polymer segments was investigated for different blend scenarios and bulk concentrations. Inter- and intra-molecular contributions to the effective composition are analyzed. The analysis indicates that chain connectivity has significant and non-trivial effects on the distribution of effective composition around a polymer segment. The results of this work are compared with assumptions of several theoretical models that have been commonly used to describe structural and dynamical correlations in miscible polymer blends.

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JF - Philosophical Magazine

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ER -

Influence of polymer chain connectivity on local composition distribution in miscible polymer blends

Abstract

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