Document Type


Publication Date



The microscopic origins of five rheological models are investigated by comparing their predictions for the conformation tensor and stress tensor with the same tensors obtained via nonequilibrium molecular dynamics simulations for n-hexadecane. Steady-state simulations were performed under both planar Couette and planar elongational flows, and the results of each are compared with rheological model predictions in the same flows, without any fitting parameters where possible. The use of the conformation tensor for comparisons between theory and experiment/simulation, rather than just the stress tensor, allows additional information to be obtained regarding the physical basis of each model examined herein. The character of the relationship between stress and conformation is examined using model predictions and simulation data.


Copyright (2006) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Files over 3MB may be slow to open. For best results, right-click and select "save as..."