Aerosol OT (AOT) is a commonly used surfactant and charging agent in nonpolar liquids. Properties such as the conductivity of AOT suspensions in nonpolar liquids and the behavior of charged AOT inverse micelles at interfaces have been studied recently, but still little is known about the generation dynamics of charged AOT inverse micelles. In this article, the generation dynamics of charged AOT...

CONSPECTUS: Supramolecular assemblies formed from spontaneous self-assembly of amphiphilic macromolecules are explored as biomimetic architectures and for applications in areas such as sensing, drug delivery, and diagnostics. Macromolecular assemblies are usually preferred, compared with their simpler small molecule counterparts, due to their low critical aggregate concentrations (CAC) and high...

Atmospheric aerosols play a very important role in atmospheric processes and have a major influence on the global climate. In this paper, we report results of a molecular dynamics study on the unique properties of organic-coated water droplets. In particular, we find that, for particles preferring an inverted micelle structure, the lower chain-chain interaction, with increasing radial distance ...

The authors present a computer simulation study of amphiphilic self-assembly performed using a computationally efficient single-site model based on Gay-Berne [J. Chem. Phys. 74, 3316 (1981)] and Lennard-Jones particles. Molecular dynamics simulations of these systems show that free self-assembly of micellar, bilayer, and inverse micelle arrangements can be readily achieved for a single model pa...

In the present study we demonstrate that a bulk inverse micellar cubic phase of Fd3m structure can be obtained by adding a hydrophobic component, such as the food-grade limonene, to the binary system monolinolein/water in a well-defined composition. The Fd3m structure studied in this work had a very slow kinetics of formation, as a consequence of partitioning of water into two types of micelle ...

Free energy of transfer of methylamine, octylamine, methanol, and octanol from water phase to sodium dodecyl sulfate (SDS) micelle has been calculated using thermodynamic integration method combined with molecular dynamics calculations. Together with the results for alkanes obtained in our previous study [K. Fujimoto, N. Yoshii, and S. Okazaki, J. Chem. Phys. 133, 074511 (2010)], the effect of ...

The addition of sterically stabilized colloidal particles to a phase-separating microemulsion leads to dramatic changes in its demixing behavior, especially during the later stages. Our microemulsion is composed of reverse micelles of sodium dodecyl sulfate, pentanol, and water in a dodecane continuous phase which separates into micelle-rich and micelle-poor phases above a lower critical soluti...

All-atom molecular dynamics (MD) simulations were performed to study the effects of different tetraalkylammonium (TAA(+)) counterions, including tetramethylammonium (TMA(+)), tetraethylammonium (TEA(+)), tetrapropylammonium (TPA(+)) and tetrabutylammonium (TBA(+)), on dodecyl sulfate (DS(-)) micelles. Structural properties, such as the radius of gyration (Rg), micelle radius (Rs), micelle size,...