相关论文: Analytical modeling of micelle growth. 4. Molecula…
Hypotheses: Quantitative molecular-thermodynamic theory of the growth of giant wormlike micelles in mixed nonionic surfactant solutions can be developed on the basis of a generalized model, which includes the classical phase separation and…
Hypotheses: A quantitative molecular-thermodynamic theory of the growth of giant wormlike micelles of nonionic surfactants can be developed on the basis of a generalized model, which includes the classical 'phase separation' and 'mass…
Hypotheses: To correctly predict the aggregation number and size of wormlike micelles from ionic surfactants, the molecular-thermodynamic theory has to calculate the free energy per molecule in the micelle with accuracy better than 0.01 kT,…
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…
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…
We investigate the morphology and energetics of a self-associating model cationic surfactant in water using coarse-grained molecular dynamics simulations. We develop an algorithm to track micelles contours and quantify various…
We present the first molecular dynamics study to probe the mechanisms of anomalous diffusion in cationic surfactant micelles in the presence of explicit salt and solvent-mediated interactions. Simulations show that when the counter ion…
The formation of self assembled structures such as micelles has been intensively studied and is well understood. The ability of a solution of amphiphilic molecules to develop micelles is depending on the concentration and characterized by…
The concept of a `persistent worm' is introduced, representing the smallest possible length of a wormlike micelle, and modelled by a bead-spring chain with sticky beads at the ends. Persistent worms are allowed to combine with each other at…
We present a new theoretical approach to the kinetics of micelle formation in surfactant solutions, in which the various stages of aggregation are treated as constrained paths on a single free-energy landscape. Three stages of…
Flow-induced configuration dynamics and scission of rodlike micelles are studied for the first time using molecular dynamics simulations in presence of explicit solvent and salt. Predicted dependence of tumbling frequency and orientation…
We develop a theoretical model for the solubilization of phospholipid bilayers by micelle-forming surfactants. Cylindrical micelles, disc-like micelles and spherical micelles are considered as alternative resultant structures. The main…
In this review, we report recent developments on the shear-induced transitions and instabilities found in surfactant wormlike micelles. The survey focuses on the non-linear shear rheology and covers a broad range of surfactant…
A micelle consists of monolayer of lipid molecules containing hydrophilic head and hydrophobic tail. These amphiphilic molecules in aqueous environment aggregate spontaneously into monomolecular layer held together due to hydrophobic effect…
The extensive application of surfactants motivates comprehensive and predictive theoretical studies that improve our understanding of the behaviour of these complex systems. In this study, an expression for the elastic free-energy density…
A model for the limiting surface tension of surfactant solutions (surface tension at and above the critical micelle concentration, cmc) was developed. This model takes advantage of the equilibrium between the surfactant molecules on the…
In this work, we use flow visualization and rheometry techniques to study the dynamics and evolution of secondary flows in a model wormlike micellar solution sheared between concentric cylinders, i.e., in a Taylor-Couette (TC) cell. The…
Wormlike micelles are self-assemblies of polymer chains that can break and recombine reversibly. In this paper, we derive a thermodynamically consistent two species micro-macro model of wormlike micellar solutions by employing an energetic…
Solvation of ions is ubiquitous on our planet. Solvated ions have a profound effect on the behavior of ionic solutions, which is crucial in nature and technology. Experimentally, ions have been classified into "structure makers" or…
Many surfactant-based formulations are utilised in industry as they produce desirable visco-elastic properties at low-concentrations. These properties are due to the presence of worm-like micelles (WLM) and, as a result, understanding the…