A detailed comparison of various FENE dumbbell models

The rheological behaviour of dilute solutions of finitely extensible non-linear elastic (FENE) dumbbells in both steady state and transient shear and simple elongational flow is investigated. Three dumbbell models are compared: the original FENE model with the Warner spring force, which is treated by brownian dynamics simulations, and the FENE-P model based on the Peterlin approximation and the FENE-CR model as suggested by Chilcott and Rallison, which are treated by standard numerical techniques. It is shown that in the linear viscoelastic limit and in steady state flows the behaviour is similar, except for the FENE-CR dumbbell in shear flow, modelling a Boger fluid. In transient flows larger differences appear.     

Dilute solution rheology: experimental results and finitely extensible nonlinear elastic dumbbell theory

Experimental results for intrinsic viscosity and for intrinsic complex viscosity of polymer solutions were compared with the rheological predictions of the finitely extensible, nonlinear elastic (FENE) dumbbell theory of a dilute suspension. The FENE dumbbell adequately models the intrinsic viscosity of flexible polymers, but less successfully portrays the behavior in small amplitude oscillatory motion. Expressions for the high frequency asymptotic limit of the intrinsic complex viscosity of a FENE dumbbell suspension, and the mean-square end-to-end distance of FENE dumbbells in steady shear flow are given.     

Viscosity,first normal-stress coefficient,and molecular stretching in dilute polymer solutions

Warner's numerical method for finitely extensible nonlinear elastic (“FENE”) dumbbells in a dilute suspension undergoing steady-state shear flow has been improved by assuming a form of the distribution function that removes the singularity at R = 0 and improves the behavior of the weight function in the Galerkin expression for large b. The comparison of the results of the present method to those of Christiansen and Bird's extrapolation and Warner's numerical solution indicates the success of this method. The material functions, the dumbbell elongation, and the distribution function for steady-state shear flow are given. In addition the newly obtained results are used to assess the accuracy of two approximate methods referred to as the FENE-P model and the FENE-P-B model.     

Viscoelastic flow past confined objects using a micro–macro approach

This paper is concerned with the numerical prediction of viscoelastic flow past a cylinder in a channel and a sphere in a cylinder using molecular-based models. The basis of the numerical method employed is a micro–macro model in which the polymer dynamics is described by the evolution of an ensemble of Brownian configuration fields. The spectral element method is used to discretize the equations in space. Comparisons are made between the macroscopic simulations based on the Oldroyd B constitutive model and microscopic simulations based on Hookean dumbbells, and excellent agreement is found. The micro–macro approach can be used to simulate models, such as the finitely extensible nonlinear elastic (FENE) dumbbell model, which do not possess a closed-form constitutive equation. Numerical simulations are performed for the FENE model. The influence of the model parameters on the flow is described and, in particular, the dependence of the drag as a function of the Weissenberg number.     

Local Existence for the FENE-Dumbbell Model of Polymeric Fluids

We study the well-posedness of a multi-scale model of polymeric fluids. The microscopic model is the kinetic theory of the finitely extensible nonlinear elastic (FENE) dumbbell model. The macroscopic model is the incompressible non-Newton fluids with polymer stress computed via the Kramers expression. The boundary condition of the FENE-type Fokker-Planck equation is proved to be unnecessary by the singularity on the boundary. Other main results are the local existence, uniqueness and regularity theorems for the FENE model in certain parameter range.     

Extensional behavior influence on viscoelastic turbulent channel flow

In this work we use in the simulation of a viscoelastic turbulent channel flow a modification of the finitely extensible of non-linear elastic dumbbells with the Peterlin approximation (FENE-P) constitutive model for dilute polymer solutions, applicable to high extensional deformations. The new feature introduced by this modification is that the free energy of the polymer (since it is assumed to be entirely entropically driven) remains always bounded (FENE-PB). The characteristics of the model under steady shear flow, pure elongational flow and transient extensional behavior are presented. It is found that the FENE-PB model is more shear thinning than FENE-P. Most importantly, it also shows a higher extensional viscosity than the FENE-P model. Although the steady-state Trouton ratio asymptotically reaches at high extensional rates the same limit as the FENE-P model, the transition from the Newtonian value is sharper and faster. We use the FENE-PB model in direct numerical simulations (DNS) of viscoelastic turbulent channel flow using spectral approximations. The results for various statistics of the flow and the polymer conformation, when compared against those obtained with the original FENE-P model and the same rheological parameters, show an enhanced polymer-induced drag reduction effect and enhanced deformation of the polymer molecules. This indicates that it is not only the asymptotic but also details from the extensional rheological behavior that matter in quantitatively specifying turbulent viscoelastic flow behavior.     

Parametric study of FENE and FENE-P models in steady and unsteady flow in a circular pipe using CONNFFESSIT approach

The temporal rheological behavior of FENE and FENE-P models is investigated using the flow in a circular, straight tube. The CONNFFESSIT approach is applied to simulate transient Hagen–Poiseuille flow for different pressure drops and model parameters. The material functions for steady and unsteady flow were extracted and compared with the reported values in the literature when it was available. For the case of the FENE model, where there is no analytical solution, the relationship between model parameters and rheological behavior has been discussed and compared with the FENE-P model.     

Time-dependent non-linear dynamics of polymer solutions in microfluidic contraction flow—a numerical study on the role of elongational viscosity

A generalised form of the finitely extensible non-linear elastic (FENE) model for modelling non-linear flow of semi-dilute polymer solutions is proposed. It accounts for conformation-dependent polymer elasticity and predicts shear-thinning shear viscosity, non-linear elongational viscosity and first and second normal stress differences. The rheometric material functions predicted by the model are critically compared with the results of the linear Phan–Thien–Tanner model. The predictabilities of these constitutive models under benchmark flow problems are evaluated by time-dependent simulations, using finite volume method based on a CFD simulation toolbox. The effects of the model parameters, the inertia and the contraction ratio are numerically studied. The modified FENE model qualitatively captures the non-linear flow phenomena of polymer solution in the high elasticity number ( $\mathrm {El}$ ) flow regime observed in experiments. The results show that an accurate growth function of the elongational viscosity is the key to the prediction of the time-dependent highly asymmetric flow patterns.     

Dissipative particle dynamics simulation of polymer drops in a periodic shear flow

The steady-state and transient shear flow dynamics of polymer drops in a microchannel are investigated using the dissipative particle dynamics (DPD) method. The polymer drop is made up of 10% DPD solvent particles and 90% finite extensible non-linear elastic (FENE) bead spring chains, with each chain consisting of 16 beads. The channel’s upper and lower walls are made up of three layers of DPD particles, respectively, perpendicular to Z-axis, and moving in opposite directions to generate the shear flow field. Periodic boundary conditions are implemented in the X and Y directions. With FENE chains, shear thinning and normal stress difference effects are observed. The “colour” method is employed to model immiscible fluids according to Rothman–Keller method; the χ-parameters in Flory–Huggins-type models are also analysed accordingly. The interfacial tension is computed using the Irving–Kirkwood equation. For polymer drops in a steady-state shear field, the relationship between the deformation parameter (D_def) and the capillary number (Ca) can be delineated into a linear and nonlinear regime, in qualitative agreement with experimental results of Guido et al. [J. Rheol. 42 (2) (1998) 395]. In the present study, Ca<0.22, in the linear regime. As the shear rate increases further, the drop elongates; a sufficiently deformed drop will break up; and a possible coalescence may occur for two neighbouring drops. Dynamical equilibrium between break-up and coalescence results in a steady-state average droplet-size distribution. In a shear reversal flow, an elongated and oriented polymer drop retracts towards a roughly spherical shape, with a decrease in the first normal stress difference. The polymer drop is found to undergo a tumbling mode at high Schmidt numbers. A stress analysis shows that the stress response is different from that of a suspension of solid spheres. An overshoot in the strain is observed for the polymer drop under extension due to the memory of the FENE chains.     

Finite-Element simulation of the start-up problem for a viscoelastic fluid in an eccentric rotating cylinder geometry using a third-order upwind scheme

We numerically simulate the flow field of a dilute polymeric solution using a finitely extendable nonlinear elastic (FENE) dumbbell model. A third-order accurate finite element upwind scheme is used to discretize the convection term in the FENE dumbbell equations for the configuration tensor. The numerical scheme also avoids unphysical negative values for diagonal components of the configuration tensor. The FENE dumbbell equations are solved along with the momentum and continuity equations at small Reynolds numbers with an accuracy of second order in time. In this work we apply this numerical technique to the motion of a viscoelastic fluid in an eccentric rotating cylinder geometry. We obtain the velocity and the polymer contribution to the stress fields as a function of time, and also examine the steady solutions. A particular focus is the influence of coupling between changes in polymer conformation and changes in the flow that occurs as the polymer concentration is increased to a level where the polymer contribution to the zero-shear viscosity of the solution is equal to that of the solvent.This research was supported under grants from the National Science Foundation and the San Diego Supercomputer Center.     

Multiscale simulation of viscoelastic free surface flows

A micro–macro approach based on combining the Brownian configuration fields (BCF) method [M.A. Hulsen, A.P.G. van Heel, B.H.A.A. van den Brule, Simulation of viscoelastic flow using Brownian configuration fields, J. Non-Newtonian Fluid Mech. 70 (1997) 79–101] with an Arbitrary Lagrangian–Eulerian (ALE) Galerkin finite element method, using elliptic mesh generation equations coupled with time-dependent conservation equations, is applied to study slot coating flows of polymer solutions. The polymer molecules are represented by dumbbells with both linear and non-linear springs; hydrodynamic interactions between beads are incorporated. Calculations with infinitely extensible (Hookean) and pre-averaged finitely extensible (FENE-P) dumbbell models are performed and compared with equivalent closed-form macroscopic models in a conformation tensor based formulation [M. Pasquali, L.E. Scriven, Free surface flows of polymer solutions with models based on the conformation tensor, J. Non-Newtonian Fluid Mech. 108 (2002) 363–409]. The BCF equation for linear dumbbell models is solved using a fully implicit time integration scheme which is found to be more stable than the explicit Euler scheme used previously to compute complex flows. We find excellent agreement between the results of the BCF based formulation and the macroscopic conformation tensor based formulation. The computations using the BCF approach are stable at much higher Weissenberg numbers, (where λ is the characteristic relaxation time of polymer, and is the characteristic rate of strain) compared to the purely macroscopic conformation tensor based approach, which fail beyond a maximum Wi. A novel computational algorithm is introduced to compute complex flows with non-linear microscopic constitutive models (i.e. non-linear FENE dumbbells and dumbbells with hydrodynamic interactions) for which no closed-form constitutive equations exist. This algorithm is fast and computationally efficient when compared to both an explicit scheme and a fully implicit scheme involving the solution of the non-linear equations with Newton’s method for each configuration field.     

Crucial properties of the moment closure model FENE-QE

We investigate four crucial properties for testing and evaluating a moment closure approximation of the FENE dumbbell model for dilute polymer solutions: non-negative configuration distribution function, energy dissipation, accuracy of approximation and computational expense. Through mathematical analysis, numerical experiments and comparisons with closure model FENE-P and FENE-YDL, we prove that the FENE-QE approximation has non-negative configuration distribution function, approximates the energy dissipation behavior of original kinetic theory and provides good accuracy. To improve the efficiency of this closure approximation, we introduce a piecewise linear approximation technique that greatly reduces the computational cost. This extension of FENE-QE, FENE-QE-PLA, is the closure model we recommend for simulating dilute polymer solutions.     

Brownian dynamics simulation of multiphase suspension of disc-like particles and polymers

A computational model is proposed for simulating the flow of polymer nanocomposites. This model is based on a multiphase suspension of disc-like particles and polymers. The particles are represented by oblate spheroid particles that interact with each other via the Gay-Berne (GB) potential, and the polymers are modeled by finitely extensible nonlinear elastic (FENE) chains that interact with each other via the repulsive Lennard-Jones potential. The interaction between an oblate spheroid particle and a FENE chain is also considered using a modified GB potential. A Brownian dynamics simulation of the shear flows of this system was conducted to investigate the orientation behavior of disc-like particles and the rheological properties of this system. The orientation of disc-like particles was affected by polymers, and the particles in a suspension were well aligned in flows because of the flow orientation property of polymers. The predicted shear viscosity exhibited shear thinning, and the normal stress differences agree qualitatively with experimental measurements of polymer/clay nanocomposites. The simulation results suggest that the present model has the potential to be used as a computational model for polymer nanocomposites.     

A FENE-P k–ε turbulence model for low and intermediate regimes of polymer-induced drag reduction

A new low-Reynolds-number k–ε turbulence model is developed for flows of viscoelastic fluids described by the finitely extensible nonlinear elastic rheological constitutive equation with Peterlin approximation (FENE-P model). The model is validated against direct numerical simulations in the low and intermediate drag reduction (DR) regimes (DR up to 50%). The results obtained represent an improvement over the low DR model of Pinho et al. (2008) [A low Reynolds number k–ε turbulence model for FENE-P viscoelastic fluids, Journal of Non-Newtonian Fluid Mechanics, 154, 89–108]. In extending the range of application to higher values of drag reduction, three main improvements were incorporated: a modified eddy viscosity closure, the inclusion of direct viscoelastic contributions into the transport equations for turbulent kinetic energy (k) and its dissipation rate, and a new closure for the cross-correlations between the fluctuating components of the polymer conformation and rate of strain tensors (NLT_ij). The NLT_ij appears in the Reynolds-averaged evolution equation for the conformation tensor (RACE), which is required to calculate the average polymer stress, and in the viscoelastic stress work in the transport equation of k. It is shown that the predictions of mean velocity, turbulent kinetic energy, its rate of dissipation by the Newtonian solvent, conformation tensor and polymer and Reynolds shear stresses are improved compared to those obtained from the earlier model.     

On extensibility effects in the cross-slot flow bifurcation

The flow of finite-extensibility models in a two-dimensional planar cross-slot geometry is studied numerically, using a finite-volume method, with a view to quantifying the influences of the level of extensibility, concentration parameter, and sharpness of corners, on the occurrence of the bifurcated flow pattern that is known to exist above a critical Deborah number. The work reported here extends previous studies, in which the viscoelastic flow of upper-convected Maxwell (UCM) and Oldroyd-B fluids (i.e. infinitely extensionable models) in a cross-slot geometry was shown to go through a supercritical instability at a critical value of the Deborah number, by providing further numerical data with controlled accuracy. We map the effects of the L² parameter in two different closures of the finite extendable non-linear elastic (FENE) model (the FENE-CR and FENE-P models), for a channel-intersecting geometry having sharp, “slightly” and “markedly” rounded corners. The results show the phenomenon to be largely controlled by the extensional properties of the constitutive model, with the critical Deborah number for bifurcation tending to be reduced as extensibility increases. In contrast, rounding of the corners exhibits only a marginal influence on the triggering mechanism leading to the pitchfork bifurcation, which seems essentially to be restricted to the central region in the vicinity of the stagnation point.     

A study of the interacting FENE dumbbell model for semi-dilute polymer solutions in extensional flows

The effect of polymer concentration on the conformation of semidilute polymer solutions in extensional flows is studied via the interacting elastic dumbbell model proposed by Hess (1984), here modified to include a nonlinear Warner spring (FENE dumbbell) instead of the linear Hookean spring of the original model. The length of flow-induced conformation changes for the polymer is predicted to be a decreasing function of concentration. In particular, increasing concentration tends to inhibit large extension of the polymer due to polymer-polymer interaction. The specific birefringence is thus proportional to c ^–1 for semi-dilute solutions, in contrast to dilute solutions where it is known to be independent of concentration. However, the correlation between birefringence and the principle eigenvalue of the velocity gradient tensor, also found originally for dilute solutions, is predicted to occur in the semi-dilute regime. All of these predictions agree qualitatively with experimental observations.Some recent exceptions to the neglect of segmental stretch can be found in Marrucci and Grizzuti (1988), Pearson et al. (1991), Mead et al. (1992).     

An extended FENE dumbbell model theory for concentration dependent shear-induced anisotropy in dilute polymer solutions: addenda

Schneggenburger et al. [C. Schneggenburger, M. Kröger, S. Hess, An extended FENE dumbbell theory for concentration dependent shear-induced anisotropy in dilute polymer solutions, J. Non-Newtonian Fluid Mech. 62 (1996) 235] extended the original FENE dumbbell kinetic theory to describe concentration dependent shear-induced anisotropy in dilute polymer solutions by a mean-field approach. Besides providing an erratum to the above-mentioned paper and two revised figures we present related analytic results for steady shear and uniaxial elongational flow. Within the same framework we further consider a modified FENE potential and briefly discuss its implications.     

Practical comparison of differential viscoelastic constitutive equations in finite element analysis of planar 4:1 contraction flow

Finite element modeling of planar 4:1 contraction flow (isothermal incompressible and creeping) around a sharp entrance corner is performed for favored differential constitutive equations such as the Maxwell, Leonov, Giesekus, FENE-P, Larson, White-Metzner models and the Phan Thien-Tanner model of exponential and linear types. We have implemented the discrete elastic viscous stress splitting and streamline upwinding algorithms in the basic computational scheme in order to augment stability at high flow rate. For each constitutive model, we have obtained the upper limit of the Deborah number under which numerical convergence is guaranteed. All the computational results are analyzed according to consequences of mathematical analyses for constitutive equations from the viewpoint of stability. It is verified that in general the constitutive equations proven globally stable yield convergent numerical solutions for higher Deborah number flows. Therefore one can get solutions for relatively high Deborah number flows when the Leonov, the Phan Thien-Tanner, or the Giesekus constitutive equation is employed as the viscoelastic field equation. The close relationship of numerical convergence with mathematical stability of the model equations is also clearly demonstrated.     

A Reynolds stress model for turbulent flow of homogeneous polymer solutions

Using a priori analyses of direct numerical simulation (DNS) data, a Reynolds stress model (RSM) is developed to account for the influence of polymer additives on turbulent flow over a wide range of flow conditions. The Finitely Extensible Nonlinear Elastic-Peterlin (FENE-P) rheological constitutive model is utilized to evaluate the polymer contribution to the stress tensor. Thirteen DNS data sets are used to analyze the budgets of elastic stress–velocity gradient correlations as well as Reynolds stress and dissipation transport. Closures are developed in the framework of the RSM model for all the required unknown and non-linear terms. The polymer stresses, velocity profiles, turbulent flow statistics and the percentage of friction drag reduction predicted by the RSM model are in good agreement with present and those obtained from independent DNS data over a wide range of rheological and flow parameters.