N-hydroxy-N,N'-diphenylcinnamamidine (HDPCA) as a new reagent for extractive separation and photometric determination of vanadium(V)

N-hydroxy-N,N′-diphenylcinnamamidine (HDPCA) forms a blue-violet coloured 1:2 complex (metal:ligand) with vanadium(V), which can be quantitatively extracted into chloroform from 1.0–9.5M acetic acid medium. Based on this colour reaction, a sensitive and highly selective method for the spectrophotometric determination of microgram quantities of vanadium(V) has been developed. The complex shows maximum absorption at 570 nm and obeys Beer's law in the vanadium concentration range 0.6–12.5 μg/ml. The method has been applied to alloy steels.     

Universal density functional approach to the calculation of correlation energies of atoms

A new local density functional approach for the calculation of correlation energies of many-electron atomic systems is proposed by using the exact results for the correlation energy of a two-electron system bound by a harmonic oscillator external potential. This is motivated by the fact that the correlation energy is a universal functional of the electron density, and the form of this functional is independent of the external potential. The calculated numerical results for the correlation energies show very good agreement with the standard values reported in the literature. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 62: 461–465, 1997     

Stripped ion–helium atom collision dynamics within a time-dependent quantum fluid density functional theory

A nonperturbative, time-dependent (TD) quantum mechanical approach is described for studying the collision dynamics between the He atom and a fully stripped ion. The method combines quantum fluid dynamics and density functional theory to solve two coupled equations: one for the trajectory of the projectile nucleus and the other for the electronic charge distribution of the target atom. The computed TD and frequency-dependent properties provide detailed features of the collision process. Inelastic and ionization cross sections are also reported. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 67: 251–271, 1998     

Distribution of Pu(VI) from nitric acid to tri-n-butyl phosphate saturated with uranium(VI)

Solvent extraction of plutonium(VI) from nitric acid (1 to 5M) into 20% and 30% TBP in dodecane saturated with uranium(VI) (0% to 80%) has been studied. For a particular nitric acid concentration, the distribution coefficient (K _d ) is found to decrease with the increase in saturation of organic phase with uranium(VI). At a fixed organic phase the saturationK _d increased with increase in nitric acid concentration, however, the magnitude of this increase inK _d decreased with the increase in saturation.     

Non-statistical fluctuations in 16O-AgBr interaction at 60A GeV in terms of factorial correlators

An analysis of ¹⁶O-AgBr interaction data at 60A GeV in terms of factorial correlators is presented. The correlated moments are found to increase with decreasing bin-bin separation D, following a power law within the region D 1. The data are also consistent with the dimension-independent scaling relation proposed by Seixas. Received: 5 October 1998 / Accepted: 20 April 2000     

Modeling of Co-current Spontaneous Imbibition Oil Recovery from Partially Covered Homogeneous Hydrocarbon Reservoir

Transport in Porous Media - In this paper, an approximate integral equation solution for a horizontal, unsteady flow of two viscous incompressible fluids is derived. Wettability variation of the...     

Importance of shattering fragmentation in the surface-induced dissociation of protonated octaglycine

A QM + MM direct chemical dynamics simulation was performed to study collisions of protonated octaglycine, gly₈-H⁺, with the diamond {111} surface at an initial collision energy E _i of 100 eV and incident angle θ _i of 0° and 45°. The semiempirical model AM1 was used for the gly₈-H⁺ intramolecular potential, so that its fragmentation could be studied. Shattering dominates gly₈-H⁺ fragmentation at θ _i = 0°, with 78% of the ions dissociating in this way. At θ _i = 45° shattering is much less important. For θ _i = 0° there are 304 different pathways, many related by their backbone cleavage patterns. For the θ _i = 0° fragmentations, 59% resulted from both a-x and b-y cleavages, while for θ _i = 45° 70% of the fragmentations occurred with only a-x cleavage. For θ _i = 0°, the average percentage energy transfers to the internal degrees of freedom of the ion and the surface, and the energy remaining in ion translation are 45%, 26%, and 29%. For 45° these percentages are 26%, 12%, and 62%. The percentage energy-transfer to ΔE _int for θ _i = 0° is larger than that reported in previous experiments for collisions of des-Arg¹-bradykinin with a diamond surface at the same θ _i . This difference is discussed in terms of differences between the model diamond surface used in the simulations and the diamond surface prepared for the experiments.     

Squeezed “atomic” states,pseudo-Hermitian operators and Wigner D-matrices

The states of N two-level atoms can be mapped onto the eigenvectors of angular momentum (with j=N/2) and this system in interaction with a radiation field constitutes a fundamental model in Quantum Optics. There from one may construct atomic coherent states and minimum uncertainty packets. The squeezing of such states is of considerable contemporary interest. We show that the properties of squeezed atomic states are most elegantly and economically expressed in terms of pseudo-Hermitian operators and through Wigner D-matrices and their analytical continuation.