Gaussian approximation for finitely extensible bead-spring chains with hydrodynamic interaction

The Gaussian Approximation, proposed originally by Ottinger [J. Chem. Phys., 90 (1) : 463-473, 1989] to account for the influence of fluctuations in hydrodynamic interactions in Rouse chains, is adapted here to derive a new mean-field approximation for the FENE spring force. This "FENE-PG" force law approximately accounts for spring-force fluctuations, which are neglected in the widely used FENE-P approximation. The Gaussian Approximation for hydrodynamic interactions is combined with the FENE-P and FENE-PG spring force approximations to obtain approximate models for finitely-extensible bead-spring chains with hydrodynamic interactions. The closed set of ODE's governing the evolution of the second-moments of the configurational probability distribution in the approximate models are used to generate predictions of rheological properties in steady and unsteady shear and uniaxial extensional flows, which are found to be in good agreement with the exact results obtained with Brownian dynamics simulations. In particular, predictions of coil-stretch hysteresis are in quantitative agreement with simulations' results. Additional simplifying diagonalization-of-normal-modes assumptions are found to lead to considerable savings in computation time, without significant loss in accuracy.Comment: 26 pages, 17 figures, 2 tables, 75 numbered equations, 1 appendix with 10 numbered equations Submitted to J. Chem. Phys. on 6 February 200

Statistics of polymer extensions in turbulent channel flow

We present direct numerical simulations of turbulent channel flow with passive Lagrangian polymers. To understand the polymer behavior we investigate the behavior of infinitesimal line elements and calculate the probability distribution function (PDF) of finite-time Lyapunov exponents and from them the corresponding Cramer's function for the channel flow. We study the statistics of polymer elongation for both the Oldroyd-B model (for Weissenberg number \Wi <1) and the FENE model. We use the location of the minima of the Cramer's function to define the Weissenberg number precisely such that we observe coil-stretch transition at \Wi\approx1. We find agreement with earlier analytical predictions for PDF of polymer extensions made by Balkovsky, Fouxon and Lebedev [Phys. Rev. Lett., 84, 4765 (2000).] for linear polymers (Oldroyd-B model) with \Wi<1 and by Chertkov [Phys. Rev. Lett., 84, 4761 (2000).] for nonlinear FENE-P model of polymers. For \Wi>1 (FENE model) the polymer are significantly more stretched near the wall than at the center of the channel where the flow is closer to homogenous isotropic turbulence. Furthermore near the wall the polymers show a strong tendency to orient along the stream-wise direction of the flow but near the centerline the statistics of orientation of the polymers is consistent with analogous results obtained recently in homogeneous and isotropic flows.Comment: consistent with the published versio

Deformation of a flexible polymer in a random flow with long correlation time

The effects induced by long temporal correlations of the velocity gradients on the dynamics of a flexible polymer are investigated by means of theoretical and numerical analysis of the Hookean and FENE dumbbell models in a random renewing flow. For Hookean dumbbells, we show that long temporal correlations strongly suppress the Weissenberg-number dependence of the power-law tail characterising the probability density function (PDF) of the elongation. For the FENE model, the PDF becomes bimodal, and the coil-stretch transition occurs through the simultaneous drop and rise of the two peaks associated with the coiled and stretched configurations, respectively.Comment: 10 page

Mesoscopic constitutive relations for dilute polymer solutions

A novel approach to the dynamics of dilute solutions of polymer molecules under flow conditions is proposed by applying the rules of mesoscopic nonequilibrium thermodynamics (MNET). The probability density describing the state of the system is taken to be a function of the position and velocity of the molecules, and on a local vector parameter accounting for its deformation. This function obeys a generalized Fokker-Planck equation, obtained by calculating the entropy production of the system, and identifying the corresponding probability currents in terms of generalized forces. In simple form, this coarse-grained description allows one to derive hydrodynamic equations where molecular deformation and diffusion effects are coupled. A class of non-linear constitutive relations for the pressure tensor are obtained. Particular models are considered and compared with experiments.Comment: To be published in Physica A (16 pages, 2 figures

A numerical closure approach for kinetic models of polymeric fluids: exploring closure relations for FENE dumbbells

We propose a numerical procedure to study closure approximations for FENE dumbbells in terms of chosen macroscopic state variables, enabling to test straightforwardly which macroscopic state variables should be included to build good closures. The method involves the reconstruction of a polymer distribution related to the conditional equilibrium of a microscopic Monte Carlo simulation, conditioned upon the desired macroscopic state. We describe the procedure in detail, give numerical results for several strategies to define the set of macroscopic state variables, and show that the resulting closures are related to those obtained by a so-called quasi-equilibrium approximation \cite{Ilg:2002p10825}

Laminar flow in three-dimensional square-square expansions

In this work we investigate the three-dimensional laminar flow of Newtonian and viscoelastic fluids through square–square expansions. The experimental results obtained in this simple geometry provide useful data for benchmarking purposes in complex three-dimensional flows. Visualizations of the flow patterns were performed using streak photography, the velocity field of the flow was measured in detail using particle image velocimetry and additionally, pressure drop measurements were carried out. The Newtonian fluid flow was investigated for the expansion ratios of 1:2.4, 1:4 and 1:8 and the experimental results were compared with numerical predictions. For all expansion ratios studied, a corner vortex is observed downstream of the expansion and an increase of the flow inertia leads to an enhancement of the vortex size. Good agreement is found between experimental and numerical results. The flow of the two non-Newtonian fluids was investigated experimentally for expansion ratios of 1:2.4, 1:4, 1:8 and 1:12, and compared with numerical simulations using the Oldroyd-B, FENE-MCR and sPTT constitutive equations. For both the Boger and shear-thinning viscoelastic fluids, a corner vortex appears downstream of the expansion, which decreases in size and strength when the elasticity of the flow is increased. For all fluids and expansion ratios studied, the recirculations that are formed downstream of the square–square expansion exhibit a three-dimensional structure evidenced by a helical flow, which is also predicted in the numerical simulations