Lattice Boltzmann simulations of soft matter systems

This article concerns numerical simulations of the dynamics of particles immersed in a continuum solvent. As prototypical systems, we consider colloidal dispersions of spherical particles and solutions of uncharged polymers. After a brief explanation of the concept of hydrodynamic interactions, we give a general overview over the various simulation methods that have been developed to cope with the resulting computational problems. We then focus on the approach we have developed, which couples a system of particles to a lattice Boltzmann model representing the solvent degrees of freedom. The standard D3Q19 lattice Boltzmann model is derived and explained in depth, followed by a detailed discussion of complementary methods for the coupling of solvent and solute. Colloidal dispersions are best described in terms of extended particles with appropriate boundary conditions at the surfaces, while particles with internal degrees of freedom are easier to simulate as an arrangement of mass points with frictional coupling to the solvent. In both cases, particular care has been taken to simulate thermal fluctuations in a consistent way. The usefulness of this methodology is illustrated by studies from our own research, where the dynamics of colloidal and polymeric systems has been investigated in both equilibrium and nonequilibrium situations.Comment: Review article, submitted to Advances in Polymer Science. 16 figures, 76 page

Extensional rheology and elastic instabilities of a wormlike micellar solution in a microfluidic cross-slot device

Wormlike micellar surfactant solutions are encountered in a wide variety of important applications, including enhanced oil recovery and ink-jet printing, in which the fluids are subjected to high extensional strain rates. In this contribution we present an experimental investigation of the flow of a model wormlike micellar solution (cetyl pyridinium chloride and sodium salicylate in deionised water) in a well-defined stagnation point extensional flow field generated within a microfluidic cross-slot device. We use micro-particle image velocimetry (m-PIV) and full-field birefringence microscopy coupled with macroscopic measurements of the bulk pressure drop to make a quantitative characterization of the fluid’s rheological response over a wide range of deformation rates. The flow field in the micromachined cross-slot is first characterized for viscous flow of a Newtonian fluid, and m-PIV measurements show the flow field remains symmetric and stable up to moderately high Reynolds number, Re z 20, and nominal strain rate, _3nom z 635 s1. By contrast, in the viscoelastic micellar solution the flow field remains symmetric only for low values of the strain rate such that _3nom # lM1, where lM ¼ 2.5 s is the Maxwell relaxation time of the fluid. In this stable flow regime the fluid displays a localized and elongated birefringent strand extending along the outflow streamline from the stagnation point, and estimates of the apparent extensional viscosity can be obtained using the stressoptical rule and from the total pressure drop measured across the cross-slot channel. For moderate deformation rates (_3nom $ lM1) the flow remains steady, but becomes increasingly asymmetric with increasing flow rate, eventually achieving a steady state of complete anti-symmetry characterized by a dividing streamline and birefringent strand connecting diagonally opposite corners of the cross-slot. Eventually, as the nominal imposed deformation rate is increased further, the asymmetric divided flow becomes time dependent. These purely elastic instabilities are reminiscent of those observed in crossslot flows of polymer solutions, but seem to be strongly influenced by the effects of shear localization of the micellar fluid within the microchannels and around the re-entrant corners of the cross-slot

Wall effects on the transportation of a cylindrical particle in power-law fluids

The present work deals with the numerical calculation of the Stokes-type drag undergone by a cylindrical particle perpendicularly to its axis in a power-law fluid. In unbounded medium, as all data are not available yet, we provide a numerical solution for the pseudoplastic fluid. Indeed, the Stokes-type solution exists because the Stokes’ paradox does not take place anymore. We show a high sensitivity of the solution to the confinement, and the appearance of the inertia in the proximity of the Newtonian case, where the Stokes’ paradox takes place. For unbounded medium, avoiding these traps, we show that the drag is zero for Newtonian and dilatant fluids. But in the bounded one, the Stokes-type regime is recovered for Newtonian and dilatant fluids. We give also a physical explanation of this effect which is due to the reduction of the hydrodynamic screen length, for pseudoplastic fluids. Once the solution of the unbounded medium has been obtained, we give a solution for the confined medium numerically and asymptotically. We also highlight the consequence of the confinement and the backflow on the settling velocity of a fiber perpendicularly to its axis in a slit. Using the dynamic mesh technique, we give the actual transportation velocity in a power-law “Poiseuille flow”, versus the confinement parameter and the fluidity index, induced by the hydrodynamic interactions

Modeling hydrodynamic self-propulsion with Stokesian Dynamics. Or teaching Stokesian Dynamics to swim

We develop a general framework for modeling the hydrodynamic self-propulsion (i.e., swimming) of bodies (e.g., microorganisms) at low Reynolds number via Stokesian Dynamics simulations. The swimming body is composed of many spherical particles constrained to form an assembly that deforms via relative motion of its constituent particles. The resistance tensor describing the hydrodynamic interactions among the individual particles maps directly onto that for the assembly. Specifying a particular swimming gait and imposing the condition that the swimming body is force- and torque-free determine the propulsive speed. The body’s translational and rotational velocities computed via this methodology are identical in form to that from the classical theory for the swimming of arbitrary bodies at low Reynolds number. We illustrate the generality of the method through simulations of a wide array of swimming bodies: pushers and pullers, spinners, the Taylor=Purcell swimming toroid, Taylor’s helical swimmer, Purcell’s three-link swimmer, and an amoeba-like body undergoing large-scale deformation. An open source code is a part of the supplementary material and can be used to simulate the swimming of a body with arbitrary geometry and swimming gait

Three-dimensional flow of Newtonian and Boger fluids in square-square contractions

The flow of a Newtonian fluid and a Boger fluid through sudden square–square contractions was investigated experimentally aiming to characterize the flow and provide quantitative data for benchmarking in a complex three-dimensional flow. Visualizations of the flow patterns were undertaken using streakline photography, detailed velocity field measurementswere conducted using particle image velocimetry (PIV) and pressure drop measurements were performed in various geometries with different contraction ratios. For the Newtonian fluid, the experimental results are compared with numerical simulations performed using a finite volume method, and excellent agreement is found for the range of Reynolds number tested (Re2 ≤23). For the viscoelastic case, recirculations are still present upstream of the contraction but we also observe other complex flow patterns that are dependent on contraction ratio (CR) and Deborah number (De2) for the range of conditions studied: CR = 2.4, 4, 8, 12 and De2 ≤150. For low contraction ratios strong divergent flow is observed upstream of the contraction, whereas for high contraction ratios there is no upstream divergent flow, except in the vicinity of the re-entrant corner where a localized a typical divergent flow is observed. For all contraction ratios studied, at sufficiently high Deborah numbers, strong elastic vortex enhancement upstream of the contraction is observed, which leads to the onset of a periodic complex flow at higher flow rates. The vortices observed under steady flow are not closed, and fluid elasticity was found to modify the flow direction within the recirculations as compared to that found for Newtonian fluids. The entry pressure drop, quantified using a Couette correction, was found to increase with the Deborah number for the higher contraction ratios