In this work, we incorporated a quartic bond potential into a coarse-grained bead-spring model to study lubricant adsorption on a solid surface as well as depletion instability. The surface tension density and the number density profiles were examined to verify the solid-liquid and liquid-vapor interfaces during heat treatment. It was found that both the liquid-vapor interfacial thickness and t...

The adsorption of piperidine vapor on the hydrated alumina (alpha-Al2O3, corundum) (0001) surface was investigated using vibrational broad bandwidth and scanning sum frequency generation (SFG) spectroscopy. The interfacial vibrational signature in the C-H stretching region of piperidine at the alumina (0001) surface is shown to be a sensitive spectroscopic probe revealing the adsorption mechani...

Molecules adsorbed in pores cause elastic deformations of the solid matrix leading to either contraction or swelling of the material. Although experimental manifestation of adsorption-induced deformation in clays, coals, carbons, silicas, and other materials has been known for a long time, a rigorous theoretical description of this phenomenon is lacking. We report the nonlocal density functiona...

We have developed a QCM (Quartz Crystal Microbalance) based method for direct gravimetric determination of water adsorption on PuO2 surrogate surfaces, especially CeO2, under conditions representative of those in a typical PuO2 storage can. In this application, the method of transduction of the QCM relies upon the linear relationship between the resonant frequency of piezoelectrically active qu...

Abstract The adsorption excess isotherms of ethanol–water and propanol–water mixtures are studied on a series carbon molecular sieves with well-separated micro- mesoporosity at 298.15 K. preferential one component from mixture is measured by using vibration densitometry for the concentration analysis. Microcalorimetrically enthalpies, which released upon immersion materials in binary mixtures, ...

Dimethylsilanediol is a stable crystalline solid that was described in 1953. As the monomer of an important class of commercial products (poly(dimethylsiloxanes)-silicones, PDMS) and as a simple molecule in its own right (the silicon analog of acetone hydrate), it has been neglected by several fields of fundamental and applied research including the hydrophobization of inorganic oxide surfaces....