Adsorption of Kryptate Complexes of Alkali Metals in Electrolytes of Different Compositions and in the Presence of 1-Adamantanol

Data on the adsorption of kryptates of alkali metals on a mercury electrode are obtained for the first time by a method of the measurement of the differential capacitance as a function of potential and are compared to one another. Shown is that there takes place a deep mutual relationship between the structure of a complex and the regularities of its adsorption. An assumption is put forth about the possibility of adsorption of a free ligand in solutions of lithium kryptate, which possesses relatively low strength. The co-adsorption of sodium kryptate with 1-adamantanol, which forms a two-dimensional condensed layer, is investigated. Established is that the C vs. E curves, obtained in 1 M Na₂SO₄ at a constant activity of 1-adamantanol and a varying concentration of Kryptofix^R 222, exhibit two distinctly pronounced portions, each of which corresponds to predominant adsorption of one of the surface-active components. The region of predominant adsorption of Kryptofix^R 222 expands with its concentration.     

Some Aspects of the Implementation of Scaling Quantum Mechanical Molecular Force Fields

Some features of software implementation of the Pulay scaling procedure are considered. The advantages of the single value decomposition method for maintaining well-conditionality of the scale factor determination problem are demonstrated. The necessity of using a rational number of scale factors is shown. The possibility of obtaining transferable scale factors with the Pulay method and thus predict the vibrational spectra of related compounds is emphasized.     

Physicochemical and Acoustic Properties of Water-Based Magnetic Colloid

A velocity and absorption coefficient of sound for magnetic fluid (MF) based on water are studied in the frequency range of 12–132 MHz as a function of the concentration of dispersed phase, the uniform magnetic field, the storage time, and the temperature. The MF dispersed phase consist of magnetite Fe₃O₄ particles stabilized with sodium oleate. The parameters of sound propagation are measured within temperature interval 0–80°C. Densities of MF and sodium oleate are also measured as a function of temperature. Volume concentrations of magnetic fluid components (water, magnetite, and sodium oleate adsorbed on the surface of magnetic particles) are determined. Densities, heat capacities, coefficients of heat conductivity and thermal expansion of aggregates are estimated. Aggregate size distribution in the studied magnetic fluid is described by the log-normal function. Parameters characterizing the aggregate size distribution are determined and their interpretation is given.     

Study of the Surface Tension of the Aqueous Solutions of Dodecylamidoethyldimethylbenzylammonium Chloride

The dynamic and equilibrium surface tensions of aqueous dodecylamidoethyldimethylbenzylammonium chloride solutions of various concentrations at 16, 20, 25, 30, and 35°C are studied for the first time. The effects of the concentration and temperature on the surface tension relaxation are discussed. The possibility of two-dimensional phase transition and its effect on the dynamic behavior of surface tension are considered.     

Determination of Hydroxamic Acids by Thermal-Lens Spectrometry

Conditions are determined for the determination of salicylhydroxamic and acetylhydroxamic acids by thermal-lens spectrometry using iron(III) in an aqueous medium. The detection limits are 6 × 10^–8 and 3 × 10^–8 M, respectively. The sensitivity can be enhanced 3–6 times with the use of aqueous–organic media.     

Hydrothermal Synthesis and Characterization of a Novel Two-dimensional Framework Materials Constructed from Polyoxometalate and Coordination Groups: [H_2Mo_(5.5)V_(10.5)O_(40)(PO_4)][Cu(en)_2]_4·7H_2O

IntroductionPolyoxometalatesarewidelystudiedfortheirin terestingapplicationsincatalysis ,electronicconduc tivity ,magnetism ,nonlinearopticsandmedicine[1— 4 ] .Whilethemechanismofthesynthesisofpolyoxometalatesremainselusiveandisoftende scribedasself assembly ,thereseemstobeanincreas inguseofthecombinationofthehydrothermalmethodandthestructure directingtemplate .There searchwiththismethodhasdemonstratedthatanum beroftransitionmetaloxides ,typicallyreducedmolybdenumoxides ,mixedvalancevanadiumo…     

Optimization of Mass Transfer Processes in the Zone of the Air Electrode of a Fuel Cell with a Solid Polymer Electrolyte

A two-dimensional mathematical model for the transport of reactants in a fuel cell with a solid polymer electrolyte is developed. The model is used for analyzing spatial distributions of the concentration of reactants and current density over the cell. The effect of the catalytic-layer activity, reactant speed, bipolar-plate geometry, thickness and porosity of current collector and/or gas-diffusion sublayer, and the reaction mixture composition on the fuel cell efficiency is estimated theoretically and experimentally.     

Cyclic Hypomonotonicity,Cyclic Submonotonicity,and Integration

Rockafellar has shown that the subdifferentials of convex functions are always cyclically monotone operators. Moreover, maximal cyclically monotone operators are necessarily operators of this type, since one can construct explicitly a convex function, which turns out to be unique up to a constant, whose subdifferential gives back the operator. This result is a cornerstone in convex analysis and relates tightly convexity and monotonicity. In this paper, we establish analogous robust results that relate weak convexity notions to corresponding notions of weak monotonicity, provided one deals with locally Lipschitz functions and locally bounded operators. In particular, the subdifferentials of locally Lipschitz functions that are directionally hypomonotone [respectively, directionally submonotone] enjoy also an additional cyclic strengthening of this notion and in fact are maximal under this new property. Moreover, every maximal cyclically hypomonotone [respectively, maximal cyclically submonotone] operator is always the Clarke subdifferential of some directionally weakly convex [respectively, directionally approximately convex] locally Lipschitz function, unique up to a constant, which in finite dimentions is a lower C² function [respectively, a lower C¹ function].     

Generic Well-Posedness of Constrained Variational Problems Without Convexity Assumptions

In our previous work, a generic well-posedness result (with respect to variations of the integrand of the integral functional) without the convexity condition was established for a class of optimal control problems satisfying the Cesari growth condition. In this paper, we extend this generic well-posedness result to classes of constrained variational problems in which the values at the endpoints and constraint maps are also subject to variations.     

Augmented Lagrangian Algorithms Based on the Spectral Projected Gradient Method for Solving Nonlinear Programming Problems

The spectral projected gradient method SPG is an algorithm for large-scale bound-constrained optimization introduced recently by Birgin, Martínez, and Raydan. It is based on the Raydan unconstrained generalization of the Barzilai-Borwein method for quadratics. The SPG algorithm turned out to be surprisingly effective for solving many large-scale minimization problems with box constraints. Therefore, it is natural to test its perfomance for solving the sub-problems that appear in nonlinear programming methods based on augmented Lagrangians. In this work, augmented Lagrangian methods which use SPG as the underlying convex-constraint solver are introduced (ALSPG) and the methods are tested in two sets of problems. First, a meaningful subset of large-scale nonlinearly constrained problems of the CUTE collection is solved and compared with the perfomance of LANCELOT. Second, a family of location problems in the minimax formulation is solved against the package FFSQP.