Related papers: Incompatible Liquids in Confined Conditions
The dynamics of water in aqueous solutions of three homologous disaccharides, namely trehalose, maltose and sucrose, has been analyzed by means of molecular dynamics simulations in the 0-66 wt % concentration range. The low-frequency…
We investigated the behavior of H$_2$, main constituent of the gas phase in dense clouds, after collision with amorphous solid water (ASW) surfaces, one of the most abundant chemical species of interstellar ices. We developed a general…
The proton dynamics of a 2D water monolayer confined inside a graphene slit pore is studied in Cartesian and molecular frames of reference using molecular dynamics simulations. The vibrational density of states of the proton was calculated…
Water dissociation represents one of the most important reactions in catalysis, essential to the surface and nano sciences [e.g., Hass et al., Science, 1998, 282, 265-268; Brown et al., Science 2001, 294, 67-69; Bikondoa et al., Nature…
Scatterer induced modal coupling and the consequent mode splitting in a whispering gallery mode resonator is demonstrated in aqueous environment. The rate of change in splitting as particles enter the resonator mode volume strongly depends…
Solvothermal synthesis of MoS2 based quantum dots (QDs) and the performance evaluation of bare QDs for the detection of aqueous As (III) oxidative state at room temperature and neutral pH over an extremely wide range (0.1 ppb to 1000 ppb)…
Nanocomposites comprising of high surface area adsorption materials and nanosized transition metals have emerged as a promising strategy for hydrogen storage application due to their inherent ability to store atomic and molecular forms of…
The adsorption of hydrogen at nonpolar GaN(1-100) surfaces and its impact on the electronic and vibrational properties is investigated using surface electron spectroscopy in combination with density functional theory (DFT) calculations. For…
This study of adsorption of normal alkanols at the oil/water interface with x-ray reflectivity and tensiometry demonstrates that the liquid to gas monolayer phase transition at the hexane/water interface is thermodynamically favorable only…
A recent theory suggests that the evaporation kinetics of macromolecular solutions is insensitive to the ambient relative humidity (RH) due to the formation of a `polarisation layer' of solutes at the air-solution interface. We confirm this…
Molecular adsorption on surfaces plays a central role in catalysis, corrosion, desalination, and many other processes of relevance to industry and the natural world. Few adsorption systems are more ubiquitous or of more widespread…
Clean oxide surfaces are generally hydrophilic. Water molecules anchor at undercoordinated surface metal atoms that act as Lewis-acid sites, and they are stabilized by H bonds to undercoordinated surface oxygens. The large unit cell of…
Sorption of gases in micro- and mesoporous materials is typically interpreted on the basis of idealized structural models where real structure effects such as defects and disorder are absent. For covalent organic frameworks (COFs)…
Solvation of small and large clusters are studied by simulation, considering a range of solvent-solute attractive energy strengths. Over a wide range of conditions, both for solvation in the Lennard-Jones liquid and in the SPC model of…
The discovery of the near infrared windows into the Venus deep atmosphere has enabled the use of remote sensing techniques to study the composition of the Venus atmosphere below the clouds. In particular, water vapor absorption lines can be…
A core-softened model of a glass forming fluid is numerically studied in the limit of very low temperatures. The model shows two qualitatively different behaviors depending on the strength of the attraction between particles. For no or low…
To explain reported solar interfacial-evaporation rates from porous materials beyond an apparent 100% efficiency using the thermal evaporation mechanism, many publications hypothesize that intermediate water inside porous materials have a…
Titan has a climate system with similarities to Earth, including the presence of a thick atmosphere made up of several atmospheric layers. As on Earth, Titan's climate is influenced by several factors: the gaseous species making up the…
In the present study, we report our findings on various asphaltenes-water interactions at a high reservoir condition (550 K and 200 bar) and the role of water in asphaltene association during the waterflooding process. Molecular dynamics…
Water-metal interfaces are ubiquitous and play a key role in many chemical processes, from catalysis to corrosion. Whereas water adlayers on atomically flat transition metal surfaces have been investigated in depth, little is known about…