A model for calculation of reverse osmosis apparatus of the roll type

A model of reverse osmosis apparatus of the roll type is suggested. The model makes it possible to calculate the working area of the membrane, perform sectioning of the apparatus, determine the working pressure in separating units, and find the energy expenditure for the separation process.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 11, 2004, pp. 1844–1846.Original Russian Text Copyright © 2004 by Abonosimov, Lazarev, Gorbachev.     

Water-soluble polymer-colloid complexes of aluminum polyhydroxochloride and polyacrylamide in separation of model and real dispersions

The activity of polymer-colloid complexes of aluminum polyhydroxochloride and polyacrylamide in separation of model kaolin dispersions and some real dispersions was studied under free and hindered particle sedimentation conditions.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 10, 2004, pp. 1699–1706.Original Russian Text Copyright ¢ 2004 by Novakov, S. Radchenko, F. Radchenko.     

Relaxation kinetics of the current of hydrophilic metal dissolution activated by anodic pulses

Relaxation kinetics of the metal dissolution current after pulsed anodic activation are analyzed using a model of spatial separation of the dissolution and passivation of hydrophilic metals. The current rise is contributed to mainly by the formation of new step sources resulting from the desorption of blocking oxygen atoms from vertexes of trihedral pyramids that are formed in excess quantities during the activation pulse.Translated from Elektrokhimiya, Vol. 40, No. 12, 2004, pp. 1487–1493.Original Russian Text Copyright © 2004 by Lazorenko-Manevich, Sokolova.     

The adsorption of amino acids on the surface of highly dispersed silica

The adsorption of arginine, histidine, lysine, and ornithine on the surface of highly dispersed silica from aqueous solutions was studied as a function of pH. The equilibrium constants of the formation of surface complexes were calculated using the Stern model for the electrical double layer. It was shown that the possibility of adsorption of amino acids on the silica surface is determined by the presence of additional basic groups in their molecules.Translated from Kolloidnyi Zhurnal, Vol. 66, No. 6, 2004, pp. 733–738.Original Russian Text Copyright © 2004 by Vlasova, Golovkova.     

Spin Flip Models in the Spin Coupling Method of Many-Particle Amplitudes

A special class of models is presented in which correlation effects for quasidegenerate electronic states are calculated without resorting to complete MRCI schemes. The high-spin reference determinant is transformed into the desired low-spin state by the spin flip procedure with concomitant electron elimination or addition. For the given spin flip process, variational equations that define the corresponding spin coupling matrix have been obtained. For the simplest spin flip model presented by A. Krylova as the SF-CIS method, a sequential spin projection procedure has been carried out. Illustrative calculations for the excited and dissociative states of small molecules have revealed the high quality of the suggested approximate schemes.Original Russian Text Copyright © 2004 by A. V. Luzanov__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 771–782, September–October, 2004.     

A kinetic model of thermochemical transformation of solid organic fuels

A kinetic model of thermochemical transformation of solid organic fuels was constructed. The mathematical model describes the kinetics of drying, release and combustion of volatiles, and combustion and gasification of the nonvolatile (coke) residue at linear heating. The kinetic curves of burn-out of Irsha-Borodino brown coal at various heating rates and model parameters were calculated.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 9, 2004, pp. 1558–1567.Original Russian Text Copyright © 2004 by Boiko, Pachkovskii.     

The role of peroxides in the mechanism of low-temperature autooxidation of methyl oleate and its solutions with lipids

The kinetics of low-temperature autooxidation of methyl oleate for a bimolecular mechanism of the degenerate branched reaction were analyzed taking into account changes in the methyl oleate concentration for different amounts of peroxides formed. This analysis made it possible to explain the experimental data. The role of the initial peroxide concentration in the mechanism and kinetics of the chain degenerate branched reaction of methyl oleate autooxidation was studied in the steady-state approximation and in the course of establishing a steady-state concentration of radicals. A systematic approach to estimating the antioxidant properties of lipids on the basis of the methyl oleate model was proposed.Translated from Kinetika i Kataliz, Vol. 45, No. 6, 2004, pp. 848–858.Original Russian Text Copyright © 2004 by Khrustova, Shishkina.     

Advances in the synthesis of neonicotinoids

The review discusses methods of synthesis of neonicotinoids which constitute a new group of insecticides structurally related to nicotine and acting as insect acetylcholine receptor agonists.__________Translated from Zhurnal Organicheskoi Khimii, Vol. 40, No. 12, 2004, pp. 1759–1775.Original Russian Text Copyright © 2004 by Kovganko, Kashkan.     

Determination of the deuterium content in organic compounds by gas chromatography

A gas-chromatographic method was developed for determining deuterium in organic compounds at its atomic fraction of 1 to 99%. The accuracy of the method is 0.1–0.5%.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 8, 2004, pp. 1346–1350.Original Russian Text Copyright © 2004 by Egorov, Matyukhova, Demidova, Platonov, Proskuryakov.     

Effect of ozone on the corrosion of metals in an acid medium

The corrosion-electrochemical behavior of steels and metals in sulfuric, hydrochloric, and acetic acids in the presence of ozone was studied.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 11, 2004, pp. 1819–1825.Original Russian Text Copyright © 2004 by Tatarchenko.     

Development of the specific surface areas of natural coal in the course of thermolysis in the presence of potassium hydroxide

The development of the surface of natural coal from Donets field in the course of thermolysis with KOH was studied. The dependences of the specific surface area of coal containing 90% carbon on the activation time, temperature (400–800°C), and KOH/coal ratio (0.75–4.5 g g^–1) were determined. The effect exerted on the development of the porous coal structure by low-temperature (20±2°C) oxidative modification causing formation of oxygen functional groups and reorganization of the coal three-dimensional structure was studied.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 9, 2004, pp. 1452–1455.Original Russian Text Copyright © 2004 by Tamarkina, Kucherenko, Shendrik.     

Effect of charge on the standard partial molar volumes and heat capacities of organic electrolytes in methanol and water

Previously developed additivity schemes for nonelectrolytes have been used to estimate and for tetraalkyl and tetraphenyl methanes in methanol and water. Corrections have been applied to the thermodynamic values of these model compounds to account for a variation in size of the central atom, and these were used to ascertain the effect of charge on and of alkyl and phenyl quaternary ions having N, P and B as central atoms. Investigations of R₄NBr, (R=methyl to heptyl) salts show that the charge effect on and of R₄N⁺ ions is large and relatively independent of ion size suggesting that the solvent molecules penetrate the ions. The ability to estimate and of the quaternary ions in the bromide salt solutions has made it possible to make ionic assignments with some confidence; (Br^–) has been evaluated as 19.7±2 and 30.2±7 cm³-mol^–1 and (Br^–) as –83±7 and –68±30 J-K^–1-mol^–1 in methanol and water, respectively. The use of organic ions for making ionic assignments of and is critically examined and comparisons with other assignments are made. The scaled particle theory is employed to divide the heat capacities of electrolytes into cavity and interaction contributions.     

Mass spectrometry in the structural analysis of flavonoids

The original article to which this Erratum refers was published in J. Mass Spectrom. 2004; 39 (1): 1–15. DOI:10.1002/jms.585. Copyright © 2004 John Wiley & Sons, Ltd.     

Influence of packing of the reactants and products in solution on the volume parameters of the Diels-Alder reaction

The possible causes of a dramatic difference in the volume parameters (by up to 15–20 cm³ mol^–1) of the Diels-Alder reactions involving bulky and small reactants are discussed. The partial molar volumes of anthracene and 9,10-dihydroanthracene and the heats of their solution in six solvents were determined.Translated from Zhurnal Obshchei Khimii, Vol. 74, No. 10, 2004, pp. 1674–1680.Original Russian Text Copyright © 2004 by Kiselev, Kashaeva, Potapova, Shikhab, Konovalov.This revised version was published online in April 2005 with a corrected cover date.     

Computer simulation of molecular complexes H<Subscript>3</Subscript>O<Superscript>+</Superscript>(H<Subscript>2</Subscript>O)<Subscript>n</Subscript> under conditions of thermal fluctuations: I. Interactions in the system

The simplest pair model of intermolecular interactions fails to reproduce known experimental free energy and entropy of hydration of H₃O⁺ ions in water vapor. A fit to experiment is attained only when covalent bonds and nonpair interactions, which are of particular importance at contact distances from the ion, are taken into account. An interaction model was constructed, which allows the experimental free energies of cluster formation to be reproduced to fractions of k _B T by the Monte-Carlo method. Numerical values of interaction parameters were obtained by fitting simulated results to refined experimental data.Translated from Zhurnal Obshchei Khimii, Vol. 74, No. 9, 2004, pp. 1409–1417.Original Russian Text Copyright © 2004 by Shevkunov.This revised version was published online in April 2005 with a corrected cover date.     

Mechanism and products of thermal treatment of slimes obtained at treatment of wastewaters using ferroferrihydrosol

Phase, dispersion, and chemical compositions of the products of thermal treatment of slimes obtained by treatment of model solutions and industrial wastewaters from electrochemical production using ferroferrihydrosol were studied. The dependence of the phase composition of the slime treatment products as influenced by the content and ratio of heavy metals in wastewaters was evaluated.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 9, 2004, pp. 1520–1524.Original Russian Text Copyright © 2004 by Budilovskis, Eshchenko.     

Mass dissolution of polydisperse set of particles in a flow system

A mathematical model of continuous dissolution of salts based on a dynamic equation for crystal size distribution function was considered. A stationary solution was obtained by the moments method. For a nonstationary state, an evolution equation for the undersaturation of solution was derived. An approximate analytical method of solving this equation, which is in good agreement with the numerical solution, was proposed. The notion of the coefficient of continuous dissolution efficiency was introduced and analytical expressions for this value were obtained. The stability of the stationary solution was analyzed.Translated from Kolloidnyi Zhurnal, Vol. 66, No. 6, 2004, pp. 793–801.Original Russian Text Copyright © 2004 by Moshinskii.     

Binding of protein to polystyrene particles in the presence of polyvinylpyrrolidone in the surface layer

Adsorption and chemisorption of bovine serum albumin on polystyrene particles obtained by dispersion polymerization and containing graft polystyrene/polyvinylpyrrolidone copolymers and carboxy groups of the initiator in the surface layer were studied.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 12, 2004, pp. 2036–2041.Original Russian Text Copyright © 2004 by Menshikova, Skurkis, Evseeva, Shkarubskaya, Tennikova, Ivanchev.     

Preferential solvation in three component systems: Evaluation of Kirkwood-Buff parameters

The extent of local excess or deficiency of a component solvent near the solute in a mixed binary solvent has been calculated using the Hall formalism for the Kirkwood-Buff equation. The possibility of calculation of the two solute-solvent Kirkwood-Buff parameters using the values is discussed. A model calculation using literature data for preferential solvation in mixed binary solvents is presented. The solute-solvent and solvent-solvent interactions and the relative size of the solvents are also shown to be relevant factors in determining the values.     

Variation of the parameters of inhibited oxidation of polyethylene in the region of phase transition

Parameters of oxidation of polyethylene with molecular oxygen in the presence of a phenolic antioxidant, 2,2-methylenebis(4-methyl-6-methylcyclohexylphenol), at 80–210°C were studied. The possible mechanism of interaction of the polymer with the antioxidant near the melting point was considered theoretically. The suggested theoretical relationships are consistent with experimental data.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 8, 2004, pp. 1378–1381.Original Russian Text Copyright © 2004 by Shlyapnikov, Kolesnikova.