Selected valence electron split-shell molecular orbital calculations on the diatomic interhalogen molecules

Selected valence electron split-shell molecular orbital calculations have been performed on the diatomic interhalogen molecules in order to obtain their binding energies, equilibrium internuclear distances, vibrational force constants, dipole moments and nuclear quadrupole coupling constants. The results are compared with the corresponding closedshell values and with those of some previous semiempirical and nonempirical all valence electron calculations. It is observed that the selected valence electron split-shell molecular orbital method which involves the least amount of computations yields results in better agreement with experiment than other methods.     

Semiquantitative determination of thiourea,thiocyanate, and sulfide by circular thin layer chromatography

Summary A method for semiquantitative determination of thiourea, thiocyanate, and sulfide is described. It involves making circular spots or rings on chromatoplates using the circular thin layer Chromatographic apparatus. The method is based on sensitivity and specificity of spot reactions and comparison of the color intensity of a circular spot with that of sensitivity standards. The accuracy of the method is ± 5% and the procedure is rapid, simple and economical.

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Zusammenfassung Ein Verfahren zur halbquantitativen Bestimmung von Thioharnstoff, Thiocyanat und Sulfid wurde beschrieben. Es beruht auf der chromatographischen Herstellung kreisförmiger Flecken oder Ringe auf Dünnschichtplatten. Mit empfindlichen und spezifischen Tüpfelreaktionen wurden die Flecken gefärbt und die Farbintensität mit Standardproben verglichen. Die Genauigkeit beträgt ± 5%.

     

Selective adsorption of thorium on activated charcoal from electrolytic aqueous solution

The adsorption of thorium on activated charcoal has been studied as a function of shaking time, amount of adsorbent, pH, concentration of adsorbate and temperature. Adsorption of thorium obeys the Langmuir isotherm. H⁰ and S⁰ were calculated from the slope and intercept of ln K_D vs. 1/T plots. The influence of different anions and cations on thorium adsorption has been examined. The adsorption of other metal ions on activated charcoal has been studied under specified conditions to check its selectivity. Consequently, thorium was removed from Cs, Co, Ba, Cr, Sr, Cd, Cu, Mn and Zn. More than 98% adsorbed thorium on activated charcoal can be recovered with 55 ml 3M HNO₃ solution. Wavelength dispersive X-rays fluorescence spectrometer was used for measuring thorium concentration.     

Adsorption of gadolinium on activated charcoal from electrolytic aqueous solution

Adsoprtion of gadolinium on activated charcoal has been studied as a function of shaking time, pH, concentration of adsorbate and temperature. Gadolinium adsorption obeys the Langmuir isotherm. H^o and S^o were calculated from the slope and intercept of the In K_D 1/T plot. The influence of different cations and anions on gadolinium adsorption has been examined. The adsorption of other metal ions on activated charcoal has been studied under optimum conditions to check the selectivity of gadolinium adsorption. Consequently, gadolinium was removed from Ni, V, Zn, Cu, Rb, Sr and Mn. More than 97% of the adsorbed gadolinium on activated charcoal can be recovered with 35 ml of 3M HNO₃ solution. Wavelength dispersive X-ray fluorescence spectrometer was used for measuring gadolinium concentration.     

Removal of oxygen from silicon by electron beam melting

Small amounts of multicrystalline silicon were melted in an electron beam furnace in different experimental conditions in order to investigate the oxygen evaporation behavior during the electron beam melting (EBM) process. The oxygen content level before and after EBM was determined by secondary ion mass spectroscopy. The oxygen content was reduced from 6.177 to 1.629 ppmw when silicon was melted completely at 15 kW with removal efficiency up to 73.6 %. After that, it decreased continually to <0.0517 ppmw when the refining time exceeded 600 s with a removal efficiency of more than 99.08 %. During the melting process, the evaporation rate of silicon is 1.10 × 10^?5 kg/s. The loss of silicon could be reduced up to 1.7 % during oxygen removal process to a desirable figure, indicating EBM is an effective method to remove oxygen from silicon and decrease the loss of silicon.     

Split-shell molecular orbital calculations on the diatomic alkali metal molecules

Absolute g-tensor calculations for planar hydrocarbon and for non-planar phenyl substituted hydrocarbon radicals are reported. The relevant interactions determining g are discussed. Calculations are performed on the basis of a second-order perturbation expansion. The electronic wavefunctions are obtained from a simplified version of Hoffmann's extended Hückel model (SEH), where all valence electrons are taken into account explicitly. For planar systems the observed linear dependence of g on the energy of the half filled π orbital is well reproduced. A qualitative analysis of this dependence, making restrictive assumptions about the σ electrons, was given earlier by Stone. The calculations for non-planar model systems reproduce the g-factor anomalies which are observed for highly twisted phenyl substituted hydrocarbon radicals. The results show the necessity of direct π-σ mixing and are consistent with recent investigations of the proton hyperfine couplings in such systems.     

Metamaterial absorber based on circular ring structure with and without copper lines

This paper presents the analysis of circular ring metamaterial absorber with the existing of copper lines. The structure is designed using lossy FR4 substrate with thin copper layers. The circular ring shape with copper lines is printed on the top surface of FR4 substrate, while at the bottom surface is printed with full copper ground plane. Parametric study is done to investigate the effect of copper lines on the resonance frequency. From the simulation, the circular ring metamaterial absorber with vertical copper lines can resonates at lower frequency, but this structure is polarized sensitive. This drawback can be improved by adding horizontal copper lines together with the vertical copper lines. The circular ring structure with vertical and horizontal copper lines is not only polarization insensitive, but it can works at wide operating angle of incident waves.