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

A hybrid lattice Boltzmann and finite difference method for two-phase flows with soluble surfactants

A hybrid method is developed to simulate two-phase flows with soluble surfactants. In this method, the interface and bulk surfactant concentration equations of diffuse-interface form, which include source terms to consider surfactant adsorption and desorption dynamics, are solved in the entire fluid domain by the finite difference method, while two-phase flows are solved by a lattice Boltzmann color-gradient model, which can accurately simulate binary fluids with unequal densities. The flow and interface surfactant concentration fields are coupled by a modified Langmuir equation of state, which allows for surfactant concentration beyond critical micelle concentration. The capability and accuracy of the hybrid method are first validated by simulating three numerical examples, including the adsorption of bulk surfactants onto the interface of a stationary droplet, the droplet migration in a constant surfactant gradient, and the deformation of a surfactant-laden droplet in a simple shear flow, in which the numerical results are compared with theoretical solutions and available literature data. Then, the hybrid method is applied to simulate the buoyancy-driven bubble rise in a surfactant solution, in which the influence of surfactants is identified for varying wall confinement, Eotvos number and Biot number. It is found that surfactants exhibit a retardation effect on the bubble rise due to the Marangoni stress that resists interface motion, and the retardation effect weakens as the Eotvos or Biot number increases. We further show that the weakened retardation effect at higher Biot numbers is attributed to a decreased non-uniform effect of surfactants at the interface

A cut finite element method for coupled bulk-surface problems on time-dependent domains

In this contribution we present a new computational method for coupled bulk-surface problems on time-dependent domains. The method is based on a space-time formulation using discontinuous piecewise linear elements in time and continuous piecewise linear elements in space on a fixed background mesh. The domain is represented using a piecewise linear level set function on the background mesh and a cut finite element method is used to discretize the bulk and surface problems. In the cut finite element method the bilinear forms associated with the weak formulation of the problem are directly evaluated on the bulk domain and the surface defined by the level set, essentially using the restrictions of the piecewise linear functions to the computational domain. In addition a stabilization term is added to stabilize convection as well as the resulting algebraic system that is solved in each time step. We show in numerical examples that the resulting method is accurate and stable and results in well conditioned algebraic systems independent of the position of the interface relative to the background mesh

Computational analysis of single rising bubbles influenced by soluble surfactant

This paper presents novel insights about the influence of soluble surfactants on bubble flows obtained by Direct Numerical Simulation (DNS). Surfactants are amphiphilic compounds which accumulate at fluid interfaces and significantly modify the respective interfacial properties, influencing also the overall dynamics of the flow. With the aid of DNS local quantities like the surfactant distribution on the bubble surface can be accessed for a better understanding of the physical phenomena occurring close to the interface. The core part of the physical model consists in the description of the surfactant transport in the bulk and on the deformable interface. The solution procedure is based on an Arbitrary Lagrangian-Eulerian (ALE) Interface-Tracking method. The existing methodology was enhanced to describe a wider range of physical phenomena. A subgrid-scale (SGS) model is employed in the cases where a fully resolved DNS for the species transport is not feasible due to high mesh resolution requirements and, therefore, high computational costs. After an exhaustive validation of the latest numerical developments, the DNS of single rising bubbles in contaminated solutions is compared to experimental results. The full velocity transients of the rising bubbles, especially the contaminated ones, are correctly reproduced by the DNS. The simulation results are then studied to gain a better understanding of the local bubble dynamics under the effect of soluble surfactant. One of the main insights is that the quasi-steady state of the rise velocity is reached without ad- and desorption being necessarily in local equilibrium

Phase field modelling of surfactants in multi-phase flow

A diffuse interface model for surfactants in multi-phase flow with three or more fluids is derived. A system of Cahn-Hilliard equations is coupled with a Navier-Stokes system and an advection-diffusion equation for the surfactant ensuring thermodynamic consistency. By an asymptotic analysis the model can be related to a moving boundary problem in the sharp interface limit, which is derived from first principles. Results from numerical simulations support the theoretical findings. The main novelties are centred around the conditions in the triple junctions where three fluids meet. Specifically the case of local chemical equilibrium with respect to the surfactant is considered, which allows for interfacial surfactant flow through the triple junctions