Structural transition in alcohol-water binary mixtures: A spectroscopic study

The strengthening of the hydrogen bonding (H-bond) network as well as transition from the tetrahedral-like water network to the zigzag chain structure of alcohol upon increasing the alcohol concentration in ethanol-water and tertiary butanol (TBA) — water mixtures have been studied by using both steady state and time resolved spectroscopy. Absorption and emission characteristics of coumarin 153 (C153), a widely used non-reactive solvation probe, have been monitored to investigate the structural transition in these binary mixtures. The effects of the hydrogen bond (H-bond) network with alcohol concentration are revealed by a minimum in the peak frequency of the absorption spectrum of C153 which occur at alcohol mole fraction ∼0·10 for water-ethanol and at ∼0·04 for water-TBA mixtures. These are the mole fractions around which several thermodynamic properties of these mixtures show anomalous change due to the enhancement of H-bonding network. While the strengthening of H-bond network is revealed by the absorption spectra, the emission characteristics show the typical non-ideal alcohol mole fraction dependence at all concentrations. The time resolved anisotropy decay of C153 has been found to be bi-exponential at all alcohol mole fractions. The sharp change in slopes of average rotational correlation time with alcohol mole fraction indicates the structural transition in the environment around the rotating solute. The changes in slopes occur at mole fraction ∼0·10 for TBA-water and at ∼0·2 for ethanol-water mixtures, which are believed to reflect alcohol mole fraction induced structural changes in these alcohol-water binary mixtures.     

Velocity and concentration profiles in uniform sediment-laden flow

This paper presents a theoretical model for computing the velocity and sediment concentration profiles in a uniform sediment-laden flow carrying all fine, medium and coarse sediments. The proposed model essentially includes the effect of sediment concentration in total turbulent shear stress and eddy diffusivity in addition to the modified mixing length derived by Umeyama and Gerritsen [J. Hydr. Engng., ASCE, 118 (2) (1992) 229–245] applied to Hunt’s diffusion equation. Numerical solution of coupled differential equations for velocity and sediment concentration is carried out. The theoretical results show quite good agreement with the experimental data.     

Exponential correlated basis in Schwinger variational principle for positronium formation in hydrogen

An exponential correlated basis set is tested within the framework of multi-channel Schwinger variational principle in the momentum space. It is found that inclusion of only the positron-electron correlation in the basis set is enough to obtain accurate results for all significant partial waves for ground state positronium formation in positron-hydrogen collisions at low and intermediate energies (6.856–75 eV). Results are in conformity with other accurate variational and non-variational calculations as well as observed data available in the literature.     

Synthesis of nano and micro crystals of Cd(OH)2 and CdO in the shape of hexagonal sheets and rods

Cd(OH)₂ and CdO nano/micro crystals were synthesized in ethanol-water medium using cadmium foil as a source under solvothermal condition. The experimental parameters such as ratio of ethanol to water, concentration of NaOH and synthesis temperature all play important role in determining the size, shape and crystalline phase of the products. The products were characterized by X-ray diffraction and scanning electron microscopy. Nano/micro crystals of CdO were also achieved by thermal treatment of Cd(OH)₂ crystals in air at different temperatures.     

Preservation of network degree distributions from non-uniform failures

There has been a considerable amount of interest in recent years on the robustness of networks to failures. Many previous studies have concentrated on the effects of node and edge removals on the connectivity structure of a static network; the networks are considered to be static in the sense that no compensatory measures are allowed for recovery of the original structure. Real world networks such as the world wide web, however, are not static and experience a considerable amount of turnover, where nodes and edges are both added and deleted. Considering degree-based node removals, we examine the possibility of preserving networks from these types of disruptions. We recover the original degree distribution by allowing the network to react to the attack by introducing new nodes and attaching their edges via specially tailored schemes. We focus particularly on the case of non-uniform failures, a subject that has received little attention in the context of evolving networks. Using a combination of analytical techniques and numerical simulations, we demonstrate how to preserve the exact degree distribution of the studied networks from various forms of attack.     

On the possibility of isolating diazirine N-oxides

Ab initio molecular orbital calculations at the 6-31G level predict that diazirine N-oxide is more stable with respect to its constituent fragments, singlet CH₂ and N₂O₂, than diazirine is with respect to singlet CH₂ and N₂. In view of these results and the many diazirines which have been reported, it is suggested that it may be possible to detect a suitably substituted diazirine N-oxide.     

On the effective electron mass in quantum well wires of ternary chalcopyrite semiconductors

Summary An attempt is made to study effective electron mass in quantum well wires of ternary chalcopyrite semiconductors by formulating a new 1D dispersion relation, within the framework of thek·p formalism considering the anisotropies in the band parameters. It is found, taking quantum well wires ofn-CdGeAs₂ as an example, that the effective Fermi level mass depends on the subband index due to the combined influence of crystal-field splitting parameter and the anisotropic spinorbit splitting parameters, respectively. The masses increase with increasing carrier degeneracy and decreasing film thickness, respectively. In addition, the well-known results for the corresponding parabolic energy bands have been derived as special cases of the generalized formulations.     

On the Hulburt-Hirschfelder potential function for the Ar2 molecule

The modified Morse potential function known as the Hulburt-Hirschfelder function has been used for the Ar₂ molecule using experimental values for the spectroscopic constants. The consistency of this potential is checked by recalculating the vibrational levels using Cashion's method. The results are satisfactory. The potential may be useful for calculating the anharmonic properties of crystalline argon.