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Title: Lattice Boltzmann Simulation of Particle Laden Flows in Microfluidic Systems

Abstract

The goal of this effort was to develop dynamic simulation tools to study and characterize particulate transport in Microfluidic devices. This includes the effects of external fields and near-field particle-particle, particle-surface interactions. The unique aspect of this effort is that we focused on the particles in suspension and rigorously accounted for all of the interactions that they experienced in solution. In contrast, other numerical methods within the program, finite element and finite volume approaches, typically treat the suspended species as non-interacting point particles. Later in the program, some of these approaches incorporated approximations to begin to account for particle-particle interactions. Through the programs (BioFlips and SIMBIOSYS), we developed collaborative relationships with device-oriented efforts. More specifically and at the request of the SIMBIOSYS program manager, we allowed our efforts/milestones to be more guided by the needs of our BioFlips colleagues; therefore, our efforts were focused on the needs of the MD Anderson Cancer Center (Peter Gascoyne), UCDavis (Rosemary Smith), and UC Berkeley (Dorian Liepmann). The first two collaborations involved the development of Dielectrophoresis analysis tools and the later involved the development of suspension and fluid modeling tools for microneedles.

Authors:
; ; ; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Lawrence Livermore National Lab., CA (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
15004866
Report Number(s):
UCRL-ID-137061
TRN: US200424%%116
DOE Contract Number:
W-7405-ENG-48
Resource Type:
Technical Report
Resource Relation:
Other Information: PBD: 22 Jul 2003
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; NEOPLASMS; PARTICULATES; SIMULATION; TRANSPORT

Citation Formats

Clague, D S, Weisgraber, T, Wheeler, E, Hon, G, Radford, J, Gascoyne, P, Smity, R, Liepmann, D, Meinhart, C, Santiago, J, and Krulevitch, P. Lattice Boltzmann Simulation of Particle Laden Flows in Microfluidic Systems. United States: N. p., 2003. Web. doi:10.2172/15004866.
Clague, D S, Weisgraber, T, Wheeler, E, Hon, G, Radford, J, Gascoyne, P, Smity, R, Liepmann, D, Meinhart, C, Santiago, J, & Krulevitch, P. Lattice Boltzmann Simulation of Particle Laden Flows in Microfluidic Systems. United States. doi:10.2172/15004866.
Clague, D S, Weisgraber, T, Wheeler, E, Hon, G, Radford, J, Gascoyne, P, Smity, R, Liepmann, D, Meinhart, C, Santiago, J, and Krulevitch, P. Tue . "Lattice Boltzmann Simulation of Particle Laden Flows in Microfluidic Systems". United States. doi:10.2172/15004866. https://www.osti.gov/servlets/purl/15004866.
@article{osti_15004866,
title = {Lattice Boltzmann Simulation of Particle Laden Flows in Microfluidic Systems},
author = {Clague, D S and Weisgraber, T and Wheeler, E and Hon, G and Radford, J and Gascoyne, P and Smity, R and Liepmann, D and Meinhart, C and Santiago, J and Krulevitch, P},
abstractNote = {The goal of this effort was to develop dynamic simulation tools to study and characterize particulate transport in Microfluidic devices. This includes the effects of external fields and near-field particle-particle, particle-surface interactions. The unique aspect of this effort is that we focused on the particles in suspension and rigorously accounted for all of the interactions that they experienced in solution. In contrast, other numerical methods within the program, finite element and finite volume approaches, typically treat the suspended species as non-interacting point particles. Later in the program, some of these approaches incorporated approximations to begin to account for particle-particle interactions. Through the programs (BioFlips and SIMBIOSYS), we developed collaborative relationships with device-oriented efforts. More specifically and at the request of the SIMBIOSYS program manager, we allowed our efforts/milestones to be more guided by the needs of our BioFlips colleagues; therefore, our efforts were focused on the needs of the MD Anderson Cancer Center (Peter Gascoyne), UCDavis (Rosemary Smith), and UC Berkeley (Dorian Liepmann). The first two collaborations involved the development of Dielectrophoresis analysis tools and the later involved the development of suspension and fluid modeling tools for microneedles.},
doi = {10.2172/15004866},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 22 00:00:00 EDT 2003},
month = {Tue Jul 22 00:00:00 EDT 2003}
}

Technical Report:

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  • A new and efficient direct numerical method with second-order convergence accuracy was developed for fully resolved simulations of incompressible viscous flows laden with rigid particles. The method combines the state-of-the-art immersed boundary method (IBM), the multi-direct forcing method, and the lattice Boltzmann method (LBM). First, the multi-direct forcing method is adopted in the improved IBM to better approximate the no-slip/no-penetration (ns/np) condition on the surface of particles. Second, a slight retraction of the Lagrangian grid from the surface towards the interior of particles with a fraction of the Eulerian grid spacing helps increase the convergence accuracy of the method. Anmore » over-relaxation technique in the procedure of multi-direct forcing method and the classical fourth order Runge-Kutta scheme in the coupled fluid-particle interaction were applied. The use of the classical fourth order Runge-Kutta scheme helps the overall IB-LBM achieve the second order accuracy and provides more accurate predictions of the translational and rotational motion of particles. The preexistent code with the first-order convergence rate is updated so that the updated new code can resolve the translational and rotational motion of particles with the second-order convergence rate. The updated code has been validated with several benchmark applications. The efficiency of IBM and thus the efficiency of IB-LBM were improved by reducing the number of the Lagragian markers on particles by using a new formula for the number of Lagrangian markers on particle surfaces. The immersed boundary-lattice Boltzmann method (IBLBM) has been shown to predict correctly the angular velocity of a particle. Prior to examining drag force exerted on a cluster of particles, the updated IB-LBM code along with the new formula for the number of Lagrangian markers has been further validated by solving several theoretical problems. Moreover, the unsteadiness of the drag force is examined when a fluid is accelerated from rest by a constant average pressure gradient toward a steady Stokes flow. The simulation results agree well with the theories for the short- and long-time behavior of the drag force. Flows through non-rotational and rotational spheres in simple cubic arrays and random arrays are simulated over the entire range of packing fractions, and both low and moderate particle Reynolds numbers to compare the simulated results with the literature results and develop a new drag force formula, a new lift force formula, and a new torque formula. Random arrays of solid particles in fluids are generated with Monte Carlo procedure and Zinchenko's method to avoid crystallization of solid particles over high solid volume fractions. A new drag force formula was developed with extensive simulated results to be closely applicable to real processes over the entire range of packing fractions and both low and moderate particle Reynolds numbers. The simulation results indicate that the drag force is barely affected by rotational Reynolds numbers. Drag force is basically unchanged as the angle of the rotating axis varies.« less
  • Five benchmark problems are developed and simulated with the computational fluid dynamics and discrete element model code MFiX. The benchmark problems span dilute and dense regimes, consider statistically homogeneous and inhomogeneous (both clusters and bubbles) particle concentrations and a range of particle and fluid dynamic computational loads. Several variations of the benchmark problems are also discussed to extend the computational phase space to cover granular (particles only), bidisperse and heat transfer cases. A weak scaling analysis is performed for each benchmark problem and, in most cases, the scalability of the code appears reasonable up to approx. 103 cores. Profiling ofmore » the benchmark problems indicate that the most substantial computational time is being spent on particle-particle force calculations, drag force calculations and interpolating between discrete particle and continuum fields. Hardware performance analysis was also carried out showing significant Level 2 cache miss ratios and a rather low degree of vectorization. These results are intended to serve as a baseline for future developments to the code as well as a preliminary indicator of where to best focus performance optimizations.« less
  • A new immersed boundary-lattice Boltzmann method (IB-LBM) is presented for fully resolved simulations of incompressible viscous flows laden with rigid particles. The immersed boundary method (IBM) recently developed by Breugem (2012) [19] is adopted in the present method, development including the retraction technique, the multi-direct forcing method and the direct account of the inertia of the fluid contained within the particles. The present IB-LBM is, however, formulated with further improvement with the implementation of the high-order Runge–Kutta schemes in the coupled fluid–particle interaction. The major challenge to implement high-order Runge–Kutta schemes in the LBM is that the flow information suchmore » as density and velocity cannot be directly obtained at a fractional time step from the LBM since the LBM only provides the flow information at an integer time step. This challenge can be, however, overcome as given in the present IB-LBM by extrapolating the flow field around particles from the known flow field at the previous integer time step. The newly calculated fluid–particle interactions from the previous fractional time steps of the current integer time step are also accounted for in the extrapolation. The IB-LBM with high-order Runge–Kutta schemes developed in this study is validated by several benchmark applications. It is demonstrated, for the first time, that the IB-LBM has the capacity to resolve the translational and rotational motion of particles with the second-order accuracy. The optimal retraction distances for spheres and tubes that help the method achieve the second-order accuracy are found to be around 0.30 and −0.47 times of the lattice spacing, respectively. Simulations of the Stokes flow through a simple cubic lattice of rotational spheres indicate that the lift force produced by the Magnus effect can be very significant in view of the magnitude of the drag force when the practical rotating speed of the spheres is encountered. This finding may lead to more comprehensive studies of the effect of the particle rotation on fluid–solid drag laws. It is also demonstrated that, when the third-order or the fourth-order Runge–Kutta scheme is used, the numerical stability of the present IB-LBM is better than that of all methods in the literature, including the previous IB-LBMs and also the methods with the combination of the IBM and the traditional incompressible Navier–Stokes solver. - Highlights: • The IBM is embedded in the LBM using Runge–Kutta time schemes. • The effectiveness of the present IB-LBM is validated by benchmark applications. • For the first time, the IB-LBM achieves the second-order accuracy. • The numerical stability of the present IB-LBM is better than previous methods.« less
  • The development of coal conversion technology and technology for use of heavy hydrocarbon fuels is limited by the inability to measure properties of the reacting particle-laden flows encountered in these systems. Optical techniques are promising for nonperturbing measurements of temperature, velocity and some species compositions. Physical probe sampling must be used for measurements of many stable species and most properties of the particulate phase. This review presents problems associated with probe sampling in high temperature flows with particular emphasis on characterization of the particulate properties of the flow. Sampling errors and probe design alternatives are considered.
  • The successful prediction of particle-laden, turbulent flows relies heavily on the representation of turbulence in the gas phase. Several types of turbulence models for single-phase gas flow have been developed which compare reasonably well with experimental data. In the present work, a low-Reynolds'' k-[epsilon], closure model is chosen to describe the Reynolds stresses associated with gas-phase turbulence. This closure scheme, which involves transport equations for the turbulent kinetic energy and its dissipation rate, is valid in the turbulent core as well as the viscous sublayer. Several versions of the low-Reynolds k-[epsilon] closure are documented in the literature. However, even thosemore » models which are similar in theory often differ considerably in their quantitative and qualitative predictions, making the selection of such a model a difficult task. The purpose of this progress report is to document our findings on the performance of ten different versions of the low-Reynolds k-[epsilon] model on predicting fully developed pipe flow. The predictions are compared with the experimental data of Schildknecht, et al. (1979). With the exception of the model put forth by Hoffman (1975), the predictions of all the closures show reasonable agreement for the mean velocity profile. However, important quantitative differences exist for the turbulent kinetic energy profile. In addition, the predicted eddy viscosity profile and the wall-region profile of the turbulent kinetic energy dissipation rate exhibit both quantitative and qualitative differences. An effort to extend the present comparisons to include experimental measurements of other researchers is recommended in order to further evaluate the performance of the models.« less