Related papers: A Microscopic Model of Gemini Surfactants: Self-as…
We develop a simulation method which allows us to calculate the critical micelle concentrations for ionic surfactants in the presence of different salts. The results are in good agreement with the experimental data. The simulations are…
The behavior of confined cylindrical micelle-forming surfactants under the influence of shear has been investigated using Monte Carlo simulations. The surfactants are modeled as coarse-grained lattice polymers, while the Monte Carlo shear…
Molecular clouds (MCs) are stellar nurseries, however, formation of stars within MCs depends on the ambient physical conditions. MCs, over a free-fall time are exposed to numerous dynamical phenomena, of which, the interaction with a thin,…
We investigate the aggregation of amphiphilic molecules by adapting the two-state Muller-Lee-Graziano model for water, in which a solvent-induced hydrophobic interaction is included implicitly. We study the formation of various types of…
The physical mechanism of microbial motion near solid-liquid interfaces is crucial for understanding various biological phenomena and developing ecological applications. However, limited works have been conducted on the swimming behavior of…
The multiphase flow of droplets is widespread, both at the industrial and the microscale, for both biological and non-biological applications alike. But the ensemble interactions of such systems are inherently nonlinear and complex,…
Quantifying the critical micelle concentration (CMC) and understanding its relationship with both the intrinsic molecular structures and environmental conditions are crucial for the rational design of surfactants. Here, we develop a…
Employing smart Monte Carlo sampling techniques within the grand canonical ensemble, we investigate the properties of water at a model hydrophobic substrate. By reducing the strength of substrate-water attraction we find that fluctuations…
We present a model for the joint self-assembly of amphiphilic polymers and small amphiphilic molecules (surfactants) in a dilute aqueous solution. The polymer is assumed to consist of a hydrophilic backbone and a large number of hydrophobic…
We investigate the rheology, microscopic structure, and dynamics of an industrially relevant dispersion made of cationic surfactant vesicles, from dilute to concentrated conditions. We find that these suspensions exhibit a shear-thinning…
Hierarchical materials in the natural world are often made through the self-assembly of amphiphilic molecules. Achieving similar structural complexity in synthetic materials requires understanding how various molecular parameters affect…
The wavelength of a periodic spatial structure of Turing type is an intrinsic property of the considered reaction-diffusion dynamics and we address the question of its control at the microscopic scale for given dynamical parameters. The…
In this work, we propose a novel transport model for soluble surfactants in two-phase flows. In a two-phase flow, the soluble surfactants can adsorb/desorb from/into the bulk of any of the phases to the interface and can modify the…
We investigate the self-assembly process of a surfactant with inverted polarity in water and cyclohexane using both all-atom and coarse grained hybrid particle-field molecular dynamics simulations. Unlike conventional surfactants, the…
We study the conformation and scaling properties of a self-avoiding fluid membrane, subject to an osmotic pressure $p$, by means of Monte Carlo simulations. Using finite size scaling methods in combination with a histogram reweighting…
We study the behavior of aqueous surfactant solutions in the bulk phase and in slit-like pores by molecular dynamics. Adsorption and self-assembly of nonionic surfactants C$_7$E$_3$ that mimic alkyl poly(ethylene oxide) molecules are…
The formation and evolution of giant molecular clouds (GMCs) in spiral galaxies have been investigated in the traditional framework of the combined quasi-stationary density wave and galactic shock model. However, our understanding of the…
The movement of microorganisms near solid-liquid interfaces is a topic of significant scientific interest due to its relevance in various natural and industrial contexts, such as biofilm formation and marine biofouling. In this study, we…
A coarse-grained computational model is used to investigate the effect of a fluctuating fluid membrane on the dynamics of patchy-particle assembly into virus capsid-like cores. Results from simulations for a broad range of parameters are…
Hard spheres are an important benchmark of our understanding of natural and synthetic systems. In this work, colloidal experiments and Monte Carlo simulations examine the equilibrium and out-of-equilibrium assembly of hard spheres of…