Microclusters as superatoms for developing new materials

With the discovery of solid C₆₀, efforts are being made to develop new clusters and molecules which could be assembled to form new materials. Here we present some recent developments in this direction and discuss bonding in such materials.     

Surface structure of silver thin films on In2O3:Sn and Al2O 3 †

Surface structure of thin silver films (200 Å) on two technologically important films, indium tin oxide (ITO) and aluminium oxide, has been studied using scanning tunneling microscope. ITO films were prepared by reactive electron beam evaporation. Aluminium oxide films were prepared by oxidizing 2000 Å thick aluminium films evaporated on to H₂ terminated single crystal silicon substrates. The surface structure of silver on ITO and aluminium oxide appeared to be same and was characteristic of Stranski-Krastanov type. The observed asymmetry in the island shape was attributed to the anisotropic nature of the strain fields surrounding the nucleation centres.     

Appearance of homogeneous smectic multilamellar microenvironments in biomembranes undergoing superoxide-initiated lipid peroxidation: lipid-dienyl radical accumulation and fluidity management in lipid bilayers

Erythrocyte ghosts were exposed to various levels of oxyradical shock in order to identify the extent of accumulation of peroxidative intermediates. Malondialdehyde reacting end products were the same in all different models. But, the accumulation of dienyl radical species increased with higher intensity of oxyradical shock. These dienyl radicals may rearrange to create a homogeneous smectic multilamellar microenvironment which may be more fluid in terms of the molecular dynamics.     

Phase equilibria of crude oils using the continuous thermodynamics approach

This paper deals with the application of continuous thermodynamics to light and heavy oil systems using the Peng- Robinson equation of state. The composition of the high molar mass components in a reservoir oil is described by a continuous distribution function of some characterizing quantity, e.g. molar mass or boiling temperature. Numerical Gaussian quadrature methods are used to generate pseudo-components and their mole fractions from distribution data. Several examples are presented for phase equilibria of solvent/crude oil systems. The results showed that semi-infinite distribution functions, such as the Γ function, cannot be applied to all cases, e.g. dew point calculations. The Gauss- Legendre quadrature method coupled with spline fitting worked best for heavy oil systems.     

Micro-stress distribution within polycrystalline aggregate

Summary The three-dimensional Poisson-Voronoi model, which is topologically equivalent to the microstructure of real ceramics and metals, has been used to study the stress distribution within a simulated polycrystalline aggregate having 200 grains. Micro-stresses such as the maximum principal stress, maximum shear stress, first invariant of stress, and Von-Mises stress are found to vary systematically with the anisotropy of single crystal.     

Kinetics and mechanism of oligomerization of cardanol using acid catalysts

The kinetics and mechanism of oligomerization of cardanol over acid catalysts were studied. GPC results showed the formation of a mixture of oligomers such as dimer, trimer, tetramer, etc. IR spectra of the products of oligomerization showed a decrease in the intensity of the double bond absorption band at 1630 cm^?1 and the disappearance of terminal vinyl bands at 895 cm^?1 and 907 cm^?1. ¹H NMR spectra showed drastic changes in the unsaturated proton resonance signals at 5.5δ with respect to saturated protons at 0.2–2.5δ. The ratio of resonance integrals of unsaturated to saturated protons decreased from 1 : 6.5 to 1 : 20 after oligomerization. GPC studies showed that the rate of formation of the dimer, trimer, tetramer, etc. follow an identical path and that the individual oligomers are formed in the same weight percentage at any time during the reaction. A kinetic scheme is proposed to explain this phenomenon. Kinetic studies showed that the oligomerization reaction follows first order kinetics with respect to the monomer concentration and the rate constant is K = 6.6 × 10^?5s^?1. A probable mechanism for the oligomerization of cardanol is proposed.