Gel routes to environmental catalysts

Various methods for the preparation of metal oxide catalysts for environmental control purposes are described. These include coprecipitation, sol-gel, and impregnation, and are used to prepare mixed oxide catalysts of the types SnO₂-MO₂ (M=Ce or Zr), SnO₂-Ln₂O₃ (Ln = lanthanide), Ln-doped CeO₂, Cr (VI)-doped SnO₂, and Cu(II)-doped SnO₂. The aggregation in stable colloidal sols of SnO₂, CeO₂ and ZrO₂ is dependent on the concentration of the metal oxide. Techniques for the characterisation of these catalyst materials include gas adsorption, X-ray diffraction, and TEM/EDXA.     

Rotational and vibrational temperatures of naphthalene in a naphthalene-argon supersonic jet

In the $\text{A}$¹B_2u-$\text{X}$¹A_g system of naphthalene in a supersonic jet, rotational contour calculations show rotational temperatures of 2–60 K for argon carrier gas pressures of 1520-120 Torr. The b_1u vibration v₂₄ shows a high vibrational temperature which corresponds to the seeding temperature for pressures <400 Torr.     

An overview of laboratory performance studies conducted by the IAEA for marine pollution studies of metals and organic contaminants

Aspects of the International Atomic Energy Agency (IAEA) Analytical Quality Control Services (AQCS) for marine environmental studies are discussed, focusing on recent laboratory performance studies (LPS) and the production of reference materials for trace metals and organic compounds in various marine matrices. The IAEA has organized seventeen global interlaboratory studies for a range of organic contaminants. Of note has been the inclusion of numerous polychlorinated biphenyl congeners (PCBs) and some sterols of anthropogenic origin. Concurrently, there have been eleven worldwide intercomparison exercises for trace metals in the marine environment, most of which included methylmercury. Although such interlaboratory studies can help improve performance in individual laboratories and regional laboratory networks, the results reveal that problems remain in the determination of some metals and many organic contaminants.     

CuSO<Subscript>4</Subscript> as a Mild,Green, and Efficient Catalyst for the One-pot Conversion of <Emphasis Type="Italic">THP</Emphasis> Ethers to Acetates

Summary. An efficient direct conversion of THP ethers into the corresponding acetates was achieved with acetic anhydride in the presence of CuSO₄ · 5H₂O as an available and green catalyst in high yields.     

Fenugreek mucilage as a flocculating agent for sewage treatment

The use of fenugreek mucilage, a natural polysaccharide and a direct food additive, as a flocculating agent for removal of suspended and dissolved solids from sewage effluent has been reported. A flocculation study has been done by the standard jar test method. The percent removal of suspended solid (SS) and dissolved solid (TDS) was determined by varying the polymer dose, pH and contact time. X-ray diffraction patterns of the solid waste material of mucilage and flocs (so obtained after treatment) were used to suggest the incorporation of the crystalline waste material in the mucilage. The optimal mucilage concentration was found to be 0.16 mg/l. The suitable pH range for maximum solid removal (SS and TDS) was alkaline and the time required for treatment was 1-3 h.     

Evaluation of measurement uncertainty for analytical procedures using a linear calibration function

In the EURACHEM/CITAC draft ”Quantifying uncertainty in analytical measurement” estimations of measurement uncertainty in analytical results for linear calibration are given. In this work these estimations are compared, i.e. the uncertainty deduced from repeated observations of the sample vs. the uncertainty deduced from the standard residual deviation of the regression. As a result of this study it is shown that an uncertainty estimation based on repeated observations can give more realistic values if the condition of variance homogeneity is not correctly fulfilled in the calibration range. The complete calculation of measurement uncertainty including assessment of trueness is represented by an example concerning the determination of zinc in sediment samples using ICP-atomic emission spectrometry. Received: 9 February 2002 Accepted: 17 April 2002     

An algorithm for semi-empirical design of nucleation rate surface

During the last half of century, Classical Nucleation Theory (CNT) has been developed and there have been advances in the molecular theory of nucleation. Most of these efforts have been directed towards small molecule system modeling using intermolecular potentials. Summarizing the nucleation theory, it can be concluded that the current theory is far from complete. Agreement is generally not obtained between experimental and theoretical results. In practical applications, parametric theories can be used for the systems of interest. However, experimental measurements are still the best source of information on nucleation. Experiments are labor intensive and costly, and thus, it is useful to extend the value of limited experimental measurements to a broader range of nucleation conditions. The available nucleation parameters represent only small regions of possible nucleation conditions over the range from the critical temperature to absolute zero. Thus, it is useful to develop better tools to use the data to estimate semi-empirical nucleation rate surfaces. Following our published approach, the nucleation rate surface for any system can be constructed over its phase diagram. This concept involves using the phase equilibrium diagram to establish lines of zero nucleation rates. Nucleation rate surfaces arise from equilibrium lines and their extensions that are representing unstable equilibria. Only limited experimental data is available for use in normalizing the slopes of the linearized nucleation rate surfaces. The nucleation rate surface is described in terms of steady-state nucleation rates. To design the surfaces of nucleation rates, several assumptions are presented. In the present study, an algorithm for the semi-empirical design of nucleation rate surfaces is introduced. The topology of the nucleation rate surface for a unary system using the example of water vapor nucleation is created semi-empirically. The nucleation of two concurrent (stable and unstable) phase states of critical embryos is considered in the context of multi-surface nucleation rates. Only one phase transition (melting) in the condensed state of water is considered for simplicity. The nucleation rate surface is constructed numerically using the available experimental results for vapor nucleation and phase diagram for water. The nucleation rate for water vapor is developed for the full temperature interval, i.e. from critical point to absolute zero. The results help to suggest a new direction for experimental nucleation research.     

An expeditious,solvent-free synthesis of some 5-aryl-2-(2-hydroxyphenyl)-1,3,4-oxadiazoles

An efficient, rapid, microwave-accelerated one-step synthesis of some 5-aryl-2-(2-hydroxy-phenyl)-1,3,4-oxadiazoles by reaction of salicylic hydrazide with carboxylic acids in the presence of thionyl chloride under neat conditions is described. __________ Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 8, pp. 1264–1267, August, 2007.     

Relativistic calculations on the ground and excited states of AgH and AuH in cylindrical harmonic confinement

The relativistic ground and low-lying excited state potential energy curves of AgH and AuH in the presence of a cylindrical harmonic confining potential were calculated using the multi-state multi-reference perturbation theory with the spin-free no-pair Hamiltonian obtained via the third-order Douglas–Kroll transformation, incorporated with the full two-electron Breit–Pauli spin–orbit operator. The spectroscopic parameters were obtained for both the scalar- and quasi-relativistic potentials. The spin–orbit coupling constants were calculated for several strengths of the confining potential, and the effects of the applied potential on the coupling constants were analyzed using configuration interaction. This paper is dedicated to Serafín Fraga—colleague, mentor, and friend.     

Drag on two nonuniformly structured flocs moving along the axis of a cylindrical tube

The boundary effect on the drag on two identical, nonuniformly structured flocs moving along the axis of a cylindrical tube filled with a Newtonian fluid is investigated at a small to medium larger Reynolds number. A two-layer model is adopted to simulate various possible structures of a floc, and the flow field inside is described by Darcy–Brinkman model. The results of numerical simulation reveal that a convective flow is present in the rear region of a floc when Reynolds number is on the order of 40. The presence of the tube wall and/or the porous structure of a floc has the effect of reducing that convective flow. For a fixed level of the volume-average permeability of a floc, the influence of the tube wall on the drag depends upon floc structure; the influence on a nonuniformly structured floc is more significant than that on a uniformly structured floc. The more nonuniform the floc structure, the more appreciable the deviation of the drag coefficient–Reynolds number curve from a Stokes’-law-like relation becomes. The smaller the volume-average permeability of a floc and/or the smaller the separation distance between the two flocs, the greater is the deviation, but the presence of the tube wall has the effect of reducing that deviation.