Single-chain Dynamics of Linear Polyethylene Liquids under Shear Flow

Authors

J. M. Kim, University of Tennessee - Knoxville
B. J. Edwards, University of Tennessee - Knoxville
David J. Keffer, University of Tennessee - Knoxville
B. Khomami, University of Tennessee - Knoxville

Document Type

Article

Publication Date

2-2009

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.

Recommended Citation

J.M. Kim, B.J. Edwards, D.J. Keffer, B. Khomami. (2009). Single-chain dynamics of linear polyethylene liquids under shear flow, Physics Letters A, Volume 373, Issue 7, 16 Pages 769-772, ISSN 0375-9601, DOI: 10.1016/j.physleta.2008.12.062. (http://www.sciencedirect.com/science/article/B6TVM-4VB01RR-4/2/c3692c8c32e0988befe220a7beb6d675)