Comparative study of two lattice Boltzmann multiphase models for simulating wetting phenomena: implementing static contact angles based on the geometric formulation

Wetting phenomena are widespread in nature and industrial applications. In general, systems concerning wetting phenomena are typical multicomponent/multiphase complex fluid systems. Simulating the behavior of such systems is important to both scientific research and practical applications. It is challenging due to the complexity of the phenomena and difficulties in choosing an appropriate numerical method. To provide some detailed guidelines for selecting a suitable multiphase lattice Boltzmann model, two kinds of lattice Boltzmann multiphase models, the modified S-C model and the H-C-Z model, are used in this paper to investigate the static contact angle on solid surfaces with different wettability combined with the geometric formulation (Ding, H. and Spelt, P. D. M. Wetting condition in diffuse interface simulations of contact line motion. Physical Review E, 75(4), 046708 (2007)). The specific characteristics and computational performance of these two lattice Boltzmann method (LBM) multiphase models are analyzed including relationship between surface tension and the control parameters, the achievable range of the static contact angle, the maximum magnitude of the spurious currents (MMSC), and most importantly, the convergence rate of the two models on simulating the static contact angle. The results show that a wide range of static contact angles from wetting to non-wetting can be realized for both models. MMSC mainly depends on the surface tension. With the numerical parameters used in this work, the maximum magnitudes of the spurious currents of the two models are on the same order of magnitude. MMSC of the S-C model is universally larger than that of the H-C-Z model. The convergence rate of the S-C model is much faster than that of the H-C-Z model. The major foci in this work are the frequently-omitted important details in simulating wetting phenomena. Thus, the major findings in this work can provide suggestions for simulating wetting phenomena with LBM multiphase models along with the geometric formulation.     

Numerical simulations of droplet formation in a cross‐junction microchannel by the lattice Boltzmann method

An immiscible liquid–liquid multiphase flow in a cross‐junction microchannel was numerically studied using the lattice Boltzmann method. An improved, immiscible lattice BGK model was proposed by introducing surface tension force based on the continuum surface force (CSF) method. Recoloring step was replaced by the anti‐diffusion scheme in the mixed region to reduce the side‐effect and control the thickness of the interface. The present method was tested by the simulation of a static bubble. Laplace's law and spurious velocities were examined. The results show that our model is more advantageous for simulations of immiscible fluids than the existing immiscible lattice BGK models. Computational results of multiphase flow in a cross‐junction microchannel were obtained and analyzed based on dimensionless numbers. It is found that the flow pattern is decided mostly by the capillary number at a small inlet flux. However, at the same capillary number, a large inlet flux will lead to much smaller droplet generation. For this case, the flow is determined by both the capillary number and the Weber number. Copyright © 2007 John Wiley & Sons, Ltd.     

Simulation of liquid–vapour phase transitions and multiphase flows by an improved lattice Boltzmann model

An improved lattice Boltzmann (LB) model with a new scheme for the interparticle interaction force term is proposed in this paper. Based on the improved LB model, the equation-free method is implemented for simulating liquid–vapour phase change and multiphase flows. The details of phase separation are presented by numerical simulation results in terms of coexistence curves and spurious currents. Compared with existing models, the proposed model can give more accurate results in a wider temperature range with the spurious currents reduced and less time consumed. Characteristics of phase separation can be quickly and accurately reflected by the proposed method. Then, the contact angle of the solid surface is numerically investigated based on the proposed model. The proposed model is valid for steady flow with near zero velocity; unsteady cases will be investigated in further studies. This work will be helpful for our long-term aim of multi-scale modelling of convective boiling.     

A filter‐based,mass‐conserving lattice Boltzmann method for immiscible multiphase flows

Some issues of He–Chen–Zhang lattice Boltzmann equation (LBE) method (referred as HCZ model) (J. Comput. Physics 1999; 152 :642–663) for immiscible multiphase flows with large density ratio are assessed in this paper. An extended HCZ model with a filter technique and mass correction procedure is proposed based on HCZ's LBE multiphase model. The original HCZ model is capable of maintaining a thin interface but is prone to generating unphysical oscillations in surface tension and index function at moderate values of density ratio. With a filtering technique, the monotonic variation of the index function across the interface is maintained with larger density ratio. Kim's surface tension formulation for diffuse–interface method (J. Comput. Physics 2005; 204 :784–804) is then used to remove unphysical oscillation in the surface tension. Furthermore, as the density ratio increases, the effect of velocity divergence term neglected in the original HCZ model causes significant unphysical mass sources near the interface. By keeping the velocity divergence term, the unphysical mass sources near the interface can be removed with large density ratio. The long‐time accumulation of the modeling and/or numerical errors in the HCZ model also results in the error of mass conservation of each dispersed phase. A mass correction procedure is devised to improve the performance of the method in this regard. For flows over a stationary and a rising bubble, and capillary waves with density ratio up to 100, the present approach yields solutions with interface thickness of about five to six lattices and no long‐time diffusion, significantly advancing the performance of the LBE method for multiphase flow simulations. Copyright © 2010 John Wiley & Sons, Ltd.     

A hybrid phase field multiple relaxation time lattice Boltzmann method for the incompressible multiphase flow with large density contrast

A hybrid phase field multiple relaxation time lattice Boltzmann method (LBM) is presented in this paper for simulation of multiphase flows with large density contrast. In the present method, the flow field is solved by a lattice Boltzmann equation. Concurrently, the interface of two fluids is captured by solving the macroscopic Cahn‐Hilliard equation using the upwind scheme. To be specific, for simulation of the flow field, an lattice Boltzmann equation (LBE) model developed in Shao et al. (Physical Review E, 89 (2014), 033309) for consideration of density contrast in the momentum equation is used. Moreover, in the present work, the multiple relaxation time collision operator is applied to this LBE to enable simulation of problems with large viscosity contrast or high Reynolds number. For the interface capturing, instead of solving another set of LBE as in many phase field LBMs, the macroscopic Cahn‐Hilliard equation is directly solved by using a weighted essentially non‐oscillatory scheme. In this way, the present hybrid phase field LBM shares full advantages of the phase field LBM while enhancing numerical stability. The ability of the present method to simulate multiphase flow problems with large density contrast is demonstrated by several numerical examples. Copyright © 2015 John Wiley & Sons, Ltd.     

Three-dimensional lattice Boltzmann simulations of droplet formation in a cross-junction microchannel

An immiscible liquid–liquid multiphase flow in a cross-junction microchannel was numerically studied by the lattice Boltzmann method. An improved, immiscible lattice BGK model was proposed by introducing interfacial tension force based on the continuum surface force (CSF) method. The recoloring step was replaced by the anti-diffusion scheme in the mixed region to reduce the side-effect and control the thickness of the interface. The present method was tested by the simulations on a static bubble and the simulations of Taylor deformation. Laplace’s law, spurious velocities, the thickness of interface, the pressure distribution and the small deformation theory were examined. It proves that our model is more advantageous for the simulation of immiscible fluids over the original immiscible lattice BGK model. The simulations of droplet formation in a cross-junction microchannel were performed and compared with the experiments. The numerical results show good agreements with the experimental ones for the evolution of droplet and the droplet size at various inlet velocities. Besides, a dimensionless analysis was carried out. The resulting droplet sizes depend on the Capillary number to a great extent under current conditions.     

Simulating 3D deformable particle suspensions using lattice Boltzmann method with discrete external boundary force

A method for direct numerical analysis of three‐dimensional deformable particles suspended in fluid is presented. The flow is computed on a fixed regular ‘lattice’ using the lattice Boltzmann method (LBM), where each solid particle is mapped onto a Lagrangian frame moving continuously through the domain. Instead of the bounce‐back method, an external boundary force (EBF) is used to impose the no‐slip boundary condition at the fluid–solid interface for stationary or moving boundaries. The EBF is added directly to the lattice Boltzmann equation. The motion and orientation of the particles are obtained from Newtonian dynamics equations. The advantage of this approach is outlined in comparison with the standard and higher‐order interpolated bounce‐back methods as well as the LBM immersed‐boundary and the volume‐of‐fluid methods. Although the EBF method is general, in this application, it is used in conjunction with the lattice–spring model for deformable particles. The methodology is validated by comparing with experimental and theoretical results. Copyright © 2009 John Wiley & Sons, Ltd.     

Spurious currents in finite element based level set methods for two‐phase flow

A study of spurious currents in continuous finite element based simulations of the incompressible Navier–Stokes equations for two‐phase flows is presented on the basis of computations on a circular drop in equilibrium. The conservative and the standard level set methods are used. It is shown that a sharp surface tension force, expressed as a line integral along the interface, can give rise to large spurious currents and oscillations in the pressure that do not decrease with mesh refinement. If instead a regularized surface tension representation is used, exact force balance at the interface is possible, both for a fully coupled discretization approach and for a fractional step projection method. However, the numerical curvature calculation introduces errors that cause spurious currents. Different ways to extend the curvature from the interface to the whole domain are discussed and investigated. The impact of using different finite element spaces and stabilization methods is also considered. Copyright © 2011 John Wiley & Sons, Ltd.     

柔性微粒介电泳分离过程的多尺度模拟

介电泳分离是一种高效的微细颗粒分离技术,利用非均匀电场极化并操纵分离微流道中的颗粒. 柔性微粒在介电泳分离过程中同时受多种物理场、多相流和微粒变形等复杂因素的影响,仅用单一的计算方法对其进行模拟存在一定的难度,本文采用有限单元——格子玻尔兹曼耦合计算的方法处理这一难题.介观尺度的格子玻尔兹曼方法将流体看成由大量微小粒子组成,在离散格子上求解玻尔兹曼输运方程,易于处理多相流及大变形问题,特别适合模拟柔性颗粒在介电泳分离过程中的变形情况.另一方面,介电泳分离过程的模拟需求解流体、电场和微粒运动方程,计算量相当庞大,通过有限单元法求解介电泳力,提高计算效率.利用这种多尺度耦合计算方法,对一款现有的介电泳芯片分离过程进行了模拟.分析了微粒在电场作用下产生的介电泳力,揭示了介电泳力与电场变化率等因素之间的关系.对微粒运动轨迹及其变形的情况进行了研究,发现微粒的变形主要与流体剪切作用有关.这种多尺度耦合计算方法,为复杂微流体的计算提供了一种有效的解决方案.      

Application of the lattice‐Boltzmann method to study flow and dispersion in channels with and without expansion and contraction geometry

The lattice‐Boltzmann (LB) method, derived from lattice gas automata, is a relatively new technique for studying transport problems. The LB method is investigated for its accuracy to study fluid dynamics and dispersion problems. Two problems of relevance to flow and dispersion in porous media are addressed: (i) Poiseuille flow between parallel plates (which is analogous to flow in pore throats in two‐dimensional porous networks), and (ii) flow through an expansion–contraction geometry (which is analogous to flow in pore bodies in two‐dimensional porous networks). The results obtained from the LB simulations are compared with analytical solutions when available, and with solutions obtained from a finite element code (FIDAP) when analytical results are not available. Excellent agreement is found between the LB results and the analytical/FIDAP solutions in most cases, indicating the utility of the lattice‐Boltzmann method for solving fluid dynamics and dispersion problems. Copyright © 1999 John Wiley & Sons, Ltd.     

Unstructured lattice Boltzmann method in three dimensions

Over the last decade, the lattice Boltzmann method (LBM) has evolved into a valuable alternative to continuum computational fluid dynamics (CFD) methods for the numerical simulation of several complex fluid‐dynamic problems. Recent advances in lattice Boltzmann research have considerably extended the capability of LBM to handle complex geometries. Among these, a particularly remarkable option is represented by cell‐vertex finite‐volume formulations which permit LBM to operate on fully unstructured grids. The two‐dimensional implementation of unstructured LBM, based on the use of triangular elements, has shown capability of tolerating significant grid distortions without suffering any appreciable numerical viscosity effects, to second‐order in the mesh size. In this work, we present the first three‐dimensional generalization of the unstructured lattice Boltzmann technique (ULBE as unstructured lattice Boltzmann equation), in which geometrical flexibility is achieved by coarse‐graining the lattice Boltzmann equation in differential form, using tetrahedrical grids. This 3D extension is demonstrated for the case of 3D pipe flow and moderate Reynolds numbers flow past a sphere. The results provide evidence that the ULBE has significant potential for the accurate calculation of flows in complex 3D geometries. Copyright © 2005 John Wiley & Sons, Ltd.     

Three-dimensional multi-relaxation time lattice-Boltzmann model for the drop impact on a dry surface at large density ratio

Extensive application of the multiphase lattice Boltzmann model to realistic fluid flows is often restricted by the numerical instabilities induced at high liquid-to-gas density ratios, and at low viscosities. In this paper, a three-dimensional multi-relaxation time (MRT) lattice Boltzmann model with an improved forcing scheme is reported for simulating multiphase flows at high liquid-to-gas density ratios and relatively high Reynolds numbers. The model is based on a recently presented model in the literature. Firstly, the MRT multiphase model is evaluated by verifying Laplace’s law and achieving thermodynamic consistency for a static droplet. Then, a relationship between the fluid–solid interaction potential parameter and contact angle is investigated. Finally, the improved three-dimensional MRT Lattice Boltzmann model is employed in the simulation of the impingement of a liquid droplet onto a flat surface for a range of Weber and Reynolds numbers. The dynamics of the droplet spreading is reproduced and the predicted maximum spread factor is in good agreement with experimental data published in the literature.     

Effect of Schmidt number on the structure and propagation of density currents

The results of a numerical study of two- and three-dimensional Boussinesq density currents are described. They are aimed at exploring the role of the Schmidt number on the structure and dynamics of density driven currents. Two complementary approaches are used, namely a spectral method and a finite-volume interface capturing method. They allow for the first time to describe density currents in the whole range of Schmidt number 1 ≤ Sc ≤ ∞ and Reynolds number 10² ≤ Re ≤ 10⁴. The present results confirm that the Schmidt number only weakly influences the structure and dynamics of density currents provided the Reynolds number of the flow is large, say of O(10⁴) or more. On the contrary low- to moderate-Re density currents are dependant on Sc as the structure of the mixing region and the front velocities are modified by diffusion effects. The scaling of the characteristic density thickness of the interface has been confirmed to behave as (ScRe)^−1/2. Three-dimensional simulations suggest that the patterns of lobes and clefts are independent of Sc. In contrast the Schmidt number is found to affect dramatically (1) the shape of the current head as a depression is observed at high-Sc, (2) the formation of vortex structures generated by Kelvin–Helmholtz instabilities. A criterion is proposed for the stability of the interface along the body of the current based on the estimate of a bulk Richardson number. This criterion, derived for currents of arbitrary density ratio, is in agreement with present computed results as well as available experimental and numerical data.      

Development of LBGK and incompressible LBGK‐based lattice Boltzmann flux solvers for simulation of incompressible flows

This paper presents lattice Boltzmann Bhatnagar–Gross–Krook (LBGK) model and incompressible LBGK model‐based lattice Boltzmann flux solvers (LBFS) for simulation of incompressible flows. LBFS applies the finite volume method to directly discretize the governing differential equations recovered by lattice Boltzmann equations. The fluxes of LBFS at each cell interface are evaluated by local reconstruction of lattice Boltzmann solution. Because LBFS is applied locally at each cell interface independently, it removes the major drawbacks of conventional lattice Boltzmann method such as lattice uniformity, coupling between mesh spacing, and time interval. With LBGK and incompressible LBGK models, LBFS are examined by simulating decaying vortex flow, polar cavity flow, plane Poiseuille flow, Womersley flow, and double shear flows. The obtained numerical results show that both the LBGK and incompressible LBGK‐based LBFS have the second order of accuracy and high computational efficiency on nonuniform grids. Furthermore, LBFS with both LBGK models are also stable for the double shear flows at a high Reynolds number of 10⁵. However, for the pressure‐driven plane Poiseuille flow, when the pressure gradient is increased, the relative error associated with LBGK model grows faster than that associated with incompressible LBGK model. It seems that the incompressible LBGK‐based LBFS is more suitable for simulating incompressible flows with large pressure gradients. Copyright © 2014 John Wiley & Sons, Ltd.     

A lattice Boltzmann model for simulation of compressible flows

This paper presents a new model of lattice Boltzmann method for full compressible flows. On the basis of multi‐speed model, an extra potential energy distribution function is introduced to recover the full compressible Navier–Stokes equations with a flexible specific‐heat ratio and Prandtl number. The Chapman–Enskog expansion of the kinetic equations is performed, and the two‐dimension‐seventeen‐velocity density equilibrium distribution functions are obtained. The governing equations are discretized using the third order monotone upwind scheme for scalar conservation laws finite volume scheme. The van Albada limiter is used to avoid spurious oscillations. In order to verify the accuracy of this double‐distribution‐function model, the Riemann problems, Couette flows, and flows around a NACA0012 airfoil are simulated. It is found that the proposed lattice Boltzmann model is suitable for compressible flows, even for strong shock wave problem, which has an extremely large pressure ratio, 100,000. Copyright © 2014 John Wiley & Sons, Ltd.     

单组分多相系统驱替过程的格子Boltzmann模拟

结合格子Boltzmann方法中的Shan-Chen单组分多相模型,引入流体相间的内聚力和流体与 固体壁面间的黏附力,对二维孔隙网格中非浸润气相驱替完全浸润液相的过程进行模拟,流 体相间的交界面自然形成,整个驱替过程属于毛细指进. 随着毛细数的增加,黏性力的主导 作用增强,使得气相入侵的孔隙尺度减小,因此驱替形态随毛细数的不同有很大差别. 在微 重力的作用下,整个驱替过程受毛细力、重力和黏性力的共同作用,重力起到了稳定交界面 避免窜流的作用.     

Lattice Boltzmann modeling of pore‐scale fluid flow through idealized porous media

In order to capture the hydro‐mechanical impacts on the solid skeleton imposed by the fluid flowing through porous media at the pore‐scale, the flow in the pore space has to be modeled at a resolution finer than the pores, and the no‐slip condition needs to be enforced at the grain–fluid interface. In this paper, the lattice Boltzmann method (LBM), a mesoscopic Navier–Stokes solver, is shown to be an appropriate pore‐scale fluid flow model. The accuracy and lattice sensitivity of LBM as a fluid dynamics solver is demonstrated in the Poiseuille channel flow problem (2‐D) and duct flow problem (3‐D). Well‐studied problems of fluid creeping through idealized 2‐D and 3‐D porous media (J. Fluid Mech. 1959; 5 (2):317–328, J. Fluid Mech. 1982; 115 :13–26, Int. J. Multiphase Flow 1982; 8 (4):343–360, Phys. Fluids A 1989; 1 (1):38–46, Int. J. Numer. Anal. Meth. Geomech. 1999; 23 :881–904, Int. J. Numer. Anal. Meth. Geomech. 2010; DOI: 10.1002/nag.898, Int. J. Multiphase Flow 1982; 8 (3):193–206) are then simulated using LBM to measure the friction coefficient for various pore throats. The simulation results agree well with the data reported in the literature. The lattice sensitivity of the frictional coefficient is also investigated. Copyright © 2010 John Wiley & Sons, Ltd.     

Fundamentals of migrating multi-block lattice Boltzmann model for immiscible mixtures in 2D geometries

This paper proposes an extension scheme for the application of the single phase multi-block lattice Boltzmann method (LBM) to the multiphase Gunstensen model, in which the grid is refined in a specific part of the domain where a fluid–fluid interface evolves, and the refined grid is free to migrate with the suspended phase in the flow direction. The method is applicable to single and multiphase flows, and it was demonstrated by simulating a benchmark single phase flow around a 2D asymmetrically placed cylinder in a channel and for investigating the shear lift of 2D neutrally buoyant drop in a parabolic flow.     

Motion,deformation, and coalescence of ferrofluid droplets subjected to a uniform magnetic field

In this article, we present the motion, deformation, and coalescence of ferrofluid droplets suspended in a nonmagnetic fluid, subjected to a uniform magnetic field in both vertical and horizontal directions. A coupling between the simplified multiphase lattice Boltzmann method and the self-correcting scheme is constructed to numerically solve the two-dimensional flow field and the magnetostatics equations, respectively. The Cahn-Hilliard equation is employed to seize the diffuse interface between magnetic and nonmagnetic fluids. In order to validate the model, deformation of a ferrofluid droplet suspended in nonmagnetic fluid is simulated as a test case and the results are compared with numerical and experimental results. Furthermore, a detailed analysis on the behavior of falling ferrofluid droplets and the coalescence between a pair of ferrofluid droplets under the effect of different magnetic fields and different droplets configurations are also presented in this article. The results provide significant insight and a better understanding of these phenomena. It is found that for higher values of magnetic bond number and susceptibility, the droplet deformation is significant and the falling process is faster while a reverse behavior is observed for higher values of Eötvös number. Moreover, the magnetic energy density exhibits an interesting behavior in the vicinity of the droplets. It is concentrated between the droplets with a nonuniform distribution when the droplets are close to each other.