Concentration dependence of viscometric properties of model short chain polymer solutions
We study the concentration dependence of the conformational and viscometric behaviour of short-chain polymer solutions in shear flow by conducting a series of non-equilibrium molecular dynamics simulations, covering the entire concentration range. Our model explicitly incorporates all of the important generic features of real polymer solutions—excluded volume, hydrodynamic interactions and finite chain extensibility. Hydrodynamic interactions are included exactly by treating the solvent explicitly as an atomic fluid. The polymer molecules studied consist of 20-site bead-rod model molecules, which correspond approximately to 12 Kuhn steps in the melt. For polyethylene, this represents a molar mass of 1800 g mol21. In some respects, our results are consistent with experimental and theoretical results obtained for long-chain polymer solutions. We calculate the Flory–Fox constant and find a value that agrees reasonably well with results for long chain polymer solutions. Due to the short chain length of the molecules investigated, no semidilute region exists for these solutions. However, the radius of gyration and viscosity still exhibit strong concentration dependence, which is well described by power series, rather than power law expressions, in contrast to the behaviour usually observed in long-chain polymer solutions.
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|Item Type:||Journal Article|
|Additional Information:||For more information please refer to the publisher's website (link above) or contact the author: firstname.lastname@example.org|
|Keywords:||Shear flow, Bead rod model polymer, Non, equilibrium molecular dynamics|
|Divisions:||Past > QUT Faculties & Divisions > Faculty of Science and Technology|
|Copyright Owner:||Copyright 2004 Elsevier|
|Deposited On:||09 Mar 2007|
|Last Modified:||29 Feb 2012 13:30|
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