Self-consistent particle simulation of model-stabilized colloidal suspensions

Dynamics of model-stabilized colloidal suspensions were investigated by the self-consistent particle simulation method (SC), a new simulation algorithm that takes into account the interaction between the particles and suspending fluid. In this method, the fluid-particle interaction is introduced self-consistently by combining the finite element method (FEM) for fluid motion with Brownian dynamics (BD) for particle dynamics. To validate the reliability of the proposed algorithm, the shear dynamics of the stable particle suspensions were investigated. Relative viscosity and microstructure as a function of dimensionless shear rate at different volume fractions were in good agreement with previous observations. The robustness of the method was also verified through numerical convergence test. The effect of the fluid-particle interaction was well represented in simulations of two model problems, pressure-driven channel flow and rotating Couette flow. Plug-shaped velocity profile was observed in pressure-driven channel flow, which arised from shear thinning behavior of the stable suspension. In rotating Couette flow, shear banded nonlinear flow profile was observed. Although full hydrodynamic interaction (HI) was not rigorously taken into account, it successfully captured the macroscopic structure-induced flow field. It also takes advantage of the geometrical adaptability of FEM and computational efficiency of BD. We expect this newly developed simulation platform to be useful and efficient for probing the complex flow dynamics of particle systems as well as for practical applications in the complex flow of complex fluids.     

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A hybrid computational method coupling the lattice-Boltzmann (LB) method and a Langevin-dynamics (LD) method is developed to simulate nanoscale particle and polymer (NPP) suspensions in the presence of both thermal fluctuation and long-range many-body hydrodynamic interactions (HIs). Brownian motion of the NPP is explicitly captured by a stochastic forcing term in the LD method. The LD method is two-way coupled to the nonfluctuating LB fluid through a discrete LB forcing source distribution to capture the long-range HI. To ensure intrinsically linear scalability with respect to the number of particles, a Eulerian-host algorithm for short-distance particle neighbor search and interaction is developed and embedded to LB-LD framework. The validity and accuracy of the LB-LD approach are demonstrated through several sample problems. The simulation results show good agreements with theory and experiment. The LB-LD approach can be favorably incorporated into complex multiscale computational frameworks for efficiently simulating multiscale multicomponent particulate suspension systems such as complex blood suspensions.     

悬浮颗粒运动的格子Boltzmann数值模拟

将固体颗粒的牛顿力学和格子Boltzmann方法相结合,研究不规则形状悬浮颗粒在流场中的运动。通过受力分析,精确求得其所受合力、合力矩、合力作用中心等。提出了跟随颗粒运动的动网格计算域技术和模拟悬浮颗粒转动运动的局部数组方法及Euler-Lagrange两套坐标技术。通过对椭圆颗粒运动的数值模拟和对照他人对矩形颗粒的研究,分析了其复杂运动规律,并提供了合理的物理解释。结果表明:运用格子Boltzmann方法和上述特殊技术可以得到与有限元方法相同的模拟精度,且具有计算速度快、对复杂形状边界处理方便灵活、程序简单及特别适合大规模并行计算等优点。     

Numerical simulation of particle migration in asymmetric bifurcation channel

In this work we provide numerical validation of the particle migration during flow of concentrated suspension in asymmetric T-junction bifurcation channel observed in a recent experiment [1]. The mathematical models developed to explain particle migration phenomenon basically fall into two categories, namely, suspension balance model and diffusive flux model. These models have been successfully applied to explain migration behavior in several two-dimensional flows. However, many processes often involve flow in complex 3D geometries. In this work we have carried out numerical simulation of concentrated suspension flow in 3D bifurcation geometry using the diffusive flux model. The simulation method was validated with available experimental and theoretical results for channel flow. After validation of the method we have applied the simulation technique to study the flow of concentrated suspensions through an asymmetric T-junction bifurcation composed of rectangular channels. It is observed that in the span-wise direction inhomogeneous concentration distribution that develops upstream persists throughout the inlet and downstream channels. Due to the migration of particles near the bifurcation section there is almost equal partitioning of flow in the two downstream branches. The detailed comparison of numerical simulation results is made with the experimental data.     

In situ flow visualization of capillary flow of concentrated alumina suspensions

A new approach was taken to understand the flow behavior of concentrated particle suspensions in pressure-driven capillary flow. The flow of concentrated alumina suspensions in a slit channel was visualized and quantitatively analyzed with modified capillary rheometer. The suspensions showed complex flow behaviors; unique solid–liquid transition and shear banding. At low flow rates, 55 vol% alumina suspension showed a unique transient flow behavior; there was no flow at first and continuous change of flow profile was observed with time. At low shear rates in particular, the suspensions exhibited shear-banded flow profile which could be divided into three regions: the region with low flow rate near the wall, the region with rapid increase of flow velocity to maximum, and the region of velocity plateau. Based on both flow visualization and measurement of shear stress, it was found that the shear-banded flow profile in pressure-driven slit channel flow was strongly correlated with shear stress. The banding in pressure-driven flow was different from that in Couette flow. The banding of concentrated alumina suspensions was unique in that sluggish velocity profile was pronounced and two inflection points in velocity profile was exhibited. In this study, shear banding of concentrated alumina suspensions in slit channel flow was visualized and quantitatively analyzed. We expect that this approach can be an effective method to understand the flow behavior of particulate suspensions in the pressure-driven flow which is typical in industrial processing.     

Flow simulations with multi-particle collision dynamics

Multi-particle collision dynamics (MPCD) is a particle based Navier-Stokes solver and in the last ten years it has been largely used to analyze mesoscopic systems where both hydrodynamics and thermal effects have to be taken into account, typical examples being colloidal suspensions and polymer solutions. Though the soundness of this approach is well documented, only a few studies present a systematic validation of the method as a Navier-Stokes solver for relatively complex flows (e.g. unsteady, non-uniform). In this study we use MPCD to simulate an unsteady periodic flow (second Stokes?? problem) and a two dimensional flow (lid-driven cavity). Quantitative comparisons with analytical and finite difference results show that MPCD is able to correctly reproduce the hydrodynamics of these systems in a wide range of numerical parameter values, allowing the applications of MPCD to the analysis of complex fluids in confined geometries such as in Lab-On-a-Chip microfluidic devices. Discrepancies for certain parameter ranges and in specific flow conditions are singled out and discussed.     

CFD development for macro particle simulations

Numerous industrial operations involve fluid-particle systems, in which both phases display very complex behaviour. Some examples include fluidisation technology in catalytic reactors, pneumatic transportation of grain or powder materials, carbon nanotube alignment in the nano-devices and circuit integration and so on. In this paper, a macro particle method is developed to model the fluid-particle flows. The macro particle is formed by a collection of micro-sized particles so that the number of macro particles to be tracked is much less than the number of smaller particles. Unlike the calculations of instantaneous point variables of fluid phase with moving discrete boundaries of the smaller particles with direct numerical simulation, the boundary of each macro particle is just dealt with the blocked-off approach. On the other hand, the flow fields based on the present method is solved by original Navier–Stokes, rather than the modified ones based on the locally averaged theorem. The flow fields are solved on the length scale of computational cells, while the resolutions of solid particles are the size of macro particle, which is determined as needed in specific applications. The macro particle method is validated by several selected cases, which demonstrate that the macro particle method could accurately resolve fluid-particle systems in an efficient, robust and flexible fashion.     

Analysis of the flow in inhomogeneous particle beds using the spatially averaged two-fluid equations

The drag force term appearing in two-fluid models for fluid–particle flows is commonly closed by expressing it as a function of the local quantities, such as the local particle volume fraction, the local slip velocity between the particle and fluid phases, and the local mean-squared fluctuating velocity of the particles. The adequacy of such closures for inhomogeneous suspensions has been debated in the literature and some researchers have suggested the need for additional terms involving spatial gradients in these quantities. To test this proposition, simulations of flow in inhomogeneous steady beds of particles have been performed using the lattice-Boltzmann method. The particle beds consisted of disordered assemblies with a density profile on a scale much larger than the particle radius. Inhomogeneous beds with a controlled density profile were generated in three different ways, (i) by inhomogeneous stretching of the particle bed in one direction, (ii) by applying an inhomogeneous force to the particle phase during random motion of the particles, and (iii) by taking snapshots of a direct simulation of a traveling wave in a fluidization simulation. The global structure of the three beds was comparable, while assessment of the radial distribution functions showed that the three beds exhibited clearly different microscopic structures.     

Direct numerical simulation of particle–fluid systems by combining time-driven hard-sphere model and lattice Boltzmann method

A coupled numerical method for the direct numerical simulation of particle–fluid systems is formulated and implemented, resolving an order of magnitude smaller than particle size. The particle motion is described by the time-driven hard-sphere model, while the hydrodynamic equations governing fluid flow are solved by the lattice Boltzmann method (LBM). Particle–fluid coupling is realized by an immersed boundary method (IBM), which considers the effect of boundary on surrounding fluid as a restoring force added to the governing equations of the fluid. The proposed scheme is validated in the classical flow-around-cylinder simulations, and preliminary application of this scheme to fluidization is reported, demonstrating it to be a promising computational strategy for better understanding complex behavior in particle–fluid systems.     

Towards high-fidelity erosion prediction: On time-accurate particle tracking in turbomachinery

Erosion and fouling caused by ingested particles causes performance degradation and safety issues in turbomachinery components. Simulating these processes is a complex multiphysics and multiscale problem which has not reached a satisfactory level of maturity yet. The current state of the art approach is based on RANS solutions, which provide an averaged carrier phase on which the particles are advanced in an a posteriori manner. Upon wall impact, the particle quantities are then fed to the erosion and rebound models. In this work, we present as an alternative to this approach an Eulerian/Lagrangian simulation framework of high-order accuracy in space and time for the time-resolved prediction of particle motion in complex flows. We apply it to the LES of a particle-laden flow over a T106C low pressure turbine linear cascade. We then contrast time-averaged and time-accurate flow fields as carrier phases for the particles and highlight how the associated modeling assumptions influence the solution. Based on the particle Stokes number, we identify characteristic regimes and their interaction with the flow phase. By a detailed comparison of the particle statistics, we highlight the effects of turbulent small scale behavior and define the modeling challenges associated with finding accurate particle closure models for time-averaged simulations. This framework constitutes a first step towards high-fidelity erosion prediction for turbomachinery applications.     

岩石结构面直剪力学特征的颗粒流宏细观分析

目前,由于颗粒尺寸和位置随机分布而产生的粗糙度,导致在模拟过程中出现应力集中现象,从而无法利用PFC2D准确模拟岩石结构面的剪切力学行为。为了避免以上弊端,采用结构面两侧颗粒组接触判别法分别对倾角为20°和30°的三角形单锯齿结构面进行不同法向应力下的直剪模拟。模拟结果与物理试验结果基本吻合,表明此模拟方法可以真实模拟岩石结构面剪切力学行为。为了进一步验证此模拟方法在天然结构面模拟试验中的可行性,利用PFC2D对Barton标准十条节理轮廓线模型进行不同法向应力下的直剪试验,模拟结果与理论值吻合,表明模拟方法具有可行性,为剪切破坏过程和机理分析提供可靠的理论依据,为研究粗糙结构面强度特征提供了一种思路。     

Methodology for numerical simulations of ellipsoidal particle-laden flows

Despite being relevant in many natural and industrial processes, suspensions of nonspherical particles have been largely underinvestigated compared with the extensive analyses made on the gravity-driven motions of spherical particles. One of the main reasons for this disparity is the difficulty of accurately correcting the short-range hydrodynamic forces and torques acting on complex particles. These effects, also known as lubrication, are essential to the suspension of the particles and are usually poorly captured by direct numerical simulation of particle-laden flows. In this article, we propose a partitioned volume penalization-discrete element method solver, which estimates the unresolved hydrodynamic forces and torques. Corrections are made locally on the surface of the interacting particles without any assumption on the particle global geometry. Numerical validations have been made using ellipsoidal particles immersed in an incompressible Navier-Stokes flow.     

Numerical simulation of sedimentation of microparticles using the discrete particle method

A mathematical model has been formulated based on the combined continuous and discrete particle method for investigating the sedimentation behaviour of microparticles in aqueous suspensions, by treating the fluid phase as continuous and the particles phase as discrete, thus allowing the behaviour of individual particles to be followed and the evolution of the structure of the particle phase to be investigated as a function of time. The model takes into account most of the prevailing forces acting on individual particles including van der Waals attractive, electrostatic repulsive, gravitational, Brownian, depletion, steric, contact and drag forces. A code has also been developed based on the model. This paper reports some preliminary modelling results of mono-dispersed microparticles settling in aqueous suspensions under various conditions. The results show the short time dynamics of the fluid phase, which has a similar order of magnitude to the particle phase. Such short time dynamics could bear significance to processes such as particle aggregation when their size becomes very small. Preliminary analyses of the results have also been carried out on the evolution of particle settling based on a newly proposed parameter, local normalised volume fraction （LNVF）.     

Transient shear flow behavior of concentrated long glass fiber suspensions in a sliding plate rheometer

In order to eventually predict the behavior of long fiber suspensions in complex flows commonly found in processing operations, it is necessary to understand their rheology and its connection to the evolution of fiber orientation and configuration in well defined flows. In this paper we report the transient behavior at the startup of shear flow of a polymer melt containing long glass fibers with a length (L) >1 mm, using a sliding plate rheometer (SPR). The operation of the SPR was confirmed by comparing the transient shear viscosity (η⁺) for a polymer melt and a melt containing short glass fibers (L < 1 mm) with measurements obtained from a cone-and-plate device, using a modified sample geometry that was designed to avoid wall effects. For the long fiber systems, measurements could only be obtained in the SPR because these systems would not stay within the gap of the rotational rheometer. Transient stress growth behavior of the long fiber systems was obtained as a function of shear rate and fiber concentration for samples prepared with three different initial orientations. Results showed that, unlike short fiber systems (with a random planar initial orientation) that usually exhibit a single overshoot peak followed by a steady state, η⁺ of the long fiber suspensions often passed through multiple transient regions, depending on the fiber concentration and applied shear rate. Additionally, η⁺ of the long fiber suspensions was found to be highly dependent on the initial orientation of the sheared samples. Finally, the initial and final fiber orientations of the long glass fiber samples were measured and used to initiate an explanation of the viscosity behavior. The results obtained in this research will be useful for future assessment of a quantitative correlation between transient rheology and the evolution of fiber orientation.     

Shear behaviour of biopolymer suspensions with spheroidal and cylindrical particles

The rheological behaviour of suspensions is influenced by many parameters, one of which is the particle shape. For rigid particle suspensions a number of studies demonstrate the effects of the particle aspect ratio. Indeed, fibres are widely used as rheology modifiers in different materials such as synthetic polymers. This work is concerned with testing the hypothesis that regularly shaped particles with aspect ratios larger than one that are made of gelled biopolymers could be used as rheology modifiers for biopolymer solutions. Biopolymers, and mixtures thereof are a widely used ingredient in foods and other products with structure functionality. Tailoring rheology modifiers by morphology offers an alternative to using different biopolymers. It is demonstrated how biopolymer suspensions with regular spheroidal, or cylindrical particle shapes can be produced by gelling the droplet phase of a liquid two phase biopolymer mixture in a shear field. Biopolymers were chosen such that gelation is initiated by cooling. Shear-cooling at constant stresses leads to the formation of ellipsoidal particles. Cylindrical particles can be generated by stepping up the shear stress prior to gelation, i.e., stretching the droplet phase into fibrils, and trapping the shape prior to break-up through gelation. Morphologies and steady shear rheological data for suspensions of the two biopolymers gellan and κ-carrageenan with an internal phase volume of 0.2 are reported. The influence of particle shape on relative viscosity is pronounced. At high shear stresses particle orientation leads to decreased viscosity with increasing particle aspect ratio. In the low shear region, higher aspect ratio suspensions show higher viscosities. Additionally, the material properties, including the interfacial tension, which influence the suspension morphology are reported. Received: 3 March 2000 Accepted: 22 August 2000     

Galilean invariance in the lattice-Boltzmann method and its effect on the calculation of rheological properties in suspensions

The lattice-Boltzmann method (LBM) provides an efficient simulation technique for the study of particle suspensions. These simulations provide an important tool in elucidating the effect of suspended particles on the rheology of suspensions. The most common solid–fluid boundary condition used in the LBM is the bounce-back operation, and as such, the errors introduced by this operation to the dynamics of the particles and the calculation of relevant rheological quantities must be quantified. This paper derives the Galilean invariant term in the standard bounce-back operation and shows the effect of this error on the calculation of particle dynamics and stresslet. In particular, an error is found in the calculation of normal stresses that may be significant in magnitude compared with typical values found in suspensions of rigid spherical particles. A correction is proposed, and simulation results are shown that verify the original assessment and show the reduction of error when using the proposed correction.     

非等温黏弹性复杂流动的改进SPH方法模拟

非等温黏弹性流体广泛存在于自然界和工业生产中,准确预测黏弹性流体的非等温流动机理和复杂流变特性有着重要的应用价值.文章提出一种改进的光滑粒子流体动力学(smoothed particle hydrodynamics,SPH)方法对非等温黏弹性复杂流动进行了数值模拟,其中流体的黏弹特性通过eXtended Pom-Pom本构模型来表征.为了提高模拟结果的精度,采用了一种核函数梯度的修正算法;为了灵活地施加边界条件,发展了边界粒子和虚拟粒子相联合的边界处理方法;为了消除流动过程中的拉伸不稳定性,施加了粒子迁移技术.运用改进SPH方法数值模拟了液滴撞击固壁和F型腔注塑成型问题,通过与Basilisk软件得到的结果进行比较验证了改进SPH方法求解非等温黏弹性流体的有效性.通过利用不同粒子初始间距进行计算,评价了改进SPH方法的数值收敛性.研究了非等温流动相较于等温流动的不同流动特征,深入分析了不同热流变参数对流动过程的影响.数值结果表明,文章提出的改进SPH方法可稳定、准确地描述非等温黏弹性复杂流动的传热机理、复杂流变特性和自由面变化特性.     

基于超二次曲面的非球形离散单元模型研究

通过对颗粒体系接触过程的运动学和动力学分析,建立了一种基于超二次曲面的非球形离散单元模型,该模型避免了球形接触模型描述颗粒形状的局限性,使离散单元法更接近物理事实,并在此基础上提出了计算求解模型的数值方法,实现了对复杂形状的颗粒体系的模拟计算。将所建立的数值计算方法进行了编程实现,并对模型和算法进行了算例测试,证实了本文所建立的非球形离散单元模型的可行性和正确性。测试结果表明,本文的模型能够比较准确地模拟复杂颗粒体系的真实运动,可为复杂颗粒体系的模拟研究提供一种新的数值计算方法。     

椭圆颗粒在剪切流中旋转特性的数值研究

研究颗粒在流体剪切作用下的运动特性是理解和预测颗粒悬浮流流动行为的关键.当流体的惯性不能忽略时,颗粒的运动往往变得非常复杂.本文采用格子Boltzmann方法对中等雷诺数下椭圆颗粒在剪切流中的旋转运动进行了模拟.首先,研究了雷诺数(0Re 170)的影响,结果表明当雷诺数低于临界值时,颗粒以周期性的方式旋转,角速度最小时对应的长轴方向随着雷诺数的增大而逐渐远离水平方向,而且这一倾角与雷诺数呈分段线性关系;当雷诺数大于临界值时,椭圆形颗粒最终保持静止状态,且静止时的转角与雷诺数呈幂函数关系,雷诺数越大,转角越小,椭圆的长轴越远离水平位置.其次,研究了椭圆颗粒的长短轴之比α(1α10)的影响,结果表明颗粒旋转的周期与α呈幂函数关系,α越大,颗粒旋转周期越小.此外,当α超过临界值时,颗粒也在水平位置附近保持静止状态,此时的转角与α也呈幂函数关系,α越大,转角越小.研究还发现,当雷诺数较大时椭圆颗粒在旋转过程中会产生过冲现象.     

Numerical simulation of polygonal particles moving in incompressible viscous fluids

A two-dimensional coupled lattice Boltzmann immersed boundary discrete element method is introduced for the simulation of polygonal particles moving in incompressible viscous fluids. A collision model of polygonal particles is used in the discrete element method. Instead of a collision model of circular particles, the collision model used in our method can deal with particles of more complex shape and efficiently simulate the effects of shape on particle–particle and particle–wall interactions. For two particles falling under gravity, because of the edges and corners, different collision patterns for circular and polygonal particles are found in our simulations. The complex vortexes generated near the corners of polygonal particles affect the flow field and lead to a difference in particle motions between circular and polygonal particles. For multiple particles falling under gravity, the polygonal particles easily become stuck owing to their corners and edges, while circular particles slip along contact areas. The present method provides an efficient approach for understanding the effects of particle shape on the dynamics of non-circular particles in fluids.