Effects of bending and torsion rigidity on deformation and breakage of flexible fibers: a direct simulation study

To understand the various mechanisms of fiber deformation of flexible fiber suspensions, we carry out a direct simulation study to analyze the effect of fiber rigidity on fiber motion in simple shear flow. Such a study may be used to investigate the critical parameters controlling the breakage of flexible fibers during processing. We model the fiber as a series of rigid spheres connected by stiff springs. The stretching, bending, and torsional rigidities are determined by Young's modulus and shear modulus to realistically model the fiber rigidity. The model correctly predicts the orbit period of fiber rotation, T ?γ, as well as the trend of critical flow strength, η ?γ/E, versus fiber aspect ratio, r(p), at which breakage occurs in simple shear flow.     

Influence of Brownian motion on blood platelet flow behavior and adhesive dynamics near a planar wall

We used the platelet adhesive dynamics computational method to study the influence of Brownian motion of a platelet on its flow characteristics near a surface in the creeping flow regime. Two important characterizations were done in this regard: (1) quantification of the platelet's ability to contact the surface by virtue of the Brownian forces and torques acting on it, and (2) determination of the relative importance of Brownian motion in promoting surface encounters in the presence of shear flow. We determined the Peclet number for a platelet undergoing Brownian motion in shear flow, which could be expressed as a simple linear function of height of the platelet centroid, H from the surface Pe (platelet) = . (1.56H + 0.66) for H > 0.3 microm. Our results demonstrate that at timescales relevant to shear flow in blood Brownian motion plays an insignificant role in influencing platelet motion or creating further opportunities for platelet-surface contact. The platelet Peclet number at shear rates >100 s-1 is large enough (>200) to neglect platelet Brownian motion in computational modeling of flow in arteries and arterioles for most practical purposes even at very close distances from the surface. We also conducted adhesive dynamics simulations to determine the effects of platelet Brownian motion on GPIbalpha-vWF-A1 single-bond dissociation dynamics. Brownian motion was found to have little effect on bond lifetime and caused minimal bond stressing as bond rupture forces were calculated to be less than 0.005 pN. We conclude from our results that, for the case of platelet-shaped cells, Brownian motion is not expected to play an important role in influencing flow characteristics, platelet-surface contact frequency, and dissociative binding phenomena under flow at physiological shear rates (>50 s(-1)).     

Dynamics of attractive vesicles in shear flow

A nonequilibrium molecular dynamics (NEMD) method is employed to study the dynamics of two identical vesicles with attractive interactions immersed in shear flow. The dynamics behaviors of attractive vesicles depend on the attractive interactions and the shear rates simultaneously. There are four motion types for attractive vesicles in shear flow: a coupled-tumbling (CTB) motion, a coupled-trembling (CTR) motion, a collision/rotation mixture (CRM) motion and a separated-tank-treading (STT) motion, which are determined by the competition between the shear flow and the attractive interactions. Furthermore, the dynamics behavior of an individual vesicle shows three main motion types such as tumbling, trembling and tank-treading motions, and relies mainly on the shear rates. Meanwhile, comparisons with rigid vesicles for the dynamics behaviors are made, and the collision/rotation mixture (M) motion isn’t observed for rigid vesicles.     

The scaling behavior of a highly aggregated colloidal suspension microstructure and its change in shear flow

The nature of the network structure and the evolution of structural change in shear flow were investigated for metal particle dispersions in terms of fractal aggregation of colloidal particles. Polymer-stabilized metal particle inks were prepared via a polyvinyl chloride coating dispersed in solvent. The fractal dimension of 1.74 was calculated with the scaling model based on the power law relationship between the elastic modulus and volume fraction. This scaling behavior can be explained by considering the deformable network structure of soft materials. While the elastic property of the floc was dominant, the limit of linearity was found at the inter-floc link, which is relatively weak and brittle. The steady shear results reveal two mechanisms that contribute to the breakdown of the microstructure in metal particle inks at increasing shear rate. Scaling of steady shear viscosity shows that these mechanisms are related to both inter-floc interactions and the elasticity of the floc itself. Further, these results suggest that individual flocs deform with weak inter-floc interactions and rupture into smaller flocs or aggregates at high shear stress, which is associated with the increased shear rate.     

A RHEOLOGICAL MODEL FOR POLYMER MELTS WITH INTERNAL STRUCTURE IN FLOW FIELDS*

Conceptually, an imagined conformation ellipsoid is supposed to represent the shape of a polymerchain for polymer melts in flow fields and to be equivalent to the volume element in a mathematical sense incontinuum mechanics. A power law dependence of shear modulus of polymer melts on detC, referred to asenvelope volume, is proposed. Based on those assumptions and the non-linear relation of shear modulus, aphenomenological viscoelastic model is derived. The model is tested in simple shear flow, simpleelongational flow, oscillatory shear flow, and relaxation process after flow suddenly stopped. The resultsshow that the model works well to predict the change of internal structure and viscoelastic performance ofpolymer melts in flow fields.     

Properties of a drag reducing micelle system

Rheological properties of a drag-reducing surfactant were investigated with the intention to find out the influence of shear rate and the duration of shear straining on the Shear Induced Structure. The ability of the surfactant to restore the broken drag-reducing network after the decrease of shear stress is well known. This property of reversible change caused by high shear at different flow conditions was compared to a more intensive mechanical straining by means of ultrasound. Observations using electronmicroscope and spectrometer are also presented.     

Nonequilibrium molecular dynamics simulation to describe the rotation of rigid, low aspect ratio carbon nanotubes in simple shear flow

In this paper, the rotation of short carbon nanotubes in simple shear liquid argon flow was investigated by nonequilibrium molecular dynamics (MD) simulation. In their simulations, nanotubes were described as rigid cylinders of carbon atoms. Lennard-Jones potential was employed to represent both argon-argon and argon-carbon interactions. Results show that time period of a nanotube as calculated from MD simulations is longer than what would be calculated from Jeffery's equation based on the aspect ratio of the cylinder. The difference is much higher at low shear rates and for small aspect ratios. Results also reveal that adding caps to an open-ended nanotube speeds up its rotation.     

Shear flow effect on phase behavior and morphology in polymer blends

The effect of simple shear flow on the phase behavior and morphology was investigated for both polystyrene/poly(vinyl methyl ether) (PS/PVME) and poly(methyl methacrylate)/poly(styrene‐co‐acrylonitrile) (PMMA /SAN‐29.5) blends, which have LCST (lower critical solution temperature)‐type phase diagram. The measurements were carried out using a special shear apparatus of two parallel glass plates type. The PS/PVME blends showed shear‐induced demixing and shear‐induced mixing at low and high shear rate values, respectively. In addition, the rotation speed and the sample thickness were found to have a pronounced effect on the phase behavior under shear flow. On the‐other hand, PMMA/SAN blend showed only shear‐induced mixing and the magnitudes of the elevation of the cloud points were found to be composition and molecular weight dependent. The morphology of the PMMA/SAN=75/25 blend indicated that shear‐induced mixing occurred at a critical shear rate value, below which the two phases were highly oriented and elongated in the flow direction.     

Coagulation and ultrafiltration: Understanding of the key parameters of the hybrid process

A hybrid coagulation–ultrafiltration process has been investigated to understand membrane performance. Coagulation prior to ultrafiltration is suspected to reduce fouling by decreasing cake resistance, limiting pore blockage and increasing backwash efficiency. Coagulation followed by tangential ultrafiltration should gather the beneficial effects of particle growth and cross-flow velocity. Our study aims at determining the key parameters to improve membrane performance, by describing floc behaviour during the hollow fibre ultrafiltration process. Flocs encounter a wide range of shear stresses that are reproduced through the utilization of different coagulation reactors. Performing a Jar-test enables the formation of flocs under soft conditions, whereas Taylor-Couette reactors can create the same shear stresses occurring in the hollow fibres or in the pump. Synthetic raw water was made by adding bentonite into tap water. Five organic coagulants (cationic polyelectrolytes) and ferric chloride were selected. Floc growth was thoroughly monitored in the different reactors by laser granulometry. Coagulation–ultrafiltration experiments revealed different process performance. The effect on the permeate flux depended on the coagulant used: some coagulants have no influence on permeate flux, another enables a 20% increase in permeate flux whereas another coagulant leads to a decrease of 50%. Flocs formed with ferric chloride do not resist shear stress and consequently have no influence on permeate flux. These results show the necessity to create large flocs, but the size is not sufficient to explain membrane performance. Even if flocs show a good resistance to shear stress, a high compactness (D_f = 3) will lead to a dramatic decrease of permeate flux by increasing the mass transfer resistance of the cake. On the contrary, flocs less resistant to shear stress, then smaller and also more open have no effect on permeate flux. An optimum was quantified for large flocs, resistant enough to shear stress facilitating flow between aggregates.     

Advective flow and floc permeability

This work monitored advection flow through a floc by bubble tracking. Close examination of the motion of a swarm of hydrogen bubbles that passed over a free-falling floc allowed the extent of advection flow to be estimated at 53% for the original activated sludge floc, and 12% for the flocculated floc. The interior permeability of the sludge flocs was estimated from this information. The fluid force exerted on the falling floc was also considered.     

Rheology and particle interaction of thickened latex

The pseudoplastic rheological properties of concentrated monodisperse polystyrene latexes with known sodium lauryl sulfate and methylcellulose surface coverages have been studied. It was assumed that the flow units of a concentrated thickened latex subjected to mechanical shear are “flocs” which comprise many particles with immobilized medium in the interstices. During shearing, the particle-particle bonds within the flocs undergo compression and stretching, sometimes breaking and reforming, causing the energy dissipation measured as the yield stress. A model was developed to calculate the average number of bonds per floc and this model was applied to an empirical modification of Firth and Hunter's elastic floc model to correlate the yield stress with the particle-particle separation pressure (defined as a measure of the interaction strength). It was found that the yield stress of a thickened latex is affected by the particle-particle interaction and the morphology of the particle flocs. The particle-particle interaction is affected by the surface coverage of thickener and emulsifier, and their concentrations in the aqueous phase, as well as other factors. The morphology of the particle flocs is affected by the particle interaction and the mechanical treatment. The adsorption of emulsifier and thickener, the rheology of the thickened latexes, the morphology of the particle flocs, and the particle-particle interactions, as well as their interrelationships, are described.     

Comparison of simple and pure shear for an incompressible isotropic hyperelastic material under large deformation

The concepts of simple and pure shear are well known in continuum mechanics. For small deformations, these states differ only by a rotation. However, correlations between them are not well defined in the case of large deformations. The main goal of this study is to compare these two states of deformation by means of experimental and theoretical approaches. An incompressible isotropic hyperelastic material was used. The experimental procedures were performed using digital image correlation (DIC). The simple shear deformation was obtained by single lap joint testing, while the pure shear was achieved by means of planar tension testing. Classical hyperelastic constitutive equations available in the literature were used. As a consequence, the results indicate that simple shear cannot be considered as pure shear combined with a rotation when large deformation is assumed, as widely considered in literature.     

Flocculation and reflocculation of clay suspension by different polymer systems under turbulent conditions

The focused beam reflectance measurement (FBRM), also known as scanning laser microscopy (SLM), was used as a real-time monitor to study the flocculation and reflocculation of clay suspensions under different shear conditions in the presence of single polymer, dual polymer, microparticle and poly(ethylene oxide)/phenolformaldehyde (PEO/PFR) flocculation systems. For initial flocculation, the high molecular weight PEO and cationic polyacrylamide (CPAM) produced larger flocs than others. However, reflocculation of clay suspensions formed by these non- or low-charged polymers was insignificant after the initial flocs were broken under high shear force. In contrast, high charge density polymers, such as poly(diallyldimethylammonium chloride) (PDADMAC), do not form large initial flocs, but they showed significant reflocculation ability under a continuous shear condition. It is concluded that high flocculation can be obtained by effective polymer bridging, but high reflocculation can only be induced by high electrostatic attractive forces between suspended particles.     

Conformational and Dynamical Evolution of Block Copolymers in Shear Flow

Conformation and dynamical evolution of block copolymers in shear flow is an important topic in polymer physics that underscores the forming process of various materials. We explored deformation and dynamics of copolymers composed of rigid or flexible blocks in simple shear flow by employing multiparticle collision dynamics integrated with molecular dynamics simulations. We found that compared with the proportion between rigid and flexible blocks, the type of the central blocks plays more important role in the conformational and dynamical evolution of copolymers. That is, if the central block is a coil, the copolymer chain takes end-over-end tumbling motion, while if the central block is a rod, the copolymer chain undergoes U-shape or S-shape deformation at mid shear rate. As the shear strength increases, all copolymers behave similar to flexible polymers at high shear rate. This can be attributed to the fact that shear flow is strong enough to overcome the buckling force of the rigid blocks. These results provide a deeper understanding of the roles played by rod and coil blocks in copolymers for phase interface during forming processing.     

Modelling of the simple shear flow of a flow-aligning nematic

The shear flow induced deformations of a nematic liquid crystal layer have been modelled numerically for the case of flow-aligning nematics. The director deviation from the plane of shear, which was predicted earlier for special surface orientation angles, has been confirmed. This deformation takes a form of director rotation about the axis perpendicular to the layer plane. As a result, transverse flow of the nematic arises. The rotation angle is close to pi at sufficiently strong shear stress, and the director is oriented at the usual flow alignment angle in a significant part of the layer. The director coming out of the shear plane should not be treated as a separate effect taking place during the flow, but rather as a way in which the usual flow-aligned structure is achieved.     

Effect of floc structure on the rate of shear coagulation

We derived a mathematical expression for the temporal evolution of the number of particles due to shear coagulation, covering the later stage by expanding the initial stage approximation to take into account the formation of floc structure. In the derivation, it is assumed that flocculation proceeds through binary collisions between identical fractal flocs. The capture efficiency between flocs is calculated on the basis of trajectory analysis, which is determined by viscous hydrodynamic interaction between flocs and van der Waals attractive forces between two primary particles located at colliding points of flocs. The validity of the derived equation was tested by a coagulation experiment using polystyrene sulfate latex particles under conditions of rapid coagulation. The experiment was carried out in a laminar Couette flow generated in the gap between two concentric cylinders. Careful and direct observation of flocculation under microscopy provided the data on the fractal dimension as well as the temporal evolution of number concentration of flocs. The measured rate of coagulation gradually increases in accordance with the formation of the fractal structure of flocs. This behavior agreed very well with the prediction based on the derived equation.     

Particle interactions in flowing suspensions

For a fully destabilized suspension of non-Brownian praticles in laminar tube flow, the extent of orthokinetic flocculation can be calculated by classical Smoluchowski theory, using the average shear rate $\text{G}$ and the average residence time $\text{t}$. It can be shown very simply that the dimensionless quantity $\text{Gt}$ (and hence the degree of flocculation) depends only on the tube dimension and not on the flow rate. However, calculations based on this approach predict far more flocculation than is observed experimentally. There are two major reasons for the discrepancy: 1) the Smoluchowski treatment of orthokinetic flocculation neglects hydrodynamic interaction between particles, which can be introduced by a semi-empirical method due to van de Ven and Mason and this step leads collision efficiencies which are considerably less than unity and depend both on shear rate and on interparticle forces; 2) the shear rate is not uniform in the tube but varies from zero at the tube axis to a maximum value at the wall. Since the major contribution to the flow comes from regions close to the tube axis, where the shear rate is low, the simple averaging procedure considerably overestimates the degree of flocculation.From experimental measurements on the degree of flocculation of dispersions achieved by laminar flow through narrow tubes at different flow rates it is possible to draw semi-quantitative conclusions concerning particle interaction and the strength of flocs.The effect of helical winding of the tube is briefly considered and shown to give more flocculation than in a straight tube. Some experimental results for latex particles destabilized by cationic polymers flowing through straight and coiled tubes are mentioned.     

Effect of orientation on the mechanism of plastic yielding of poly(ethylene terephthalate) in adsorption-active media

The effect of the preliminary orientation on the formation of crazes in poly(ethylene terephthalate) during straining in adsorption-active liquids is studied. Poly(ethylene terephthalate) is oriented by drawing at a temperature of 80°C, which is somewhat higher than its glass-transition temperature (～75°C). After orientation, samples are tested in tension in organic liquids at room temperature. At low degrees of preliminary drawing, the shear yield stress during straining in air does not increase significantly. However, the stress of craze widening rises in proportion to the degree of preliminary drawing. Thus, the orientation suppresses crazing and leads to the transition to shear flow. A model is proposed to explain the effect of orientation on crazing. According to this model, craze widening and pulling of a nonoriented polymer into the craze volume result from the formation of pores in the bases of fibrils. The formation of fibrils is caused by straining of the polymer between pores.     

Flocculated flow of microfibrillated cellulose water suspensions: an imaging approach for characterisation of rheological behaviour

Our aim was to characterise the suspension rheology of microfibrillated cellulose (MFC) in relation to flocculation of the cellulose fibrils. Measurements were carried out using a rotational rheometer and a transparent cylindrical measuring system that allows combining visual information to rheological parameters. The photographs were analyzed for their floc size distribution. Conclusions were drawn by comparing the photographs and data obtained from measurements. Variables selected for examination of MFC suspensions were degree of disintegration of fibres into microfibrils, the gap between the cylinders, sodium chloride concentration, and the effects of changing shear rate during the measurement. We studied changes in floc size under different conditions and during network structure decomposition. At rest, the suspension consisted of flocs sintered together into a network. With shearing, the network separated first into chain-like floc formations and, upon further shear rate increase, into individual spherical flocs. The size of these spherical flocs was inversely proportional to the shear rate. Investigations also confirmed that floc size depends on the geometry gap, and it affects the measured shear stress. Furthermore, suspension photographs revealed an increasing tendency to aggregation and wall depletion with sodium chloride concentration of 10⁻³ M and higher.     

Transport coefficients and orientational distributions of spheroidal particles with magnetic moment normal to the particle axis (Analysis for an applied magnetic field normal to the shear plane)

We have investigated the influence of the magnetic field strength, shear rate, and rotational Brownian motion on transport coefficients such as viscosity and diffusion coefficient, and also on the orientational distributions of rodlike particles of a dilute colloidal dispersion. The rodlike particle is modeled as a magnetic spheroidal particle which has a magnetic moment normal to the particle axis; such a particle may typically be a hematite particle. In the present study, an external magnetic field is applied in the direction normal to the shear plane of a simple shear flow. The basic equation of the orientational distribution function has been derived from the balance of torques and solved numerically. The results obtained here are summarized as follows. Although the orientational distribution function shows a sharp peak in the shear flow direction for a very strong magnetic field, such a peak is not restricted to the field direction alone, but continues in every direction of the shear plane. This is due to the characteristic particle motion that the particle can rotate around the axis of the magnetic moment in the shear plane, although the magnetic moment nearly points to the magnetic field direction. This particle motion in the shear plane causes negative values of the viscosity due to the magnetic field. The viscosity decreases, attains a minimum value, and then converges to zero as the field strength increases. Additionally, the diffusion coefficient is significantly influenced by such characteristic particle motion in the shear plane for a strong magnetic field.