We present a comprehensive review of methods and applications of molecular simulations
of interfacial systems. We give a detailed overview of the main techniques and major …

The surface of aqueous solutions of simple salts was not the main focus of scientific attention
for a long while. Considerable interest in studying such systems has only emerged in the …

We have performed atomistic MD simulations to investigate structure and hydration
properties of isotactic Poly (methacrylic acid)(i-PMA) at CCl 4–H 2 O interface at different …

Amphiphilic surfactants are changing the surface tension of solutions by adsorbing at their
surfaces. In general, however, little is known about the actual distribution of the surface …

A coarse-grained model for polyethylene glycol (PEG) in water has been developed using a
combination of the iterative Boltzmann inversion (IBI) methodology and a suitable coarse …

We present molecular dynamics simulations of the air–liquid interface for three room
temperature ionic liquids with a common anion: bis (trifluoromethylsulfonyl) imide ([Tf2N]) …

Although a number of experiments have been attempted to investigate the lubrication of
aqueous copolymer lubricant, which is applied widely in metalworking operations, a …

The adsorption layer of five different surfactants, namely, pentanol, octanol, dodecanol,
dodecyl trimethyl ammonium chloride, and sodium dodecyl sulfate, has been analyzed on …

The dynamic adsorption of polymer/surfactant mixtures containing poly (ethylene
oxide)(PEO) with either tetradecyltrimethylammonium bromide (C14TAB) or sodium dodecyl …

We introduce the novel concept of an intrinsic free energy profile, allowing one to remove
the artificial smearing caused by thermal capillary waves, which renders difficulties for the …