Coarse-grained molecular dynamics simulations of polymer melts in transient and steady shear flow

J. T. Padding; W. J. Briels

doi:10.1063/1.1572459

Coarse-grained molecular dynamics simulations of polymer melts in transient and steady shear flow

J. T. Padding^*, W. J. Briels

^*Corresponding author for this work

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

61 Citations (Scopus)

Abstract

A coarse-grained simulation model was used to investigate the transient and steady-state nonlinear flow properties of unentangled and moderately entangled polyethylene melts. It was found that the model's predictions agree very well with various rheological experiments for shearing flow. This enabled to test the stress-optical rule and it was observed that it was valid, but only for low and moderate shear rates.

Original language	English
Pages (from-to)	10276-10286
Journal	Journal of Chemical Physics
Volume	118
Issue number	22
DOIs	https://doi.org/10.1063/1.1572459
Publication status	Published - 2003
Externally published	Yes

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abstract = "A coarse-grained simulation model was used to investigate the transient and steady-state nonlinear flow properties of unentangled and moderately entangled polyethylene melts. It was found that the model's predictions agree very well with various rheological experiments for shearing flow. This enabled to test the stress-optical rule and it was observed that it was valid, but only for low and moderate shear rates.",

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AB - A coarse-grained simulation model was used to investigate the transient and steady-state nonlinear flow properties of unentangled and moderately entangled polyethylene melts. It was found that the model's predictions agree very well with various rheological experiments for shearing flow. This enabled to test the stress-optical rule and it was observed that it was valid, but only for low and moderate shear rates.

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Coarse-grained molecular dynamics simulations of polymer melts in transient and steady shear flow

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