Turbulent collision of inertial particles: point-particle based, hybrid simulations and beyond

Point-particle based direct numerical simulation (PPDNS) has been a productive research tool for studying both single-particle and particle-pair statistics of inertial particles suspended in a turbulent carrier flow. Here we focus on its use in addressing particle-pair statistics relevant to the quantification of turbulent collision rate of inertial particles. PPDNS is particularly useful as the interaction of particles with small-scale (dissipative) turbulent motion of the carrier flow is mostly relevant. Furthermore, since the particle size may be much smaller than the Kolmogorov length of the background fluid turbulence, a large number of particles are needed to accumulate meaningful pair statistics. Starting from the relative simple Lagrangian tracking of so-called ghost particles, PPDNS has significantly advanced our theoretical understanding of the kinematic formulation of the turbulent geometric collision kernel by providing essential data on dynamic collision kernel, radial relative velocity, and radial distribution function. A recent extension of PPDNS is a hybrid direct numerical simulation (HDNS) approach in which the effect of local hydrodynamic interactions of particles is considered, allowing quantitative assessment of the enhancement of collision efficiency by fluid turbulence. Limitations and open issues in PPDNS and HDNS are discussed. Finally, on-going studies of turbulent collision of inertial particles using large-eddy simulations and particle- resolved simulations are briefly discussed.

Numerical study on heavy rigid particle motion in a plane wake flow by spectral element method

Experimental particle dispersion patterns in a plane wake flow at a high Reynolds number have been predicted numerically by discrete vortex method (Phys. Fluids A 1992; 4:2244-2251; Int. J. Multiphase Flow 2000; 26:1583-1607). To address the particle motion at a moderate Reynolds number, spectral element method is employed to provide an instantaneous wake flow field for particle dynamics equations, which are solved to make a detail classification of the patterns in relation to the Stokes and Froude numbers. It is found that particle motion features only depend on the Stokes number at a high Froude number and depend on both numbers at a low Froude number. A ratio of the Stokes number to squared Froude number is introduced and threshold values of this parameter are evaluated that delineate the different regions of particle behavior. The parameter describes approximately the gravitational settling velocity divided by the characteristic velocity of wake flow. In order to present effects of particle density but preserve rigid sphere, hollow sphere particle dynamics in the plane wake flow is investigated. The evolution of hollow particle motion patterns for the increase of equivalent particle density corresponds to that of solid particle motion patterns for the decrease of particle size. Although the thresholds change a little, the parameter can still make a good qualitative classification of particle motion patterns as the inner diameter changes.

Subgrid scale fluid velocity timescales seen by inertial particles in large-eddy simulation of particle-laden turbulence

Large-eddy simulation (LES) has emerged as a promising tool for simulating turbulent flows in general and, in recent years,has also been applied to the particle-laden turbulence with some success (Kassinos et al., 2007). The motion of inertial particles is much more complicated than fluid elements, and therefore, LES of turbulent flow laden with inertial particles encounters new challenges. In the conventional LES, only large-scale eddies are explicitly resolved and the effects of unresolved, small or subgrid scale (SGS) eddies on the large-scale eddies are modeled. The SGS turbulent flow field is not available. The effects of SGS turbulent velocity field on particle motion have been studied by Wang and Squires (1996), Armenio et al. (1999), Yamamoto et al. (2001), Shotorban and Mashayek (2006a,b), Fede and Simonin (2006), Berrouk et al. (2007), Bini and Jones (2008), and Pozorski and Apte (2009), amongst others. One contemporary method to include the effects of SGS eddies on inertial particle motions is to introduce a stochastic differential equation (SDE), that is, a Langevin stochastic equation to model the SGS fluid velocity seen by inertial particles (Fede et al., 2006; Shotorban and Mashayek, 2006a; Shotorban and Mashayek, 2006b; Berrouk et al., 2007; Bini and Jones, 2008; Pozorski and Apte, 2009).However, the accuracy of such a Langevin equation model depends primarily on the prescription of the SGS fluid velocity autocorrelation time seen by an inertial particle or the inertial particle–SGS eddy interaction timescale (denoted by $\delt T_{Lp}$ and a second model constant in the diffusion term which controls the intensity of the random force received by an inertial particle (denoted by C_0, see Eq. (7)). From the theoretical point of view, dTLp differs significantly from the Lagrangian fluid velocity correlation time (Reeks, 1977; Wang and Stock, 1993), and this carries the essential nonlinearity in the statistical modeling of particle motion. dTLp and C0 may depend on the filter width and particle Stokes number even for a given turbulent flow. In previous studies, dTLp is modeled either by the fluid SGS Lagrangian timescale (Fede et al., 2006; Shotorban and Mashayek, 2006b; Pozorski and Apte, 2009; Bini and Jones, 2008) or by a simple extension of the timescale obtained from the full flow field (Berrouk et al., 2007). In this work, we shall study the subtle and on-monotonic dependence of $\delt T_{Lp}$ on the filter width and particle Stokes number using a flow field obtained from Direct Numerical Simulation (DNS). We then propose an empirical closure model for $\delta T_{Lp}$. Finally, the model is validated against LES of particle-laden turbulence in predicting single-particle statistics such as particle kinetic energy. As a first step, we consider the particle motion under the one-way coupling assumption in isotropic turbulent flow and neglect the gravitational settling effect. The one-way coupling assumption is only valid for low particle mass loading.

Numerical simulation of a single fluid particle rising in non-Newtonian fluids

In this work, a level set method is developed for simulating the motion of a fluid particle rising in non-Newtonian fluids described by generalized Newtonian as well as viscoelastic model fluids. As the shear-thinning model we use a Carreau-Yasuda model, and the viscoelastic effect can be modeled with Oldroyd-B constitutive equations. The control volume formulation with the SIMPLEC algorithm incorporated is used to solve the governing equations on a staggered Eulerian grid. The level set method is implemented to compute the motion of a bubble in a Newtonian fluid as one of typical examples for validation, and the computational results are in good agreement with the reported experimental data．The level set method is also applied for simulating a Newtonian drop rising in Carreau-Yasuda and Oldroyd-B fluids．Numerical results including noticeably negative wake behind the drop and viscosity field are obtained, and compare satisfactorily with the known literature data.

Laser-Induced Particle Jet And Its Ignition Application In Premixed Combustible Gases

A hot particle jet is induced as a laser pulse from a free oscillated Nd:YAG laser focused on a coal target. The particle jet successfully initiates combustion in a premixed combustible gas consisting of hydrogen, oxygen, and air. The experiment reveals that the ionization of the particle jet is enhanced during the laser pulse. This characteristic is attributed to the electron cascade process and the ionization of the particles or molecules of the target. The initial free electrons, which are ablated from the coal target, are accelerated by the laser pulse through the inverse Bremsstrahlung process and then collide with the neutrals in the jet, causing the latter to be ionized.

Development of an efficient particle approach for micro-scale gas flow simulations

The micro-scale gas flows are usually low-speed flows and exhibit rarefied gas effects. It is challenging to simulate these flows because traditional CFD method is unable to capture the rarefied gas effects and the direct simulation Monte Carlo (DSMC) method is very inefficient for low-speed flows. In this study we combine two techniques to improve the efficiency of the DSMC method. The information preservation technique is used to reduce the statistical noise and the cell-size relaxed technique is employed to increase the effective cell size. The new cell-size relaxed IP method is found capable of simulating micro-scale gas flows as shown by the 2D lid-driven cavity flows.

Smoothed Particle Hydrodynamics (SPH): an Overview and Recent Developments

Smoothed particle hydrodynamics (SPH) is a meshfree particle method based on Lagrangian formulation, and has been widely applied to different areas in engineering and science. This paper presents an overview on the SPH method and its recent developments, including (1) the need for meshfree particle methods, and advantages of SPH, (2) approximation schemes of the conventional SPH method and numerical techniques for deriving SPH formulations for partial differential equations such as the Navier-Stokes (N-S) equations, (3) the role of the smoothing kernel functions and a general approach to construct smoothing kernel functions, (4) kernel and particle consistency for the SPH method, and approaches for restoring particle consistency, (5) several important numerical aspects, and (6) some recent applications of SPH. The paper ends with some concluding remarks.

Dissipative particle dynamics simulation of wettability alternation phenomena in the chemical flooding process

Wettability alternation phenomena is considered one of the most important enhanced oil recovery (EOR) mechanisms in the chemical flooding process and induced by the adsorption of surfactant on the rock surface. These phenomena are studied by a mesoscopic method named as dissipative particle dynamics (DPD). Both the alteration phenomena of water-wet to oil-wet and that of oil-wet to water-wet are simulated based on reasonable definition of interaction parameters between beads. The wetting hysteresis phenomenon and the process of oil-drops detachment from rock surfaces with different wettability are simulated by adding long-range external forces on the fluid particles. The simulation results show that, the oil drop is liable to spread on the oil-wetting surface and move in the form of liquid film flow, whereas it is likely to move as a whole on the water-wetting surface. There are the same phenomena occuring in wettability-alternated cases. The results also show that DPD method provides a feasible approach to the problems of seepage flow with physicochemical phenomena and can be used to study the mechanism of EOR of chemical flooding.

Movement of a Spherical Brownian Particle Between Infinite Parallel Plates: Hindered Dispersion and Sedimentation

The dispersion of an isolated, spherical, Brownian particle immersed in a Newtonian fluid between infinite parallel plates is investigated. Expressions are developed for both a 'molecular' contribution to dispersion, which arises from random thermal fluctuations, and a 'convective' contribution, arising when a shear flow is applied between the plates. These expressions are evaluated numerically for all sizes of the particle relative to the bounding plates, and the method of matched asymptotic expansions is used to develop analytical expressions for the dispersion coefficients as a function of particle size to plate spacing ratio for small values of this parameter.

It is shown that both the molecular and convective dispersion coefficients decrease as the size of the particle relative to the bounding plates increase. When the particle is small compared to the plate spacing, the coefficients decrease roughly proportional to the particle size to plate spacing ratio. When the particle closely fills the space between the plates, the molecular dispersion coefficient approaches zero slowly as an inverse logarithmic function of the particle size to plate spacing ratio, and the convective dispersion coefficent approaches zero approximately proportional to the width of the gap between the edges of the sphere and the bounding plates.

Physical investigations of small particles : (I) aerosol particle charging and flux enhancement and (II) whispering gallery mode sensing

Part I

Particles are a key feature of planetary atmospheres. On Earth they represent the greatest source of uncertainty in the global energy budget. This uncertainty can be addressed by making more measurement, by improving the theoretical analysis of measurements, and by better modeling basic particle nucleation and initial particle growth within an atmosphere. This work will focus on the latter two methods of improvement.

Uncertainty in measurements is largely due to particle charging. Accurate descriptions of particle charging are challenging because one deals with particles in a gas as opposed to a vacuum, so different length scales come into play. Previous studies have considered the effects of transition between the continuum and kinetic regime and the effects of two and three body interactions within the kinetic regime. These studies, however, use questionable assumptions about the charging process which resulted in skewed observations, and bias in the proposed dynamics of aerosol particles. These assumptions affect both the ions and particles in the system. Ions are assumed to be point monopoles that have a single characteristic speed rather than follow a distribution. Particles are assumed to be perfect conductors that have up to five elementary charges on them. The effects of three body interaction, ion-molecule-particle, are also overestimated. By revising this theory so that the basic physical attributes of both ions and particles and their interactions are better represented, we are able to make more accurate predictions of particle charging in both the kinetic and continuum regimes.

The same revised theory that was used above to model ion charging can also be applied to the flux of neutral vapor phase molecules to a particle or initial cluster. Using these results we can model the vapor flux to a neutral or charged particle due to diffusion and electromagnetic interactions. In many classical theories currently applied to these models, the finite size of the molecule and the electromagnetic interaction between the molecule and particle, especially for the neutral particle case, are completely ignored, or, as is often the case for a permanent dipole vapor species, strongly underestimated. Comparing our model to these classical models we determine an “enhancement factor” to characterize how important the addition of these physical parameters and processes is to the understanding of particle nucleation and growth.

Part II

Whispering gallery mode (WGM) optical biosensors are capable of extraordinarily sensitive specific and non-specific detection of species suspended in a gas or fluid. Recent experimental results suggest that these devices may attain single-molecule sensitivity to protein solutions in the form of stepwise shifts in their resonance wavelength, \lambda_{R}, but present sensor models predict much smaller steps than were reported. This study examines the physical interaction between a WGM sensor and a molecule adsorbed to its surface, exploring assumptions made in previous efforts to model WGM sensor behavior, and describing computational schemes that model the experiments for which single protein sensitivity was reported. The resulting model is used to simulate sensor performance, within constraints imposed by the limited material property data. On this basis, we conclude that nonlinear optical effects would be needed to attain the reported sensitivity, and that, in the experiments for which extreme sensitivity was reported, a bound protein experiences optical energy fluxes too high for such effects to be ignored.

Effects of particle size ratio on single particle motion in colloidal dispersions

The motion of a single Brownian particle of arbitrary size through a dilute colloidal dispersion of neutrally buoyant bath spheres of another characteristic size in a Newtonian solvent is examined in two contexts. First, the particle in question, the probe particle, is subject to a constant applied external force drawing it through the suspension as a simple model for active and nonlinear microrheology. The strength of the applied external force, normalized by the restoring forces of Brownian motion, is the Péclet number, Pe. This dimensionless quantity describes how strongly the probe is upsetting the equilibrium distribution of the bath particles. The mean motion and fluctuations in the probe position are related to interpreted quantities of an effective viscosity of the suspension. These interpreted quantities are calculated to first order in the volume fraction of bath particles and are intimately tied to the spatial distribution, or microstructure, of bath particles relative to the probe. For weak Pe, the disturbance to the equilibrium microstructure is dipolar in nature, with accumulation and depletion regions on the front and rear faces of the probe, respectively. With increasing applied force, the accumulation region compresses to form a thin boundary layer whose thickness scales with the inverse of Pe. The depletion region lengthens to form a trailing wake. The magnitude of the microstructural disturbance is found to grow with increasing bath particle size -- small bath particles in the solvent resemble a continuum with effective microviscosity given by Einstein's viscosity correction for a dilute dispersion of spheres. Large bath particles readily advect toward the minimum approach distance possible between the probe and bath particle, and the probe and bath particle pair rotating as a doublet is the primary mechanism by which the probe particle is able to move past; this is a process that slows the motion of the probe by a factor of the size ratio. The intrinsic microviscosity is found to force thin at low Péclet number due to decreasing contributions from Brownian motion, and force thicken at high Péclet number due to the increasing influence of the configuration-averaged reduction in the probe's hydrodynamic self mobility. Nonmonotonicity at finite sizes is evident in the limiting high-Pe intrinsic microviscosity plateau as a function of bath-to-probe particle size ratio. The intrinsic microviscosity is found to grow with the size ratio for very small probes even at large-but-finite Péclet numbers. However, even a small repulsive interparticle potential, that excludes lubrication interactions, can reduce this intrinsic microviscosity back to an order one quantity. The results of this active microrheology study are compared to previous theoretical studies of falling-ball and towed-ball rheometry and sedimentation and diffusion in polydisperse suspensions, and the singular limit of full hydrodynamic interactions is noted.

Second, the probe particle in question is no longer subject to a constant applied external force. Rather, the particle is considered to be a catalytically-active motor, consuming the bath reactant particles on its reactive face while passively colliding with reactant particles on its inert face. By creating an asymmetric distribution of reactant about its surface, the motor is able to diffusiophoretically propel itself with some mean velocity. The effects of finite size of the solute are examined on the leading order diffusive microstructure of reactant about the motor. Brownian and interparticle contributions to the motor velocity are computed for several interparticle interaction potential lengths and finite reactant-to-motor particle size ratios, with the dimensionless motor velocity increasing with decreasing motor size. A discussion on Brownian rotation frames the context in which these results could be applicable, and future directions are proposed which properly incorporate reactant advection at high motor velocities.