Zero-shear stress relaxation and long time dynamics of a linear polyethylene melt: A test of Rouse theory

J.T. Padding, W.J. Briels

    Research output: Contribution to journalArticleAcademicpeer-review

    49 Citations (Scopus)
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    Abstract

    Molecular dynamics (MD) simulations of a polyethylene melt were performed to investigate the validity of the Rouse model predictions for a comprehensive set of correlation functions. It was found that the chains behave like Rouse theory predicts, but only on length scales larger than the segment length.
    Original languageEnglish
    Pages (from-to)8685-8693
    Number of pages9
    JournalJournal of Chemical Physics
    Volume114
    Issue number19
    DOIs
    Publication statusPublished - 2001

    Fingerprint

    stress relaxation
    Polyethylene
    Stress relaxation
    shear stress
    Molecular dynamics
    Shear stress
    polyethylenes
    relaxation time
    molecular dynamics
    Computer simulation
    predictions
    simulation

    Cite this

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    title = "Zero-shear stress relaxation and long time dynamics of a linear polyethylene melt: A test of Rouse theory",
    abstract = "Molecular dynamics (MD) simulations of a polyethylene melt were performed to investigate the validity of the Rouse model predictions for a comprehensive set of correlation functions. It was found that the chains behave like Rouse theory predicts, but only on length scales larger than the segment length.",
    author = "J.T. Padding and W.J. Briels",
    year = "2001",
    doi = "10.1063/1.1368135",
    language = "English",
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    pages = "8685--8693",
    journal = "Journal of Chemical Physics",
    issn = "0021-9606",
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    }

    Zero-shear stress relaxation and long time dynamics of a linear polyethylene melt: A test of Rouse theory. / Padding, J.T.; Briels, W.J.

    In: Journal of Chemical Physics, Vol. 114, No. 19, 2001, p. 8685-8693.

    Research output: Contribution to journalArticleAcademicpeer-review

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    AU - Briels, W.J.

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    N2 - Molecular dynamics (MD) simulations of a polyethylene melt were performed to investigate the validity of the Rouse model predictions for a comprehensive set of correlation functions. It was found that the chains behave like Rouse theory predicts, but only on length scales larger than the segment length.

    AB - Molecular dynamics (MD) simulations of a polyethylene melt were performed to investigate the validity of the Rouse model predictions for a comprehensive set of correlation functions. It was found that the chains behave like Rouse theory predicts, but only on length scales larger than the segment length.

    U2 - 10.1063/1.1368135

    DO - 10.1063/1.1368135

    M3 - Article

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    EP - 8693

    JO - Journal of Chemical Physics

    JF - Journal of Chemical Physics

    SN - 0021-9606

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