Dynamics of poly(ethylene oxide) in nanoscale confinements: A computer simulations perspective

V. Kuppa; E. Manias

doi:10.1063/1.1538601

Dynamics of poly(ethylene oxide) in nanoscale confinements: A computer simulations perspective

V. Kuppa, E. Manias

Research output: Contribution to journal › Review article › peer-review

68 Scopus citations

Abstract

Molecular dynamics simulations were used to study the physics of poly(ethylene oxide) oligomers in severe confinement. An atomistically explicit model for intercalated system, which mimiced poly(ethylene oxide) confined between montmorillonite layers, was employed. A coexistence of fast and slow relaxation times was observed for the nanoscopically confined chains, over a wide temperature range.

Original language	English (US)
Pages (from-to)	3421-3429
Number of pages	9
Journal	Journal of Chemical Physics
Volume	118
Issue number	7
DOIs	https://doi.org/10.1063/1.1538601
State	Published - Feb 15 2003

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1538601

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title = "Dynamics of poly(ethylene oxide) in nanoscale confinements: A computer simulations perspective",

abstract = "Molecular dynamics simulations were used to study the physics of poly(ethylene oxide) oligomers in severe confinement. An atomistically explicit model for intercalated system, which mimiced poly(ethylene oxide) confined between montmorillonite layers, was employed. A coexistence of fast and slow relaxation times was observed for the nanoscopically confined chains, over a wide temperature range.",

author = "V. Kuppa and E. Manias",

year = "2003",

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T2 - A computer simulations perspective

AU - Kuppa, V.

AU - Manias, E.

PY - 2003/2/15

Y1 - 2003/2/15

N2 - Molecular dynamics simulations were used to study the physics of poly(ethylene oxide) oligomers in severe confinement. An atomistically explicit model for intercalated system, which mimiced poly(ethylene oxide) confined between montmorillonite layers, was employed. A coexistence of fast and slow relaxation times was observed for the nanoscopically confined chains, over a wide temperature range.

AB - Molecular dynamics simulations were used to study the physics of poly(ethylene oxide) oligomers in severe confinement. An atomistically explicit model for intercalated system, which mimiced poly(ethylene oxide) confined between montmorillonite layers, was employed. A coexistence of fast and slow relaxation times was observed for the nanoscopically confined chains, over a wide temperature range.

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M3 - Review article

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 7

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Dynamics of poly(ethylene oxide) in nanoscale confinements: A computer simulations perspective

Abstract

All Science Journal Classification (ASJC) codes

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