A multiple-relaxation-time discrete Boltzmann model (DBM) is proposed for multicomponent mixtures, where compressible, hydrodynamic, and thermodynamic nonequilibrium effects are taken into account. It allows the specific heat ratio and the Prandtl number to be adjustable, and is suitable for both low and high speed fluid flows. From the physical side, besides being consistent with the multicomponent Navier-Stokes equations, Fick's law and Stefan-Maxwell diffusion equation in the hydrodynamic limit, the DBM provides more kinetic information about the nonequilibrium effects. The physical capability of DBM to describe the nonequilibrium flows, beyond the Navier-Stokes representation, enables the study of the entropy production mechanism in complex flows, especially in multicomponent mixtures. Moreover, the current kinetic model is employed to investigate nonequilibrium behaviors of the compressible Kelvin-Helmholtz instability (KHI). It is found that, in the dynamic KHI process, the mixing degree and fluid flow are similar for cases with various thermal conductivity and initial temperature configurations. Physically, both heat conduction and temperature exert slight influences on the formation and evolution of the KHI.
We present a diffusion dominated evaporation model using the popular pseudopotential multicomponent lattice Boltzmann method introduced by Shan and Chen. With an analytical computation of the diffusion coefficients, we demonstrate that Fick's law is obeyed. We then validate the applicability of our model by demonstrating the agreement of the time evolution of the interface position of an evaporating planar film to the analytical prediction. Furthermore, we study the evaporation of a freely floating droplet and confirm that the effect of Laplace pressure is significant for predicting the time e…
We present a regularized version of the color gradient lattice Boltzmann (LB) scheme for the simulation of droplet formation in microfluidic devices of experimental relevance. The regularized version is shown to provide computationally efficient access to Capillary number regimes relevant to droplet generation via microfluidic devices, such as flow-focusers and the more recent microfluidic step emulsifier devices.
Lattice Boltzmann Models (LBM) and Phase Field Models (PFM) are two of the most widespread approaches for the numerical study of multicomponent fluid systems. Both methods have been successfully employed by several authors but, despite their popularity, still remains unclear how to properly compare them and how they perform on the same problem. Here we present a unified framework for the direct (one-to-one) comparison of the multicomponent LBM against the PFM. We provide analytical guidelines on how to compare the Shan-Chen (SC) lattice Boltzmann model for non-ideal multicomponent fluids with …
We introduce a mesoscale approach for the simulation of multicomponent flows to model the direct-writing printing process, along with the early stage of ink deposition. As an application scenario, alginate solutions at different concentrations are numerically investigated alongside processing parameters, such as apparent viscosity, extrusion rate, and print head velocity. The present approach offers useful insights on the ink rheological effects upon printed products, susceptible to geometric accuracy and shear stress, by manufacturing processes such as the direct-writing printing for complex …
A new lattice Boltzmann model for multicomponent ideal gas mixtures is presented. The model development consists of two parts. First, a new kinetic model for Stefan- Maxwell diffusion amongst the species is proposed and realized as a lattice Boltzmann equation on the standard discrete velocity set. Second, a compressible lattice Boltzmann model for the momentum and energy of the mixture is established. Both parts are consistently coupled through mixture composition, momentum, pressure, energy and enthalpy whereby a passive scalar advection-diffusion coupling is obviated, unlike in previous app…
The implementation of boundary conditions is among the most challenging parts of modeling fluid flow through channels and complex media. Here, we show that the existing methods to deal with liquid-wall interactions using multicomponent Lattice Boltzmann are accurate when the wall is aligned with the main axes of the lattice but fail otherwise. To solve this problem, we extend a strategy previously developed for multiphase models. As an example, we study the coalescence of two droplets on a curved surface in two dimensions. The strategy proposed here is of special relevance for binary flows in …
Droplets on hydrophobic surfaces are ubiquitous in microfluidic applications and there exists a number of commonly used multicomponent and multiphase lattice Boltzmann schemes to study such systems. In this paper we focus on a popular implementation of a multicomponent model as introduced by Shan and Chen. Here, interactions between different components are implemented as repulsive forces whose strength is determined by model parameters. In this paper we present simulations of a droplet on a hydrophobic surface. We investigate the dependence of the contact angle on the simulation parameters an…
The free energy model can extend the Lattice Boltzmann method to multiphase systems. However, there is a lack of models capable of simulating multicomponent multiphase fluids with partial miscibility. In addition, existing models cannot be generalized to honor thermodynamic information provided by any multicomponent equation of state of choice. In this paper, we introduce a free energy Lattice Boltzmann model where the forcing term is determined by the fugacity of the species, the thermodynamic property that connects species partial pressure to chemical potential calculations. By doing so, we …
In the article correct method for the kinetic Boltzmann equation asymptotic solution is formulated, the Hilbert's and Enskog's methods are discussed. The equations system of multicomponent non-equilibrium gas dynamics is derived, that corresponds to the first order in the approximate (asymptotic) method for solution of the system of kinetic Boltzmann equations. It is shown, that the velocity distribution functions of particles, obtained by the proposed method and by Enskog's method, within Enskog's approach, are equivalent up to the infinitesimal first order terms of the asymptotic expansion, …
We study the diffusivity of a small particle immersed in a square box filled with a non-ideal multicomponent fluid in the presence of thermal fluctuations. Our approach is based on the numerical integration of fluctuating lattice Boltzmann models (LBM) for multicomponent mixtures. At changing the wettability on the particle's surface, we measure the mean square displacement (MSD) and compare with the prediction of the Stokes-Einstein theory. Two main set-ups are tested, involving periodic boundary conditions and wall boundary conditions realized on the computational box. We find that full peri…
We propose numerical simulations of viscoelastic fluids based on a hybrid algorithm combining Lattice-Boltzmann models (LBM) and Finite Differences (FD) schemes, the former used to model the macroscopic hydrodynamic equations, and the latter used to model the polymer dynamics. The kinetics of the polymers is introduced using constitutive equations for viscoelastic fluids with finitely extensible non-linear elastic dumbbells with Peterlin's closure (FENE-P). The numerical model is first benchmarked by characterizing the rheological behaviour of dilute homogeneous solutions in various configurat…
Immiscible fluid displacement in porous media occurs in several natural and industrial processes. For example, during petroleum extraction from porous rock reservoirs, water is used to displace oil. In this paper, we investigate primary drainage and imbibition in a heterogeneous porous medium using an improved numerical model based on the multicomponent pseudopotential lattice Boltzmann method. We apply recent developments from the literature and develop new pressure boundary conditions. We show that the proposed model is able to simulate realistic viscosity ratios, and it allows independent t…
We present mesoscale numerical simulations based on the coupling of the fluctuating lattice Boltzmann method (FLBM) for multicomponent systems with a wetted finite-size particle model. This newly coupled methodologies are used to study the motion of a spherical particle driven by a constant body force in a confined channel with a fixed square cross-section. The channel is filled with a mixture of two liquids under the effect of thermal fluctuations. After some validations steps in absence of fluctuations, we study the fluctuations in the particle's velocity at changing thermal energy, applied …
We develop and implement a novel lattice Boltzmann scheme to study multicomponent flows on curved surfaces, coupling the continuity and Navier-Stokes equations with the Cahn-Hilliard equation to track the evolution of the binary fluid interfaces. Standard lattice Boltzmann method relies on regular Cartesian grids, which makes it generally unsuitable to study flow problems on curved surfaces. To alleviate this limitation, we use a vielbein formalism to write down the Boltzmann equation on an arbitrary geometry, and solve the evolution of the fluid distribution functions using a finite differenc…
We propose a multi-component discrete Boltzmann model (DBM) for premixed, nonpremixed, or partially premixed nonequilibrium reactive flows. This model is suitable for both subsonic and supersonic flows with or without chemical reaction and/or external force. A two-dimensional sixteen-velocity model is constructed for the DBM. In the hydrodynamic limit, the DBM recovers the modified Navier-Stokes equations for reacting species in a force field. Compared to standard lattice Boltzmann models, the DBM presents not only more accurate hydrodynamic quantities, but also detailed nonequilibrium effects…
The performances of the Color-Gradient (CG) and of the Shan-Chen (SC) multicomponent Lattice Boltzmann models are quantitatively compared side-by-side on multiple physical flow problems where breakup, coalescence and contraction of fluid ligaments are important. The flow problems are relevant to microfluidic applications, jetting of microdroplets as seen in inkjet printing, as well as emulsion dynamics. A significantly wider range of parameters is shown to be accessible for CG in terms of density-ratio, viscosity-ratio and surface tension values. Numerical stability for a high density ratio $\…
We derive multicomponent relativistic second-order dissipative fluid dynamics from the Boltzmann equations for a reactive mixture of $N_{\text{spec}}$ particle species with $N_q$ intrinsic quantum numbers (e.g. electric charge, baryon number, and strangeness) using the method of moments. We obtain the continuity equations for multiple conserved charges as well as the conservation equations for the total energy and momentum in the single-fluid approximation. These $4+N_q$ conservation laws are closed by deriving the second-order equations of motion for the dissipative quantities in the $(10+4N_…
The Lattice Boltzmann method has been gaining acceptance for hydrodynamic problems involving complex boundaries, non-equilibrium dynamics and interfacial phenomena in multiphase or multicomponent systems. lb2d.pm is a Perl module offering a clear framework for simple Lattice Boltzmann simulations in 2D. The syntax and some basic applications are presented. Mainly, the new version 0.1 enables solute transport and accounts for reactive boundaries leading to surface growth.
We report a study of the homogeneous isotropic Boltzmann equation for an open system. We seek for nonequilibrium steady solutions in presence of forcing and dissipation. Using the language of weak turbulence theory, we analyze the possibility to observe Kolmogorov-Zakharov steady distributions. We derive a differential approximation model and we find that the expected nonequilibrium steady solutions have always the form of warm cascades. We propose an analytical prediction for relation between the forcing and dissipation and the thermodynamic quantities of the system. Specifically, we find tha…
A discrete Boltzmann model with state-dependent power-law relaxation time for nonequilibrium transport in compressible flows
Fujian Normal University（福建师范大学）；North China Institute of Aerospace Engineering（北华航天工业学院）；Laoshan Laboratory（崂山实验室）；Institute of Atmospheric Physics, Chinese Academy of Sciences（中国科学院大气物理研究所）；University of Chinese Academy of Sciences（中国科学院大学）
Thermodynamic nonequilibrium effects in three-dimensional high-speed compressible flows: Multiscale modeling and simulation via the discrete Boltzmann method
A new lattice Boltzmann model (LBM) for chemically reactive mixtures is presented. The approach capitalizes on the recently introduced thermodynamically consistent LBM for multicomponent mixtures of ideal gases. Similar to the non-reactive case, the present LBM features Stefan--Maxwell diffusion of chemical species and a fully on-lattice mean-field realization of the momentum and energy of the flow. Besides introducing the reaction mechanism into the kinetic equations for the species, the proposed LBM also features a new realization of the compressible flow by using a concept of extended equil…
Over the last two decades, lattice Boltzmann methods have become an increasingly popular tool to compute the flow in complex geometries such as porous media. In addition to single phase simulations allowing, for example, a precise quantification of the permeability of a porous sample, a number of extensions to the lattice Boltzmann method are available which allow to study multiphase and multicomponent flows on a pore scale level. In this article we give an extensive overview on a number of these diffuse interface models and discuss their advantages and disadvantages. Furthermore, we shortly r…
To kinetically model implosion and explosion related phenomena, we present a theoretical framework for constructing Discrete Boltzmann Model(DBM) with spherical symmetry in spherical coordinates. To this aim, a key technique is to use \emph{local} Cartesian coordinates to describe the particle velocity in the kinetic model. Thus, the geometric effects, like the divergence and convergence, are described as a \textquotedblleft force term\textquotedblright. To better access the nonequilibrium behavior, even though the corresponding hydrodynamic model is one-dimensional, the DBM uses a Discrete Ve…
In this paper, a wetting boundary scheme used to describe the interactions among ternary fluids and solid is proposed in the framework of the lattice Boltzmann method. This scheme for three-phase fluids can preserve the reduction consistency property with the diphasic situation such that it could give physically relevant results. Combining this wetting boundary scheme and the lattice Boltzmann (LB) ternary fluid model based on the multicomponent phase-field theory, we simulated several ternary fluid flow problems involving solid substrate, including the spreading of binary drops on the substra…
In this paper, we present a splitting algorithm to solve multicomponent transport models. These models are related to plasma simulations, in which we consider the local thermodynamic equilibrium and weakly ionised plasma-mixture models that are used for medical and technical applications in etching processes. These multi-component transport-mixture models can be derived by approximately solving a linearised multi-component Boltzmann equation with an approximation of the collision terms in the mass, momentum and energy equations. The model-equations are nonlinear partial differential equations …
The effects of elasticity on the break-up of liquid threads in microfluidic cross-junctions is investigated using numerical simulations based on the "lattice Boltzmann models" (LBM). Working at small Capillary numbers, we investigate the effects of non-Newtonian phases in the transition from droplet formation at the cross-junction (DCJ) and droplet formation downstream of the cross-junction (DC) (Liu & Zhang, ${\it Phys. Fluids.}$ ${\bf 23}$, 082101 (2011)). Viscoelasticity is found to influence the break-up point of the threads, which moves closer to the cross-junction and stabilizes. This is…
The state of a single-species monatomic gas from near-equilibrium to highly nonequilibrium conditions is investigated using analytical and numerical methods. Normal solutions of the Boltzmann equation for Fourier flow (uniform heat flux) and Couette flow (uniform shear stress) are found in terms of the heat-flux and shear-stress Knudsen numbers. Analytical solutions are found for inverse-power-law molecules from hard-sphere through Maxwell at small Knudsen numbers using Chapman-Enskog (CE) theory and for Maxwell molecules at finite Knudsen numbers using a moment-hierarchy (MH) method. Correspo…
How to accurately probe chemically reactive flows with essential thermodynamic nonequilibrium effects is an open issue. Via the Chapman-Enskog analysis, the local nonequilibrium particle velocity distribution function is derived from the gas kinetic theory. It is demonstrated theoretically and numerically that the distribution function depends on the physical quantities and derivatives, and is independent of the chemical reactions directly. Based on the simulation results of the discrete Boltzmann model, the departure between equilibrium and nonequilibrium distribution functions is obtained an…
We study droplet dynamics and breakup in generic time-dependent flows via a multicomponent Lattice Boltzmann algorithm, with emphasis on flow start up conditions. We first study droplet breakup in a confined oscillatory shear flow via two different protocols. In one set up, we start from an initially spherical droplet and turn on the flow abruptly ("shock method"); in the other protocol, we start from an initially spherical droplet as well, but we progressively increase the amplitude of the flow, by allowing the droplet to relax to the steady state for each increase in amplitude, before increa…
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 (HI). 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 non-fluctuating 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 p…
