Single-chain dynamics of linear polyethylene liquids under shear flow |
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Authors: | JM Kim DJ Keffer B Khomami |
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Institution: | Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, TN 37996, USA |
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Abstract: | Molecular dynamics simulations of linear C78H158 were conducted to investigate the dynamics of individual chains under shear. The distribution of the end-to-end vector exhibited Gaussian behavior at low shear rates; however, it displayed a bimodal form at high shear rates as rotational motion of the individual chains effectively lowered the vector's magnitude. Correlations between the components of the end-to-end vector revealed multiple time scales associated with the fluid response: the Rouse time, and several that were associated with the deformation and rotational dynamics of the fluid. |
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Keywords: | 61 20 Ja 61 20 Gy 61 25 Hq |
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