Thermodynamic properties of the ternary system {yNH4Cl + (1 − y)MgCl2} (aq) at 298.15 K

The mixture {yNH₄Cl + (1 − y)MgCl₂} (aq) has been studied using the hygrometric method at the temperature 298.15 K. The water activities are measured at total molalities from 0.30 mol kg⁻¹ up to saturation for different ionic strength fractions y of NH₄Cl with y = 0.20, 0.50 and 0.80. The obtained data allow the deduction of osmotic coefficients. Experimental results are compared with the calculations using the models of Zdanovskii–Stokes–Robinson, Kusik and Meissner, Robinson and Stokes, Lietzke and Stoughton, Reilly–Wood and Robinson and Pitzer. Thermodynamic properties have been modeled using the Pitzer ion-interaction model with inclusion of an ionic strength dependence of the third virial coefficient for the binary systems. From these measurements and the obtained binary parameters β⁽⁰⁾, β⁽¹⁾, C⁽⁰⁾ and C⁽¹⁾, the mixing ionic parameters θNH₄Mg${\theta }_{\text{N}{\text{H}}_4\text{Mg}}$ and ψNH₄MgCl${\psi }_{\text{N}{\text{H}}_4\text{MgCl}}$ are determined by the standard Pitzer model. The results show that a good accuracy is obtained with the standard Pitzer model using extended binary parameters. The parameters θNH₄Mg${\theta }_{\text{N}{\text{H}}_4\text{Mg}}$ and ψNH₄MgCl${\psi }_{\text{N}{\text{H}}_4\text{MgCl}}$ were used for evaluation of activity coefficients in the mixture. The excess Gibbs energy is also determined.     

Synthesis and antiviral screening of some novel pyridazine and triazolopyridazine nucleosides

Some novel cyclic and acyclic pyridazine and triazolopyridazine nucleoside derivatives were prepared. Some of the prepared products were selected and tested for antiviral activity against herpes simplex virus type‐1 (HSV‐1) and hepatitis‐A virus (HAV, MBB‐cell culture adapted strain). Plaque reduction infectivity assay was used to determine virus count reduction as a result of treatment with test compounds. Compound 15 showed the highest effect on the HAV than the other tested compounds. © 2007 Wiley Periodicals, Inc. Heteroatom Chem 18:274–282, 2007; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20296     

Characterization of structural modifications in poly-tetra-fluoroethylene induced by electron beam irradiation

The effects of electron beam irradiation doses on the poly-tetra-fluoroethylene (PTFE) have been studied. Several techniques, such as X-ray diffraction (XRD), differential scanning calorimetry (DSC), mechanical properties and Fourier transform infrared spectroscopy (FTIR) were applied to characterize the PTFE samples and to study the radiation effects on the crystal structure of the polymer.The irradiation dose up to 150 kGy showed an increase in the crystallinity degree of PTFE, which has been observed and confirmed during the DSC and XRD measurements. The increase in crystallinity was attributed to the scissions of the chain in the amorphous region. Moreover, the number-average molecular weights were estimated from the heat of crystallization measured by DSC technique. The results indicated that the molecular weights were decreased by increasing the heat of crystallization due to irradiation with doses up to 150 kGy. Radiation resistance of the irradiated and non-irradiated PTFE was investigated during its mechanical properties at room temperature. The dose at half value of the elongation at break is about 3.10 kGy while the dose at half value of the tensile strength is about 1.70 kGy.     

Thermal-diffusion and diffusion-thermo effects on combined heat and mass transfer by hydromagnetic three-dimensional free convection over a permeable stretching surface with radiation

The thermal-diffusion and diffusion-thermo effects on the heat and mass transfer characteristics of free convection past a continuously stretching permeable surface in the presence of magnetic field, blowing/suction and radiation are studied. The fluid viscosity is assumed to vary with temperature. The resulting, governing three-dimensional equations are transformed using a similarity transformation and then solved numerically by the shooting method. Comparison with previously published work is performed and full agreement is obtained. A parametric study showing the effects of variable viscosity parameter β, magnetic parameter M, Dufour number Df, Soret number Sr, radiation parameter R and blowing/suction parameter f₀ on the velocity, temperature, and concentration field of a hydrogen-air mixture as a non-chemical reacting fluid pair, as well as the local skin-friction coefficient, the local Nusselt number, and the local Sherwood number is carried out. These are illustrated graphically and in tabular form to depict special features of the solutions.     

Solitons and Other Solutions for the Nonlinear Convection–Diffusion–Reaction Equation with Power-Law Nonlinearity by the Extended Simplest Equation Method

Computational Mathematics and Modeling - Based on the extended simplest equation method, we construct solitons and other solutions for the nonlinear convection-diffusion-reaction equation with...     

Acetate- and thiol-capped monodisperse ruthenium nanoparticles: XPS, XAS, and HRTEM studies

Monodisperse ruthenium nanoparticles were prepared by reduction of RuCl3 in 1,2-propanediol. The mean particle size was controlled by appropriate choice of the reduction temperature and the acetate ion concentration. Colloidal solutions in toluene were obtained by coating the metal particles with dodecanethiol. High-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and X-ray absorption spectroscopy (XANES and EXAFS for the Ru K-absorption edge) were performed on particles of two different diameters, 2 and 4 nm, and in different environments, polyol/acetate or thiol. For particles stored in polyol/acetate XPS studies revealed superficial oxidation limited to one monolayer and a surface coating containing mostly acetate ions. Analysis of the EXAFS spectra showed both oxygen and ruthenium atoms around the ruthenium atoms with a Ru-Ru coordination number N smaller than the bulk value, as expected for fine particles. In the case of 2 nm acetate-capped particles N is consistent with particles made up of a metallic core and an oxidized monolayer. For 2 nm thiol-coated particles, a Ru-S bond was evidenced by XPS and XAS. For the 4 nm particles XANES and XPS studies showed that most of the ruthenium atoms are in the zerovalent state. Nevertheless, in both cases, when capped with thiol, the Ru-Ru coordination number inferred from EXAFS is much smaller than for particles of the same size stored in polyol. This is attributed to a structural disorganization of the particles by thiol chemisorption. HRTEM studies confirm the marked dependence of the structural properties of the ruthenium particles on their chemical environment; they show the acetate-coated particles to be single crystals, whereas the thiol-coated particles appear to be polycrystalline.     

Determination of in situ parameters of sandy soils for off-road vehicle mobility

This study focuses on the development of a methodology for the determination of some in situ parameters for off-road vehicle mobility on sandy soils. The stress field in the vicinity of and at the interface between a wedge and soil was determined by solving the stress equations using the method of characteristics. The governing equations were solved numerically by using backward finite difference method. The proposed method allows the prediction of any two of the in situ soil parameters δ, φ, and γ (respectively, the interfacial friction angle between the material of a wedge penetrometer and the soil, the internal friction angle, and the unit weight of the soil), given the value of any one of them and the results of penetration tests of two different apex angle wedges. The predictions and the measured values are in agreement.     

Regular approximation of singular self-adjoint differential operators

Given a singular self-adjoint differential operator of order 2n with real coefficients we constructtwo sequences of regular self-adjoint differential expressions^r which converge to ina generalized sense of resolvent convergence. The first constructionis suitable when no information about the real resolvent setof is available. The second is suitablewhen we know a real point of the resolvent set of .The main application of this construction is in numerical solutionof singular differential equations.