表面活性剂浓度对球形气泡界面和尾流的影响

发展了一种研究气泡界面污染程度的数值模型,并用其对流场中不同表面活性剂浓度下、上浮气泡的界面参量和周围流场进行了模拟研究。该模型假设吸附于气泡界面的表面活性剂分布在毗邻气液界面的薄吸附层中,且气泡界面上表面活性剂的吸附与解吸过程也发生于此;界面切应力为界面浓度的函数。研究发现:气泡界面的流动性会因表面活性剂的吸附而降低,该现象会增大气泡周围流域中切向速度在界面法向上的变化量,从而对界面性质和周围流场产生影响;由于对流的作用和吸附-解吸动态平衡的存在,气泡前部界面不完全干净,且受污染界面的流动性也不完全为零。     

A front-tracking method for computation of interfacial flows with soluble surfactants

A finite-difference/front-tracking method is developed for computations of interfacial flows with soluble surfactants. The method is designed to solve the evolution equations of the interfacial and bulk surfactant concentrations together with the incompressible Navier–Stokes equations using a non-linear equation of state that relates interfacial surface tension to surfactant concentration at the interface. The method is validated for simple test cases and the computational results are found to be in a good agreement with the analytical solutions. The method is then applied to study the cleavage of drop by surfactant—a problem proposed as a model for cytokinesis [H.P. Greenspan, On the dynamics of cell cleavage, J. Theor. Biol. 65(1) (1977) 79; H.P. Greenspan, On fluid-mechanical simulations of cell division and movement, J. Theor. Biol., 70(1) (1978) 125]. Finally the method is used to model the effects of soluble surfactants on the motion of buoyancy-driven bubbles in a circular tube and the results are found to be in a good agreement with available experimental data.     

Numerical simulation of continuum models for fluid-fluid interface dynamics

This paper is concerned with numerical methods for two-phase incompressible flows assuming a sharp interface model for interfacial stresses. Standard continuum models for the fluid dynamics in the bulk phases, for mass transport of a solute between the phases and for surfactant transport on the interface are given. We review some recently developed finite element methods for the appropriate discretization of such models, e.?g., a pressure extended finite element (XFE) space which is suitable to represent the pressure jump, a space-time extended finite element discretization for the mass transport equation of a solute and a surface finite element method (SurFEM) for surfactant transport. Numerical experiments based on level set interface capturing and adaptive multilevel finite element discretization are presented for rising droplets with a clean interface model and a spherical droplet in a Poisseuille flow with a Boussinesq-Scriven interface model.     

Novel surface tension isotherm for surfactants based on local density functional theory

In this Letter we report a new general method for calculating of surface tension isotherms in the presence of surfactants, based on a local density functional. We illustrate this method by deriving the interfacial tension isotherm for nonionic surfactants at an air-water or oil-water interface by using the self-consistent field theory of polymer brushes. We consider a particular case of local density functional to calculate explicitly how the interfacial tension and the surfactant adsorption depend on the surfactant bulk concentration. Experimental data for the surface tension and the surfactant adsorption isotherm for nonionic surfactants were interpreted with the help of the new isotherm. Very good agreement between the adsorption of n-dodecyl pentaoxyethylene glycol ether (C12E5) at an air-water interface, calculated from the surface tension isotherm and small-angle neutron-scattering is obtained.     

Phase-field modeling droplet dynamics with soluble surfactants

Using lattice Boltzmann approach, a phase-field model is proposed for simulating droplet motion with soluble surfactants. The model can recover the Langmuir and Frumkin adsorption isotherms in equilibrium. From the equilibrium equation of state, we can determine the interfacial tension lowering scale according to the interface surfactant concentration. The model is able to capture short-time and long-time adsorption dynamics of surfactants. We apply the model to examine the effect of soluble surfactants on droplet deformation, breakup and coalescence. The increase of surfactant concentration and attractive lateral interaction can enhance droplet deformation, promote droplet breakup, and inhibit droplet coalescence. We also demonstrate that the Marangoni stresses can reduce the interface mobility and slow down the film drainage process, thus acting as an additional repulsive force to prevent the droplet coalescence.     

An interaction potential based lattice Boltzmann method with adaptive mesh refinement (AMR) for two-phase flow simulation

The lattice Boltzmann method (LBM) for two-phase flow simulation is often hindered by insufficient resolution at the interface. As a result, the LBM simulation of bubbles in bubbling flows is commonly limited to spherical or slightly deformed bubble shapes. In this study, the adaptive mesh refinement method for the LBM is developed to overcome such a problem. The approach for this new method is based on the improved interaction potential model, which is able to maintain grid-independent fluid properties in the two-fluid phases and at the interface. The LBM–AMR algorithm is described, especially concerning the LBM operation on a non-uniform mesh and the improved interaction potential model. Numerical simulations have been performed to validate the method in both single phase and multiphase flows. The 2D and 3D simulations of the buoyant rise of bubbles are conducted under various conditions. The agreement between the simulated bubble shape and velocity with experiments illustrates the capability of the LBM–AMR approach in predicting bubble dynamics even under the large bubble deformation conditions. Further, the LBM–AMR technique is capable of simulating a complex topology change of the interface. Integration of LBM with AMR can significantly improve the accuracy and reduce computation cost. The method developed in this study may appreciably enhance the capability of LBM in the simulation of complex multiphase flows under realistic conditions.     

自由上浮气泡运动特性的光滑粒子流体动力学模拟

基于虚功原理, 在Hu X Y等和Grenier N等的研究结果基础上推导了多相流光滑粒子流体动力学(smoothed particle hydrodynamics, SPH)控制方程, 采用精度较高的黏性力和表面张力模型, 发展了一套适用于具有大密度比和大黏性比界面的多相流SPH方法. 首先, 通过施加人工位移修正, 适当背景压力和异相界面力, 使得计算全程粒子分布相对均匀, 改善了界面处的失稳现象, 防止了异相界面处粒子的非物理性穿透; 在此基础上, 利用方形流体团振荡模型对表面张力模型进行了验证, 数值结果与解析解甚为吻合; 然后采用上浮气泡经典数值算例对比研究了不同黏性力计算方法、不同核函数的适用性以及人工位移修正的效果; 最后, 对单个气泡的上浮、变形、撕裂以及垂向两个气泡的追赶、融合等现象进行了模拟, 初步揭示了气泡上浮过程中各种有趣物理现象的细节过程和动力学机理.     

A front-tracking/ghost-fluid method for fluid interfaces in compressible flows

A front-tracking/ghost-fluid method is introduced for simulations of fluid interfaces in compressible flows. The new method captures fluid interfaces using explicit front-tracking and defines interface conditions with the ghost-fluid method. Several examples of multiphase flow simulations, including a shock–bubble interaction, the Richtmyer–Meshkov instability, the Rayleigh–Taylor instability, the collapse of an air bubble in water and the breakup of a water drop in air, using the Euler or the Navier–Stokes equations, are performed in order to demonstrate the accuracy and capability of the new method. The computational results are compared with experiments and earlier computational studies. The results show that the new method can simulate interface dynamics accurately, including the effect of surface tension. Results for compressible gas–water systems show that the new method can be used for simulations of fluid interface with large density differences.     

雾化燃烧模拟一体化方法及应用研究

如何模拟液体燃料的雾化、掺混及燃烧过程,一直以来都备受关注。本文试图将无网格MPS(moving particlesemi-implicit rnethod)方法与颗粒轨道模型结合起来描述液体燃料从射流、破碎、雾化、输运全过程,并与基于Euler网格气相方程耦合求解,从而可以获得对雾化燃烧全过程模拟的一体化方法。初步结果显示,其方法和技术路线可行。     

Modeling Three-Dimensional Multiphase Flow Using a Level Contour Reconstruction Method for Front Tracking without Connectivity

Three-dimensional multiphase flow and flow with phase change are simulated using a simplified method of tracking and reconstructing the phase interface. The new level contour reconstruction technique presented here enables front tracking methods to naturally, automatically, and robustly model the merging and breakup of interfaces in three-dimensional flows. The method is designed so that the phase surface is treated as a collection of physically linked but not logically connected surface elements. Eliminating the need to bookkeep logical connections between neighboring surface elements greatly simplifies the Lagrangian tracking of interfaces, particularly for 3D flows exhibiting topology change. The motivation for this new method is the modeling of complex three-dimensional boiling flows where repeated merging and breakup are inherent features of the interface dynamics. Results of 3D film boiling simulations with multiple interacting bubbles are presented. The capabilities of the new interface reconstruction method are also tested in a variety of two-phase flows without phase change. Three-dimensional simulations of bubble merging and droplet collision, coalescence, and breakup demonstrate the new method's ability to easily handle topology change by film rupture or filamentary breakup. Validation tests are conducted for drop oscillation and bubble rise. The susceptibility of the numerical method to parasitic currents is also thoroughly assessed.     

Lattice-Boltzmann study of spontaneous emulsification

We study the dynamics of spontaneous emulsification of an initially planar oil-water interface when surfactants are added. The thermodynamic properties of the ternary oil-water-surfactant system are modeled by a Ginzburg-Landau-type free energy. The lattice Boltzmann method is used to solve the dynamic equations. The dynamics is found to be governed by a complicated interplay of convection and diffusion as the two relevant transport mechanisms. As long as the interface is almost flat, we find the interfacial area to grow first exponentially and then linearly in time. Later finger-like structures form which grow with a constant velocity. The tip velocity is found to increase roughly linearly with the mobility of the amphiphile, and to decrease as with the solvent viscosity . Received 5 January 1999     

Modeling merging and breakup in the moving mesh interface tracking method for multiphase flow simulations

The three-dimensional, moving mesh interface tracking (MMIT) method coupled with local mesh adaptations by Quan and Schmidt [S.P. Quan, D.P. Schmidt, A moving mesh interface tracking method for 3D incompressible two-phase flows, J. Comput. Phys. 221 (2007) 761–780] demonstrated the capability to accurately simulate multiphase flows, to handle large deformation, and also to perform interface pinch-off for some specific cases. However, another challenge, i.e. how to handle interface merging (such as droplet coalescence) has not been addressed. In this paper, we present a mesh combination scheme for interface connection and a more general mesh separation algorithm for interface breakup. These two schemes are based on the conversion of liquid cells in one phase to another fluid by changing the fluid properties of the cells in the combination or separation region. After the conversion, the newly created interface is usually ragged, and a local projection method is employed to smooth the interface. Extra mesh adaptation criteria are introduced to handle colliding interfaces with almost zero curvatures as the distance between the interfaces diminishes. Simulations of droplet pair collisions including both head-on and off-center coalescences show that the mesh adaptations are capable of resolving very small length scales, and the mesh combination and mesh separation schemes can handle the topological transitions in multiphase flows. The potential of our method to perform detailed investigations of droplet coalescence and breakup is also displayed.     

Lattice-Boltzmann simulations of dynamic interfacial tension due to soluble amphiphilic surfactant

An amphiphilic Lattice-Boltzmann approach is adopted to model dynamic interfacial tension due to non-ionic surfactant. In the current system, the surfactant adsorption kinetics is diffusion dominated and the interface separates two immiscible fluids. A rotational relaxation time and a diffusive/viscous relaxation time are associated with the surfactant. The model results are compared with experimental data for the dynamic interfacial tension of a pendant oil droplet in water, with oil soluble surfactant. We demonstrate how to adapt and calibrate the model to capture the adsorption timescale of the surfactant and the magnitude of interfacial tension reduction due to surfactant. A scheme to overcome numerical instabilities due to the relatively low surfactant concentration, is devised. We are able to qualitatively match the Frumkin equation of state for the interfacial tension.     

A diffuse-interface method for two-phase flows with soluble surfactants

A method is presented to solve two-phase problems involving soluble surfactants. The incompressible Navier-Stokes equations are solved along with equations for the bulk and interfacial surfactant concentrations. A non-linear equation of state is used to relate the surface tension to the interfacial surfactant concentration. The method is based on the use of a diffuse interface, which allows a simple implementation using standard finite difference or finite element techniques. Here, finite difference methods on a block-structured adaptive grid are used, and the resulting equations are solved using a non-linear multigrid method. Results are presented for a drop in shear flow in both 2D and 3D, and the effect of solubility is discussed.     

Study of acoustic bubble cluster dynamics using a lattice Boltzmann model

The search for the development of a reliable mathematical model for understanding bubble dynamics behavior is an ongoing endeavor.A long list of complex phenomena underlies the physics of this problem.In the past decades,the lattice Boltzmann method has emerged as a promising tool to address such complexities.In this regard,we have applied a 121-velocity multiphase lattice Boltzmann model to an asymmetric cluster of bubbles in an acoustic field.A problem as a benchmark is studied to check the consistency and applicability of the model.The problem of interest is to study the deformation and coalescence phenomena in bubble cluster dynamics,as well as the screening effect on an acoustic multibubble medium.It has been observed that the LB model is able to simulate the combination of the three aforementioned phenomena for a bubble cluster as a whole and for every individual bubble in the cluster.     

用格子Boltzmann方法数值模拟三维空化现象

空化是一种微观、瞬时、随机、多相的复杂现象,其过程中所产生的极端条件以及伴随的一系列空化效应,将对液流系统产生破坏性和建设性两方面的作用.采用基于Shan-Chen模型的单组分多相流格子Boltzmann方法对水体中的三维空化现象进行了数值模拟,研究了低压下水体中气核半径与空化现象的相互关系,成功再现了低压下水体中微小气核发展成气泡的过程,并进一步研究了水体依次流经低压区、高压区时空化产生、发展、溃灭的全过程.数值模拟结果和理论预测结果符合良好. 关键词： 单组分多相流 格子Boltzmann方法 三维空化     

An all-speed relaxation scheme for interface flows with surface tension

We consider interface flows where compressibility and capillary forces (surface tension) are significant. These flows are described by a non-conservative, unconditionally hyperbolic multiphase model. The numerical approximation is based on finite-volume method for unstructured grids. At the discrete level, the surface tension is approximated by a volume force (CSF formulation). The interface physical properties are recovered by designing an appropriate linearized Riemann solver (Relaxation scheme) that prevents spurious oscillations near material interfaces. For low-speed flows, a preconditioning linearization is proposed and the low Mach asymptotic is formally recovered. Numerical computations, for a bubble equilibrium, converge to the required Laplace law and the dynamic of a drop, falling under gravity, is in agreement with experimental observations.     

A level-set continuum method for two-phase flows with insoluble surfactant

A level-set continuum surface force method is presented to compute two-phase flows with insoluble surfactant. Our method recasts the Navier–Stokes equations for a two-phase flow with insoluble surfactant as “one-fluid” formulation. Interfacial transport and interfacial jump conditions are treated using the level-set method and the discrete Dirac function. Based on the density-weighted projection method, a stable semi-implicit scheme is used to decouple the velocity components in solving the regularized Navier–Stokes equations. It allows numerical simulations for a wide range of viscosity ratios and density ratios.Numerical simulations on single drop deformation in a 2D shear flow are presented. Simulations on two drop interaction shows that surfactants can play a critical role in preventing drop coalescence. A fully 3D simulation demonstrating the physical interactions of multiple surfactant-laden drops is presented.     

A molecular dynamics study on interfacial heat transport of alkanethiol surfactant coated nanofluids-effect of chain length and stiffness

The thermal transport across the alkanethiol surfactant layer at the nanoparticle/base fluid interface in nanofluids was investigated by molecular dynamics simulation, with consideration of the conformation of the surfactant layer with different surfactant chain lengths and backbone stiffness. The variation of temperature drop at nanoparticle-surfactant interface reveals that the interfacial thermal conductance was mediated by the chain length, possibly due to the difference in the adsorption density of surfactant on the surface of the nanoparticles, because of the blocking effect from the bending of the long alkyl chains. The intrinsic thermal conductivity of the surfactant layer increased with decreasing chain length and increasing chain stiffness because of the phonon scattering effect from the bending and cross-linking of the alkyl chains. We quantified the modes of heat flow across the surfactant layer and found that the contribution of intramolecular bonded interaction was much higher than that of atomic translation and nonbonded interaction separately. By analysing the variation of bonded interaction contrition with chain length and stiffness, it is demonstrated that the increased thermal conductivities benefited from the enhanced thermal transfer through the covalent bonds of surfactant molecules. The results can provide insights into the design of thermally conductive surfactants.     

Structure and dynamics of water at liquid–vapour interfaces covered by surfactant monolayers of neutral stearic acid and charged stearate ions

The behaviour of water molecules at liquid–vapour interfaces with a surfactant monolayer of either stearic acid molecules or anionic stearate ions is investigated by means of molecular dynamics simulations. The density and dipolar orientational profiles and also the dynamics of translational and rotational motion of interfacial water molecules are calculated in the present work and the results are compared with the bulk liquid water and also of liquid–vapour interface of surfactant-free water. The present simulation results are also compared with available experimental results of similar interfacial systems with a monolayer of either neutral or ionic surfactants.