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Binary fluid flow simulations with free energy lattice Boltzmann methods

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Abstract

We use free energy lattice Boltzmann methods to simulate shear and extensional flows of a binary fluid in two and three dimensions. To this end, two classical configurations are digitally twinned, namely a parallel-band device for binary shear flow and a four-roller apparatus for binary extensional flow. The free energy lattice Boltzmann method and the test cases are implemented in the open-source parallel C++ framework OpenLB and evaluated for several non-dimensional numbers. Characteristic deformations are captured, where breakup mechanisms occur for critical capillary regimes. Though the known mass leakage for small droplet-domain ratios and large Cahn numbers is observed, suitable mesh sizes show good agreement to analytical predictions and reference results.

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... Their work demonstrated the accuracy and versatility of LBM in capturing complex flow patterns and interfacial dynamics. In the context of multi-component systems, Simonis et al. [11] employed LBM to investigate the behavior of binary fluid mixtures. Their study highlighted the accuracy of LBM in predicting interfacial dynamics, phase separation, and the overall behavior of multi-component systems. ...
... To incorporate fluid-solid interactions, an additional term is needed to be included in Eq. (11). This results in the complete Shan-Chen force [23]: ...
... This G c is similar to the term without subscript c i.e. G used in Eq. (11), maintaining consistency with the literature [29]. When G c surpasses the threshold value of 1/(ρ 1 + ρ 2 ), phase separation occurs. ...
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... output. Reference simulations are provided in [44]. ...
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... To realize this potential, we utilize the platform-agnostic LBM open source framework OpenLB [38,39]. Among others, OpenLB has been used for efficient simulations of turbulent fluid flows [29,40], advection-diffusion processes [41][42][43] up to ternary fluid mixture flows [39,44], coupled radiative transfer [45], volume-averaged fluid flow [46], fluid-structure interaction [47,48], and indoor thermal comfort [49]. Thus, to feasibly obtain the consistent benchmark UQ data, we implement MCS within the OpenLB framework as the deterministic kernel (see also [42,50]). ...
... P r e p r i n t n o t p e e r r e v i e w e d open source framework OpenLB [37,38]. Among others, OpenLB has been used for efficient simulations of turbulent fluid flows [28,39], advectiondiffusion processes [40][41][42] up to ternary fluid mixture flows [38,43], coupled radiative transfer [44], volume-averaged fluid flow [45], fluid-structure interaction [46,47], and indoor thermal comfort [48]. Thus, to feasibly obtain the consistent benchmark UQ data, we implement MCS within the OpenLB framework as the deterministic kernel. ...
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... To improve on the LGA, in a general LB model, the ensemble-averaged particle distribution functions and the linearized Bhatnagar-Gross-Krook (BGK) approximation is applied to overcome the statistical noise and exponential complexity from which the LGA suffers [1][2][3]. Among the various numerical methods, the LB model has emerged as an impressive candidate because of its efficiency and simplicity in simulating multiphase flows [4][5][6][7][8], compressible flows [9,10], turbulent flows [11,12], combustion [13,14], non-Newtonian flows [15,16] and more. ...
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... output. Reference simulations are provided in [40]. ...
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... The most prolific feature of LBM is the suitability for parallelization due to explicitly local calculation of populations. Meanwhile, LBM has been found to provide advanced capabilities for the parallel simulation of turbulent flows [14][15][16][17], advection-diffusion transport [18][19][20], binary fluid flows [21], and in particular, photobioreactors [22], Flettner rotors [23] or Coriolis mass flow meters [24]. As a paragon of effectiveness of the LBM, the comparison between the open-source software packages OpenLB [25][26][27] and OpenFOAM shows 32 times faster computation time of the former by the in-cylinder flow test [25,28]. ...
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Recently there has been a huge effort in the scientific community to miniaturise fluidic operations to micron and nanoscales [1]. This has changed the way scientists think about fluids, and it potentially has far-reaching technological implications, analogous to the miniaturization of electronics. The goal is to engineer “lab on a chip” devices, where numerous biological and chemical experiments can be performed rapidly, and in parallel, while consuming little reagent.
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We present the details of a lattice Boltzmann approach to phase separation in nonideal one- and two-component fluids. The collision rules are chosen such that the equilibrium state corresponds to an input free energy and the bulk flow is governed by the continuity, Navier-Stokes, and, for the binary fluid, a convection-diffusion equation. Numerical results are compared to simple analytic predictions to confirm that the equilibrium state is indeed thermodynamically consistent and that the kinetics of the approach to equilibrium lie within the expected universality classes. The approach is compared to other lattice Boltzmann simulations of nonideal systems. © 1996 The American Physical Society.
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We show that discrete lattice effects must be considered in the introduction of a force into the lattice Boltzmann equation. A representation of the forcing term is then proposed. With the representation, the Navier-Stokes equation is derived from the lattice Boltzmann equation through the Chapman-Enskog expansion. Several other existing force treatments are also examined.
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The late-stage demixing following spinodal decomposition of a three-dimensional symmetric binary fluid mixture is studied numerically, using a thermodynamicaly consistent lattice Boltzmann method. We combine results from simulations with different numerical parameters to obtain an unprecendented range of length and time scales when expressed in reduced physical units. Using eight large (256^3) runs, the resulting composite graph of reduced domain size l against reduced time t covers 1 < l < 10^5, 10 < t < 10^8. Our data is consistent with the dynamical scaling hypothesis, that l(t) is a universal scaling curve. We give the first detailed statistical analysis of fluid motion, rather than just domain evolution, in simulations of this kind, and introduce scaling plots for several quantities derived from the fluid velocity and velocity gradient fields.
Article
We derive a novel lattice Boltzmann scheme, which uses a pressure correction forcing term for approximating the volume averaged Navier–Stokes equations (VANSE) in up to three dimensions. With a new definition of the zeroth moment of the Lattice Boltzmann equation, spatially and temporally varying local volume fractions are taken into account. A Chapman–Enskog analysis, respecting the variations in local volume, formally proves the consistency towards the VANSE limit up to higher order terms. The numerical validation of the scheme via steady state and non-stationary examples approves the second order convergence with respect to velocity and pressure. The here proposed lattice Boltzmann method is the first to correctly recover the pressure with second order for space-time varying volume fractions.
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Am Karlsruher Institut für Technologie (KIT) findet seit 2010 jedes Sommersemester das projektorientierte Softwarepraktikum statt. Wir bieten es gemeinschaftlich vom Institut für Angewandte und Numerische Mathematik (IANM) und dem Institut für Mechanische Verfahrenstechnik und Mechanik (MVM) an. Seit dem Frühjahr 2020 werden praktische Lehrveranstaltungen durch die Einschränkungen zur Bekämpfung der Corona-Pandemie extrem beeinträchtigt. Unser Artikel beschreibt, wie wir es unter Pandemiebedingungen trotzdem geschafft haben, Studierende mehrerer Studiengänge zu begeistern, sodass wir schließlich sogar vom KIT Präsidium ausgerechnet für ein Praktikum ausgezeichnet wurden.
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Traditional Lattice–Boltzmann modelling of advection-diffusion flow is affected by numerical instability if the advective term becomes dominant over the diffusive (i.e., high-Péclet flow). To overcome the problem, two 3D one-way coupled models are proposed. In a traditional model, a Lattice–Boltzmann Navier–Stokes solver is coupled to a Lattice–Boltzmann advection-diffusion model. In a novel model, the Lattice–Boltzmann Navier–Stokes solver is coupled to an explicit finite-difference algorithm for advection-diffusion. The finite-difference algorithm also includes a novel approach to mitigate the numerical diffusivity connected with the upwind differentiation scheme. The models are validated using two non-trivial benchmarks, which includes discontinuous initial conditions and the case Peg→∞ for the first time, where Peg is the grid Péclet number. The evaluation of Peg alongside Pe is discussed. Accuracy, stability and the order of convergence are assessed for a wide range of Péclet numbers. Recommendations are then given as to which model to select depending on the value Peg—in particular, it is shown that the coupled finite-difference/Lattice–Boltzmann provide stable solutions in the case Pe→∞, Peg→∞.
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Detailed numerical analyses of temperature and air velocity distributions are relevant to assess thermal comfort in a wide range of applications. Until now mainly simulations based on Reynolds-averaged Navier–Stokes equations (RANS) are used, whereby fluctuations as well as anisotropy of the turbulence are represented with insufficient precision. This paper applies a thermal large eddy lattice Boltzmann method (LES-LBM) as an efficient and accurate transient modeling of turbulence. The benchmark case Manikin Heat Loss for Thermal Comfort Evaluation is studied and the model of Predicted Mean Vote (PMV) is applied for estimating thermal sensation. The results for the air velocity, the temperature field and the PMV show a satisfactory agreement with both, the experiment and the results from RANS simulations. The accuracy and the model quality of the simulation are increased further by considering the buoyancy and an inlet seeding. This suggests a successful evaluation of the present model, whereby additional transient flow field data are provided. The obtained transient flow field data, however, motivates future work to study thermal comfort in the present manner. The investigation of the influence of fluctuations on thermal comfort as well as the application to more complex problems seem promising.
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This review summarizes the rigorous mathematical theory behind the lattice Boltzmann equation (LBE). Relevant properties of the Boltzmann equation and a derivation of the LBE from the Boltzmann equation are presented. A summary of some important LBE models is provided. Focus is given to results from the numerical analysis of the LBE as a solver for the nearly incompressible Navier-Stokes equations with appropriate boundary conditions. A number of numerical results are provided to demonstrate the efficacy of the lattice Boltzmann method.
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The dynamics of a droplet suspended in a medium fluid is determined by the hydrodynamic forces and surface tension force, and the Taylor analogy had been successfully employed to predict droplet deformation and breakup in a spray. This paper aims to extend the Taylor analogy for prediction of droplet dynamics in planar extensional flow which has great significance in droplet-based microfluidic systems. Performance of the proposed model is compared with the three-dimensional numerical simulation results over a wide range of capillary number and viscosity ratio. Experimental data available in the literature is also compared with the prediction results for verification purpose. The proposed model could describe both the time scale and the magnitude of droplet deformation accurately.
Book
Theory and Application of Multiphase Lattice Boltzmann Methods presents a comprehensive review of all popular multiphase Lattice Boltzmann Methods developed thus far and is aimed at researchers and practitioners within relevant Earth Science disciplines as well as Petroleum, Chemical, Mechanical and Geological Engineering. Clearly structured throughout, this book will be an invaluable reference on the current state of all popular multiphase Lattice Boltzmann Methods (LBMs). The advantages and disadvantages of each model are presented in an accessible manner to enable the reader to choose the model most suitable for the problems they are interested in. The book is targeted at graduate students and researchers who plan to investigate multiphase flows using LBMs. Throughout the text most of the popular multiphase LBMs are analyzed both theoretically and through numerical simulation. The authors present many of the mathematical derivations of the models in greater detail than is currently found in the existing literature. The approach to understanding and classifying the various models is principally based on simulation compared against analytical and observational results and discovery of undesirable terms in the derived macroscopic equations and sometimes their correction. A repository of FORTRAN codes for multiphase LBM models is also provided.
Book
This book is an introduction to the theory, practice, and implementation of the Lattice Boltzmann (LB) method, a powerful computational fluid dynamics method that is steadily gaining attention due to its simplicity, scalability, extensibility, and simple handling of complex geometries. The book contains chapters on the method's background, fundamental theory, advanced extensions, and implementation. To aid beginners, the most essential paragraphs in each chapter are highlighted, and the introductory chapters on various LB topics are front-loaded with special "in a nutshell" sections that condense the chapter's most important practical results. Together, these sections can be used to quickly get up and running with the method. Exercises are integrated throughout the text, and frequently asked questions about the method are dealt with in a special section at the beginning. In the book itself and through its web page, readers can find example codes showing how the LB method can be implemented efficiently on a variety of hardware platforms, including multi-core processors, clusters, and graphics processing units. Students and scientists learning and using the LB method will appreciate the wealth of clearly presented and structured information in this volume.
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New experimental results describing the breakup of drops suddenly subjected to shearing forces sufficient to cause drop breakup are presented. The experiments examine fluids which are immiscible and Newtonian under the conditions studied. These results and other breakup mechanism results are then discussed in the context of combining them with kinematic information on more complex flows in order to predict drop size distributions in processing flows. By analyzing the time scales of various breakage mechanisms studied in simple shear flow and comparing them to the appropriate time scales in more complex flows, the relevant importance of a given mechanism in determining the daughter drop size distribution is predicted. This type of time scale analysis is performed for flow in a cavity and flow in an extruder.
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The behavior of a single liquid drop suspended in another liquid and subjected to simple shear flow is studied numerically using a diffuse interface free energy lattice Boltzmann method. The system is fully defined by three physical, and two numerical dimensionless numbers: a Reynolds number ReRe, a capillary number CaCa, the viscosity ratio λλ, an interface-related Peclet number Pe, and the ratio of interface thickness and drop size (the Cahn number Ch). The influence of Pe,ChPe,Ch and mesh resolution on accuracy and stability of the simulations is investigated. Drops of moderate resolution (radius less than 30 lattice units) require smaller interface thickness, while a thicker interface should be used for highly resolved drops. The Peclet number is controlled by the mobility coefficient ΓΓ. Based on the results, the simulations are stable when ΓΓ is in the range 1–15. In addition, the numerical tool is verified and validated in a wide range of physical conditions: Re=0.0625-50,λ=1,2,3Re=0.0625-50,λ=1,2,3 and a capillary number range over which drops deform and break. Good agreement with literature data is observed.
Article
A spherical drop, placed in a second liquid of the same density, is subjected to shearing between parallel plates. The subsequent flow is investigated numerically with a volume-of-fluid (VOF) method. The scheme incorporates a semi-implicit Stokes solver to enable computations at low Reynolds number. Our simulations compare well with previous theoretical, numerical, and experimental results. For capillary numbers greater than the critical value, the drop deforms to a dumbbell shape and daughter drops detach via an end-pinching mechanism. The number of daughter drops increases with the capillary number. The breakup can also be initiated by increasing the Reynolds number.
Article
Numerical computations are employed to study the flow field produced by a four‐roll mill. The radius of the cylinders a, the cylinder spacing 2b, and the size 2l of the square container are varied to assess the effects on the kinematics of the flow field. It is found that a ratio of a/b=0.625 with l/b≥3.0 produces the best approximation to a pure extensional flow. With these parameter values, the extension rate remains constant with an error of less than 1% over an axial region x/b≤0.5. By contrast, the commonly accepted design a/b=0.772 suggested by Fuller and Leal [J. Polym. Sci. Polym. Phys. 19, 557 (1981)] produces a variation in extension rate of 50% over the same region. Streamline patterns and velocity gradient error contours are presented for these two designs.
Article
We investigate drop breakup in dilute Newtonian emulsions in simple shear flow using high-speed video microscopy over a wide range of viscosity ratio (0.0017<λ<3.5), focusing on high capillary number (Ca up to 12 Cac, Cac is the critical capillary number). The final drop size distribution of emulsions is found to be intimately linked to the drop breakup mechanism, which depends on Ca and λ. Drop breakup is caused by end pinching at Ca<2 Cac. For Ca<2 Cac, breakup dynamics are strongly controlled by λ. For 0.1<λ<1, capillary instability is the dominant drop breakup mechanism, and thread radius and wavelength at breakup are independent of the initial drop sizes. Fairly monodisperse emulsions are obtained, and the average drop size is inversely proportional to the shear rate. For 1.0<λ<3. 5, long wavelength capillary instability generates large satellite drops, resulting in emulsions with bimodal distribution. For λ<0.1, a new drop re-breaking mechanism is observed, producing polydisperse emulsions. The polydispersity increases with decreasing λ. The capillary number based on the thread radius at breakup CaT is about 2.5 Cac and shows a minimum at λ=1.0. The measured CaT agrees with slender body theory for λ<0.1. Drops deform pseudo affinely for 0.1<λ<1.0, but deformation deviates from being pseudo affine otherwise.
Article
This communication presents experimental data for steady and transient deformations of a purely elastic drop (PIB/PB Boger fluid) suspended in a Newtonian fluid (PDMS) undergoing a planar extensional flow produced by a four-roll mill. The viscoelastic effects alter the steady drop shape from being ellipsoidal to drop shapes with more blunt ends. The results reflect a balance between the direct tensile stress contribution of the viscoelastic fluid to the normal stress balance, and modifications of the viscous (i.e. Newtonian) stress and pressure due to viscoelastic changes in the flow. This is qualitatively consistent with the conclusion from recent simulation results [S. Ramaswamy, L.G. Leal, The deformation of a viscoelastic drop subjected to steady uniaxial extensional flow of a Newtonian fluid, Journal of Non-Newtonian Fluid Mechanics 85 (2–3) (1999) 127–163]. There is no overshoot of the drop deformation upon start-up of the flow, and a relative insensitivity to the Deborah number. However, when the external flow is turned off, there is a broad spectrum of relaxation times for the drop to return to a spherical shape, between the characteristic capillary timescale for a Newtonian fluid, aμ/σ, to the longer polymer relaxation time, τR.
Article
In this note we examine the implications of Cahn-Hilliard diffusion on mass conservation when using a phase-field model for simulating two-phase flows. Even though the phase-field variable φ is conserved globally, a drop shrinks spontaneously while φ shifts from its expected values in the bulk phases. Those changes are found to be proportional to the interfacial thickness, and we suggest guidelines for minimizing the loss of mass. Moreover, there exists a critical radius below which drops will eventually disappear. With a properly chosen mobility parameter, however, this process will be much slower than the physics of interest and thus has little ill effect on the simulation.
Article
The hydrodynamic interaction between a droplet immersed in Couette flow and the containing walls is studied. The analysis is based on the assumptions that the disturbance flow induced by the droplet is without inertia, that the droplet maintains its nearly spherical shape and that the radius of the droplet is small compared with the distance between the walls. Based on Lorentz's reflection method, a first-order simple analytical solution is derived for the case of a droplet in close vicinity to one wall. An integral solution is given for the general configuration of a droplet interacting with two walls. First-order corrections for wall effects are obtained for the drag force and the droplet's deviation from sphericity.
Article
This paper is an experimental investigation of the deformation and relaxation of a Newtonian drop suspended in a PIB/PB Boger fluid. The suspending fluid is undergoing a planar extensional flow produced in a four-roll mill. We show that increasing elasticity of the suspending fluid has a pronounced effect on both the deformation and relaxation of a drop. For steady flows, as the strength of viscoelastic effects in the suspending fluid is increased, the drops become more deformed, with ends that are generally more pointed. This leads to a decrease in the maximum (“critical”) capillary number for the existence of a steady, deformed drop shape. In transient startup and step flows, the elasticity of the suspending fluid produces a large deformation shape that is more pointed at its ends and more tubular in its midsection than is observed for a drop in a Newtonian fluid (bulbous ends with necking at the waist). This enables a drop in the PIB/PB suspending fluid to be extended to a longer length without breaking upon flow cessation. However, at smaller deformations, the elasticity of the suspending fluid retards the relaxation of the drop. The observed viscoelastic effects on the steady and transient deformation, as well as the relaxation of drops in the PIB/PB suspending fluid, cannot be explained by viscoelastic modifications of the global, undisturbed flow field. Instead, our results suggest the existence of a non-linear coupling between the drop shape, the local disturbance flow, and the polymer configuration in the vicinity of the drop. This coupling enhances elastic effects, such that a drop can display significant non-Newtonian behavior prior to any changes in the global, undisturbed flow field.
Article
We present a new phase field model for three-component immiscible liquid flows with surface tension. In the phase field approach, the classical sharp-interface between the two immiscible fluids is replaced by a transition region across which the properties of fluids change continuously. The proposed method incorporates a chemical potential which can eliminate the unphysical phase field profile and a continuous surface tension force formulation from which we can calculate the pressure field directly from the governing equations. The capabilities of the method are demonstrated with several examples. We compute the ternary phase separation via spinodal decomposition, equilibrium phase field profiles, pressure field distribution, and a three-interface contact angle resulting from a spreading liquid lens on an interface. The numerical results show excellent agreement with analytical solutions.
Article
We propose a simple and effective iterative procedure to generate consistent initial conditions for the lattice Boltzmann equation (LBE) for incompressible flows with a given initial velocity field u0. Using the Chapman-Enskog analysis we show that not only the proposed procedure effectively solves the Poisson equation for the pressure field p0 corresponding to u0, it also generates at the same time the initial values for the nonequilibrium distribution functions {fα} in a consistent manner. This procedure is validated for the decaying Taylor–Green vortex flow in two dimensions and is shown to be particularly effective when using the generalized LBE with multiple relaxation times.
Article
A kinetic theory approach to collision processes in ionized and neutral gases is presented. This approach is adequate for the unified treatment of the dynamic properties of gases over a continuous range of pressures from the Knudsen limit to the high-pressure limit where the aerodynamic equations are valid. It is also possible to satisfy the correct microscopic boundary conditions. The method consists in altering the collision terms in the Boltzmann equation. The modified collision terms are constructed so that each collision conserves particle number, momentum, and energy; other characteristics such as persistence of velocities and angular dependence may be included. The present article illustrates the technique for a simple model involving the assumption of a collision time independent of velocity; this model is applied to the study of small amplitude oscillations of one-component ionized and neutral gases. The initial value problem for unbounded space is solved by performing a Fourier transformation on the space variables and a Laplace transformation on the time variable. For uncharged gases there results the correct adiabatic limiting law for sound-wave propagation at high pressures and, in addition, one obtains a theory of absorption and dispersion of sound for arbitrary pressures. For ionized gases the difference in the nature of the organization in the low-pressure plasma oscillations and in high-pressure sound-type oscillations is studied. Two important cases are distinguished. If the wavelengths of the oscillations are long compared to either the Debye length or the mean free path, a small change in frequency is obtained as the collision frequency varies from zero to infinity. The accompanying absorption is small; it reaches its maximum value when the collision frequency equals the plasma frequency. The second case refers to waves shorter than both the Debye length and the mean free path; these waves are characterized by a very heavy absorption.
  • S Simonis
  • M J Krause
S. Simonis and M. J. Krause, Limit consistency for lattice Boltzmann equations, preprint, arXiv:2208.06867, 2022.