Phenomenological theory of flow-alignment in binary nematic mixtures

A macroscopic continuum mechanical model for incompressible homogeneous (single phase) binary nematic mixtures under isothermal conditions is given. The rheological model is a generalization of the standard nematorheological model for single component uniaxial rod-like nematic liquid crystals. Its special cases include single component orthorhombic biaxial nematics and single component uniaxial nematics. Numerical solutions for rectilinear simple shear flow of the model nematic mixture are obtained and analyzed. A complete classification of all the possible shear-alignment modes for binary nematic mixtures is given. Mechanisms and parameter variations leading to alignment transitions are identified. Mixtures of two aligning nematics result in most cases in flow-aligning biaxial nematic mixtures. Mixtures of an aligning nematic with a non-aligning nematic results in a flow-aligning biaxial nematic mixture, only if sufficiently strong dynamic interactions are present. In all cases the predicted degree and type of alignment behavior is shear rate-dependent.     

Rheology of rodlike polymers in the nematic phase with tumbling or shear orientation

The theory of rodlike polymers in the nematic phase is now sufficiently well developed as to allow predictions of the rheological behaviour that qualitatively compare well with the experimental observations. One of the main results of the theory is the prediction that rodlike polymers are nematics of the tumbling type at low shear rates, whereas they become shear oriented at high rates: a nonlinear effect, which is absent in low molecular weight nematics. This aspect is here reviewed in an effort to highlight the intuitive aspects of the matter. First, the low shear-rate situation is discussed in order to investigate the conditions that determine the existence of a stationary solution as opposed to a periodic one (tumbling). Then, the high shear-rate range is considered, where the shear-oriented situation prevails under all conditions. The intermediate range of shear rates is the most interesting one for its peculiar rheological behavior.Delivered as a Keynote Lecture at the Golden Jubilee Conference of the British Society of Rheology and Third European Rheology Conference, Edinburgh, 3–7 September, 1990.     

Brownian dynamics simulations of star-branched polymers in dilute solutions in extensional flow

Using Brownian dynamics (BD) simulations of FENE bead-spring models, the dynamics of star-branched polymers in dilute solutions under extensional flow have been investigated. Studies on star polymers in transient extensional flow reveal that the initial transient stress response at low strains is governed by both the number of arms and the shortest arm. On the other hand, the steady-state behavior of star polymers in elongational flow is limited by the maximum effective “contour” length of the molecules. The distribution of arm extension and birefringence of the star-branched molecule are broader and the mean is shifted to lower values, when compared to equivalent linear systems. As a result, the degree of arm extension at steady-state decreases as the number of arms in the star increases. Both an analysis of individual ensembles in Brownian dynamics simulations and a study of a simple force balance indicate that the constraint imposed on the star arms by the central branch point and contributions from “asymmetric” arm arrangements give rise to overall less extended and oriented star-branched molecules with broader arm extension and birefringence distributions. The results obtained from stress-conformation hysteresis simulation indicate that less-stretched arms exhibit more retarded relaxation, as the number of arms increases in star-branched molecules. The effect of excluded volume (EV) interactions, incorporated through the Lennard–Jones potential, on the dynamics of star polymers in extensional flow appears unimportant.     

Nonequilibrium stretching dynamics of dilute and entangled linear polymers in extensional flow

We propose an extension of the FENE-CR model for dilute polymer solutions [M.D. Chilcott, J.M. Rallison, Creeping flow of dilute polymer solutions past cylinders and spheres, J. Non-Newtonian Fluid Mech. 29 (1988) 382–432] and the Rouse-CCR tube model for linear entangled polymers [A.E. Likhtman, R.S. Graham, Simple constitutive equation for linear polymer melts derived from molecular theory: Rolie–Poly equation, J. Non-Newtonian Fluid Mech. 114 (2003) 1–12], to describe the nonequilibrium stretching dynamics of polymer chains in strong extensional flows. The resulting models, designed to capture the progressive changes in the average internal structure (kinked state) of the polymer chain, include an ‘effective’ maximum contour length that depends on local flow dynamics. The rheological behavior of the modified models is compared with various results already published in the literature for entangled polystyrene solutions, and for the Kramers chain model (dilute polymer solutions). It is shown that the FENE-CR model with an ‘effective’ maximum contour length is able to describe correctly the hysteretic behavior in stress versus birefringence in start-up of uniaxial extensional flow and subsequent relaxation also observed and computed by Doyle et al. [P.S. Doyle, E.S.G. Shaqfeh, G.H. McKinley, S.H. Spiegelberg, Relaxation of dilute polymer solutions following extensional flow, J. Non-Newtonian Fluid Mech. 76 (1998) 79–110] and Li and Larson [L. Li, R.G. Larson, Excluded volume effects on the birefringence and stress of dilute polymer solutions in extensional flow, Rheol. Acta 39 (2000) 419–427] using Brownian dynamics simulations of bead–spring model. The Rolie–Poly model with an ‘effective’ maximum contour length exhibits a less pronounced hysteretic behavior in stress versus birefringence in start-up of uniaxial extensional flow and subsequent relaxation.     

Rheo-NMR study of a non-flow-aligning side-chain liquid crystal polymer in nematic solution

The flow behavior of a highly concentrated solution of a nematic side-chain liquid crystal polymer in a low molecular mass nematic solvent is investigated by deuterium nuclear magnetic resonance with simultaneous measurement of the shear viscosity in a cone-and-plate NMR viscometer. The director orientation under shear in the magnetic field is determined from the quadrupole splitting of the NMR spectra. The orientation as a function of shear rate is analyzed in terms of the Ericksen-Leslie-Parodi theory, yielding the Leslie coefficients ₂ and ₃ and thus the flow alignment parameter . From the combined analysis of orientation and viscosity as a function of shear rate a total of four independent viscosity parameters is obtained for the nematic solution. The value determined for the flow-alignment parameter, 0.2, and the analysis of the data based on Brochard's theory show that the polymer is of the non-flow-aligning type and has a slightly prolate shape.     

Likelihood and expected-time statistics of monodomain attractors in sheared discotic and rod-like nematic polymers

Employing a mesoscopic Doi tensor model, we develop transient statistical properties of sheared nematic polymer monodomains consistent with typical experimental protocols. Our goal is to convey to the experimentalist a list of expected outcomes, based not only on properties of the nematic liquid and imposed flow rate, but also on the timescale of the experiment and variability in the initial conditions. Step 1 is deterministic: we solve the model equations completely, then compile the flow-phase diagram of all monodomain attractors and phase transitions versus nematic concentration and Peclet number (shear rate normalized by molecular relaxation rate). Step 2 is to overlay on the phase diagram a statistical diagnostic of the expected time, t_A, to reach a small neighborhood of every attractor A. The statistics are taken over the arbitrary quiescent director angle on the sphere, modeling experiments that begin from rest. Step 3 is to explore parameter regimes with multiple attractors, where we statistically determine the likelihood of convergence to each attractor. These statistical properties are critical for any application of theoretical models to the interpretation of experimental data. If t_A is longer than the timescale of the experiment, attractor A is never fully resonated and the relevant stress and scattering predictions are those of the transients, not the attractor. In bi-stable and tri-stable parameter regimes, which are typical of nematic polymers, a distribution of monodomains of each type will populate the sample, so experimental data must be compared with weighted averages based on the likelihood of each attractor (see Grosso et al (2003) Phys Rev Lett 90:098304). The final step is to give statistics of shear stress and normal stress differences during the approach to each attractor type, as well as typical paths of the major director that are contrasted with the results of Van Horn et al (Rheol Acta (2003) 42(6):585–589) with Leslie-Ericksen theory.     

The strain-hardening behaviour of linear and long-chain-branched polyolefin melts in extensional flows

By generalizing the Doi-Edwards model to the Molecular Stress Function theory of Wagner and Schaeffer, the extensional viscosities of polyolefin melts in uniaxial, equibiaxial and planar constant strain-rate experiments starting from the isotropic state can be described quantitatively. While the strain hardening of four linear polymer melts (two high-density polyethylenes, a polystyrene and a polypropylene) can be accounted for by a tube diameter that decreases affinely with the average stretch, the two long-chain-branched polymer melts considered (a low-density polyethylene and a long-chain branched polypropylene) show enhanced strain hardening in extensional flows due to the presence of long-chain branches. This can be quantified by a molecular stress function, the square of which is quadratic in the average stretch and which follows from the junction fluctuation theory of Flory. The ultimate magnitude of the strain-hardening effect is governed by a maximum value of the molecular stress, which is specific to the polymer melt considered and which is the only free non-linear parameter of the theory. Received: 1 June 1999/Accepted: 24 November 1999     

Stability of the tumbled state in shear flow of a nematic liquid crystal

In shear flow of a nematic liquid crystal with ₃ 0 flow alignment cannot occur. The stability of the stationary in-plane solution, the tumbled state, is investigated using abstract techniques. Employing the existence of an elastic energy a sufficient criterion for stability is formulated. This criterion depends on the in-plane solution which is obtainable as a quadrature that is non-elementary except in special cases. It is shown that the tumbled state is stable and asymptotically stable for some physical configurations. The criterion presented is not a necessary condition for stability and thus only gives a lower bound.     

The nonlinear strain measure of polyisobutylene melt in general biaxial flow and its comparison to the Doi-Edwards model

The nonlinear strain measure of a polyisobutylene (PIB) melt as determined by analysis of uniaxial, planar, ellipsoidal, and equibiaxial extensions is compared to the predictions of the molecular model of Doi and Edwards. It is found that the universal strain function of the Doi-Edwards model is unable to predict the nonlinear behavior of this polymer melt in general extensional flow. The qualitative agreement between predictions and experimental data for the strain dependence of shear stress and first normal stress difference in shear flow that was considered as powerful evidence for the correctness of the Doi-Edwards model seems to be accidental. The exaggerated strain dependence of the model suggests a need to reconsider the assumptions concerning the chain retraction process.Presented at the Golden Jubilee Conference of the British Society of Rheology and Third European Rheology Conference, Edinburgh, 3–7 September, 1990.Dedicated to Professor F.R. Schwarzl on the occasion of his 65th birthday     

On the theory of the shear-induced isotropic-to-nematic phase transition of side chain liquid-crystalline polymers

The shear-induced isotropic-to-nematic phase transition of side chain liquid-crystalline polymers is studied theoretically. A modification of the previous models of main-chain liquid crystals to the case of side chain liquid-crystalline polymers is proposed. Orientational and rheological properties of the model are studied in plane-shear flow. Predictions of the present model agree qualitatively with experimental results (Pujolle-Robic, Noirez in Nature 409:167, 2001).     

EFFECTS OF TENSOR CLOSURE MODELS AND 3-D ORIENTATION ON THE STABILITY OF FIBER SUSPENSIONS IN A CHANNEL FLOW

IntroductionFlowoffibresuspensionshasbeenveryfamiliarinmanyindustrialfields.Fibreadditivesplayanimportantroleindragreductioninmanytypesofflow[1- 3].Inthesuspensions,somebehavioroftheflowmaybealteredbythefibres.Oneoftheimportantexamplesisthehydrodynamicsta…     

Excluded volume effects on the birefringence and stress of dilute polymer solutions in extensional flow

An algorithm is derived for calculating flow-induced birefringence using a bead-spring model with and without excluded volume effects. The simulation results for the bead-spring model compare well with experimental results for stress and birefringence in extensional flows of dilute solutions of polystyrene molecular weight 2 million in a filament-stretching device in both “theta” and “good” solvents (Orr and Sridhar 1999; Sridhar et al. 2000). In a “good” solvent, both stress and birefringence rise much more rapidly with strain than in a “theta” solvent, making extensional rheology a very sensitive indicator of solvent quality. Received: 7 December 1999 Accepted: 23 May 2000     

On the orientation probability distribution of flexible fibres in a contracting channel flow

The development of fibre orientation distribution in a plane contracting channel flow is investigated with combining experiments and modelling. A dilute suspension of flexible wood fibres is used in the experiments. The salient feature of the suspension is the flexibility of the fibres. To model the fibre orientation probability distribution (FOPD) a diffusion–convection equation is used. The effect of random motion, in this case turbulence, is considered with translational and rotational diffusion coefficients. In addition to providing the inlet conditions, experiments are used to determine the rotational diffusion coefficient for the model. The work addresses the problems related to the above mentioned modelling method and combines the experiments and modelling in order to understand the mechanisms affecting the development of fibre orientation.     

Variation of fiber orientation in turbulent flow inside a planar contraction with different shapes

In this study, we have investigated the influence of shape of planar contractions on the orientation distribution of stiff fibers suspended in turbulent flow. To do this, we have employed a model for the orientational diffusion coefficient based on the data obtained by high-speed imaging of suspension flow at the centerline of a contraction with flat walls. This orientational diffusion coefficient depends only on the contraction ratio and turbulence intensity. Our measurements show that the turbulence intensity decays exponentially independent of the contraction angle. This implies that the turbulence variation in the contraction is independent of the shape, consistent with the results by the rapid distortion theory and the experimental results of axisymmetric contractions. In order to determine the orientation anisotropy, we have solved a Fokker–Planck type equation governing the orientation distribution of fibers in turbulent flow. Although the turbulence variation and the orientational diffusion are independent of the contraction shape, the results show that the variation of the orientation anisotropy is dependent on shape. This can be explained by the variation of the rotational Péclet number, Pe_r, inside the contractions. This quantity is a measure of the importance of the mean rate of the strain relative to the orientational diffusion. We have shown that when Pe_r < 10 turbulence can significantly influence the evolution of the orientation anisotropy. Since in contractions with identical inlet conditions the streamwise position where Pe_r = 10 depends on the shape, the orientation anisotropy is dependent on the variation of rate of strain in a given contraction. We demonstrate the shape effect by considering contraction with flat walls as well as three contractions with different mean rate of strain variation.     

Fingerprinting the processing behavior of polyethylenes from transient extensional flow and peel experiments in the melt state

The flow curves of linear (linear-low and high density) and branched polyethylenes are known to differ significantly. At increasing shear rates, the linear polymers exhibit a surface melt fracture or sharkskin region that is followed by an unstable oscillating or stick-slip flow regime when a constant piston speed capillary rheometer is used. At even higher shear rates, gross melt fracture appears. Unlike their linear counterparts, branched polyethylenes rarely exhibit sharkskin melt fracture and although gross melt fracture appears at high shear rates there is no discontinuity in their flow curve. The various flow regimes of these two types of polyethylenes are examined by performing experiments in the melt state using a unique extensional rheometer (the SER by Xpansion Instruments) that is capable of performing accurate extensional flow and peel experiments at very high rates not previously realized. The peel strength curves of these linear and branched polyethylenes exhibit all of the distinct flow regimes exhibited in their respective flow curves, thereby providing a fingerprint of their melt flow behavior. Moreover, these extensional flow and peel results in the melt state provide insight into the origins and mechanisms by which these melt flow phenomena may occur with regard to rapid tensile stress growth, melt rupture, and adhesive failure at the polymer wall interface.     

Structure and orientation dynamics of sepiolite fibers–poly(ethylene oxide) aqueous suspensions under extensional and shear flow,probed by in situ SAXS

The structure and orientation dynamics of sepiolite clay fibers about 1,000 nm long and 10 nm thick, suspended in an aqueous poly(ehtylene oxide) matrix of 10⁵ g/mol molecular mass, have been studied under control extensional and shear flow. A new extensional flow cell developed at the “Laboratoire de Rhéologie” and the combined rheology and small angle X-ray scattering (Rheo-SAXS) setup available at the European Synchrotron Radiation Facility have allowed access to in situ and time-resolved fiber orientations and structure properties in the volume of suspensions under flow. In the volume fractions and shear rate domains for which the suspensions exhibit shear-thinning properties, two regimes of orientation separated by a critical strain rate have been identified under extensional flow.     

Numerical simulation of the flow field in the vicinity of an axial flow fan

The main purpose of the current investigation is the development and evaluation of a numerical model used to simulate the effect of an axial flow fan on the velocity field in the vicinity of the fan blades. The axial flow fan is modeled as an actuator disc, where the actuator disc forces are calculated using blade element theory. The calculated disc forces are expressed as sources/sinks of momentum in the Navier–Stokes equations solved by a commercially available computational fluid dynamic (CFD) code, Flo⁺⁺. The model is used to determine the fan performance characteristics of an axial flow fan as well as the velocity fields directly up‐ and downstream of the fan blades. The results are compared with experimental data. In general, good agreement is obtained between the numerical results and experimental data, although the fan power consumption, as well as radial velocity downstream of the fan blades, is underpredicted by the fan model. Copyright © 2001 John Wiley & Sons, Ltd.     

A boundary‐only approach to the deformation of a shear‐thinning drop in extensional Newtonian flow

The influence of shear thinning on drop deformation is examined through a numerical simulation. A two‐dimensional formulation within the scope of the boundary element method (BEM) is proposed for a drop driven by the ambient flow inside a channel of a general shape, with emphasis on a convergent–divergent channel. The drop is assumed to be shear thinning, obeying the Carreau–Bird model and the suspending fluid is Newtonian. The viscosity of the drop at any time is estimated on the basis of a rate‐of‐strain averaged over the region occupied by the drop. The viscosity thus changes from one time step to the next, and it is strongly influenced by drop deformation. It is found that small drops, flowing on the axis, elongate in the convergent part of the channel, then regain their spherical form in the divergent part; thus confirming experimental observations. Newtonian drops placed off‐axis are found to rotate during the flow with the period related to the initial extension, i.e. to the drop aspect ratio. This rotation is strongly prohibited by shear thinning. The formulation is validated by monitoring the local change of viscosity along the interface between the drop and the suspending fluid. It is found that the viscosity averaged over the drop compares, generally to within a few per cent, with the exact viscosity along the interface.     

Research on the motion of particles in the turbulent pipe flow of fiber suspensions

The motion of fibers in turbulent pipe flow was simulated by 3-D integral method based on the slender body theory and simplified model of turbulence. The orientation distribution of fibers in the computational area for different Re numbers was computed. The results which were consistent with the experimental ones show that the fluctuation velocity of turbulence cause fibers to orient randomly. The orientation distributions become broader as the Re number increases. Then the fluctuation velocity and angular velocity of fibers were obtained. Both are affected by the fluctuation velocity of turbulence. The fluctuation velocity intensity of fiber is stronger at longitudinal than at lateral, while it was opposite for the fluctuation angular velocity intensity of fibers. Finally, the spatial distribution of fiber was given. It is obvious that the fiber dispersion is strenghened with the increase of Re numbers.