English

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

Soft Condensed Matter 2020-07-03 v2

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˙\dot{\gamma}, and extension rate ϵ˙\dot{\epsilon}, on the size of polymer chains, <Re2>\left<R_e^2\right>, and on the polymer contribution to viscosity, η\eta, 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\chi, and flow strength, Γ˙\dot{\Gamma}, on <Re2>\left<R_e^2\right> and η\eta, is also examined, where χ0\chi \rightarrow 0 corresponds to pure shear flow, and χ1\chi \rightarrow 1 corresponds to pure extensional flow. It is shown that there exists a critical value, χc\chi_\text{c}, such that the flow is shear dominated for χ<χc\chi < \chi_\text{c}, and extension dominated for χ>χc\chi > \chi_\text{c}.

Keywords

Cite

@article{arxiv.1405.5544,
  title  = {Brownian dynamics simulations of planar mixed flows of polymer solutions at finite concentrations},
  author = {Aashish Jain and Chandi Sasmal and Remco Hartkamp and B. D. Todd and J. Ravi Prakash},
  journal= {arXiv preprint arXiv:1405.5544},
  year   = {2020}
}

Comments

18 pages, 12 figures, to appear in Chemical Engineering Science