We present extensive ab initio simulations of the molecular arrangements at the vapor/water interface, which provide valuable insights into the interface structure. In particular, the simulations address the controversy of whether there is a significant amount of nondonor configurations at this prototypical interface, using a novel Car-Parrinello-like ab initio molecular dynamics approach. The ...

Several experimental evidences differentiating an insoluble monomolecular film just on the air/ water interface from an adsorbed film of soluble amphiphile solution are presented in order to suggest that the adsorbed film is not located at the air/solution interface. The difference between the two films can be observed by evaporation rates of water across the air/solution interface of three kin...

We present a methodology to quantitatively determine the fraction of sodium dodecyl sulfate (SDS) that partitions to the oil/water interface in oil-in-water macroemulsions and calculate the total interfacial area (TIA) through the novel use of filtration through nanoporous membranes. Ultrafiltration was carried out in centrifuge tubes having nanoporous filters with a 30,000 molecular weight cut...

The study investigates the unit cell structure of inverted hexagonal (H(II)) mesophase composed of monoolein (1-monoolein, GMO) and water using atomistic molecular dynamics methods without imposing any restraints on lipid and water molecules. Statistically meaningful and very contrast images of the radial mass density distribution, scrutinizing also the separate components water, monoolein, the...

We describe the synthesis of a diphenylglycoluril/dibenzo-crown-6 molecular chalice, the self-assembly at the air/water interface and its complexation properties in solution and at the water/chloroform interface.

Direct spectroscopic evidence of the presence of organic phenolate ions at the air/aqueous interface has been established using the nonlinear spectroscopic technique of vibrational sum frequency generation (SFG). By probing the phenol C–OH and the phenolate C–O vibrational stretches, which occur in the range of 1200–1300 cm and are distinguishable, we have succeeded in determining the identitie...

The dynamics of hydrated electrons at the water/air interface are investigated using time-resolved second-harmonic generation spectroscopy. Initial solvation occurs in approximately 1 ps, and the electron remains at the interface for >750 ps. The location of the electron relative to the dividing surface is investigated using surfactants, which show that the electron is hydrated in the interfaci...

Water at the interface is often the main cause of corro. sion, blistering, and disbandment of organic coating/substrate systems. Consequently, the transport of water from the environment to the coating/substrate interface is the subject of great interest in many industries such as organic coatings, asphalt pavements, and electronic packaging. There is no suitable method available to measure the...

We study the free boundary evolution between two irrotational, incompressible and inviscid fluids in 2-D without surface tension. We prove local-existence in Sobolev spaces when, initially, the difference of the gradients of the pressure in the normal direction has the proper sign, an assumption which is also known as the Rayleigh-Taylor condition. The well-posedness of the full water wave prob...