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

Modelling of surfactant-driven front instabilities in spreading bacterial colonies

The spreading of bacterial colonies at solid-air interfaces is determined by the physico-chemical properties of the involved interfaces. The production of surfactant molecules by bacteria is a widespread strategy that allows the colony to efficiently expand over the substrate. On the one hand, surfactant molecules lower the surface tension of the colony, effectively increasing the wettability of the substrate, which facilitates spreading. On the other hand, gradients in the surface concentration of surfactant molecules result in Marangoni flows that drive spreading. These flows may cause an instability of the circular colony shape and the subsequent formation of fingers. In this work, we study the effect of bacterial surfactant production and substrate wettability on colony growth and shape within the framework of a hydrodynamic thin film model. We show that variations in the wettability and surfactant production are sufficient to reproduce four different types of colony growth, which have been described in the literature, namely, arrested and continuous spreading of circular colonies, slightly modulated front lines and the formation of pronounced fingers

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