Brownian dynamics simulations of planar mixed flows of polymer solutions at finite concentrations

Aashish Jain, Chandi Sasmal, Remco Hartkamp, B. D. Todd, J. Ravi Prakash

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13 Scopus citations

Abstract

Periodic boundary conditions for planar mixed flows are implemented in the context of a multi-chain Brownian dynamics simulation algorithm. The effect of shear rate γ˙, and extension rate ε˙, on the size of polymer chains, 〈Re2〉, and on the polymer contribution to viscosity, η, is examined for solutions of FENE dumbbells at finite concentrations, with excluded volume interactions between the beads taken into account. The influence of the mixedness parameter, χ, and flow strength, Γ˙, on 〈Re2〉 and η, is also examined, where χ→0 corresponds to pure shear flow, and χ→1 corresponds to pure extensional flow. It is shown that there exists a critical value, χc, such that the flow is shear dominated for χ<χc, and extension dominated for χ>χc.

Original languageEnglish (US)
Pages (from-to)245-257
Number of pages13
JournalChemical Engineering Science
Volume121
DOIs
StatePublished - Jan 6 2015

Bibliographical note

Funding Information:
This research was supported under Australian Research Council׳s Discovery Projects funding scheme (Project number DP120101322 ). It was undertaken with the assistance of resources provided at the NCI National Facility systems at the Australian National University through the National Computational Merit Allocation Scheme supported by the Australian Government, and was supported by a Victorian Life Sciences Computation Initiative (VLSCI) Grant number VR0010 on its Peak Computing Facility at the University of Melbourne, an initiative of the Victorian Government, Australia.

Publisher Copyright:
© 2014 Elsevier Ltd.

Keywords

  • Brownian dynamics simulations
  • Planar mixed flows
  • Polymer contribution to viscosity
  • Polymer solutions

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