Estimation of line tension and contact angle from heterogeneous nucleation experimental data

Using the classical nucleation theory corrected with line tension and experimental data of heterogeneous nucleation of n-nonane, n-propanol, and their mixture on silver particles of three different sizes, the authors were able to estimate the line tensions and the microscopic contact angles for the above mentioned systems. To do this they applied generalized Young's equation for the line tension and calculated the interfacial tensions using Li and Neumann's equation [Adv. Colloid Interface Sci. 39, 299 (1992)]. It has been found that, for both unary and binary systems, the line tension is negative and the resulting microscopic contact angle derived from experimental nucleation data is most of the time larger than the macroscopic one. This is in contrast to earlier studies where the influence of line tension has not been accounted for. The values of the three phase contact line tension obtained in this way are of the same order of magnitude as the estimations for other systems reported in literature. The line tension effect also decreases considerably the nucleation barrier.     

Connection between the virial equation of state and physical clusters in a low density vapor

We carry out Monte Carlo simulations of physical Lennard-Jones and water clusters and show that the number of physical clusters in vapor is directly related to the virial equation of state. This relation holds at temperatures clearly below the critical temperatures, in other words, as long as the cluster-cluster interactions can be neglected--a typical assumption used in theories of nucleation. Above a certain threshold cluster size depending on temperature and interaction potential, the change in cluster work of formation can be calculated analytically with the recently proposed scaling law. The breakdown of the scaling law below the threshold sizes is accurately modeled with the low order virial coefficients. Our results indicate that high order virial coefficients can be analytically calculated from the lower order coefficients when the scaling law for cluster work of formation is valid. The scaling law also allows the calculation of the surface tension and equilibrium vapor density with computationally efficient simulations of physical clusters. Our calculated values are in good agreement with those obtained with other methods. We also present our results for the curvature dependent surface tension of water clusters.     

THE EFFECTS OF EXOGENOUS CATALASE ON BROAD-SPECTRUM NEAR-UV (300-400 nm) TREATED Escherichia coli CELLS

Abstract —Catalase incorporated into plating medium protects against inactivation and mutagenesis by broad-spectrum near-ultraviolet wavelength (300-400 nm) (NUV) radiation in strains of Escherichia coll . Plating medium containing catalase does not provide protection against inactivation by wavelengths in the FUV region. Catalase added to the cell suspension during or added immediately after NUV exposure also protects against inactivation. The protection provided by catalase suggests a possible role for hydrogen peroxide in the processes of inactivation and mutagenesis by broad-spectrum NUV.     

Thermoanalytical study on the reactions of selected rare earth oxides with ammonium halides

A comparative study has been made on the reactions of RE oxides (RE = Y, La, Gd and Lu) with ammonium bromide, and of yttrium oxide with ammonium halides NH₄X (X = F, Cl, Br and I) at different temperatures. Most of the reactions take place in three stages, with formation of two intermediate compounds, REX₃ · 3 NH₃ and REX₃ · 1.5 NH₃. The endothermic reactions begin between 200 and 300°C and the formation of the RE oxyhalide is completed between 340 and 470°C. These temperatures were observed to rise with the increasing atomic number of RE in the series LaOBrLuOBr, and of halide in the series YOFYOI.     

A model to predict the steady-state concentration of hydroxyl radicals in the surface layer of natural waters

A model was developed to predict the steady-state [*OH] in the surface layer of natural waters as a function of nitrate, inorganic carbon (IC) and dissolved organic matter (DOM). The parameter values were studied in the range detected in shallow high-mountain lakes, to which the model results are most relevant. Calculations indicate that [*OH] increases with increasing nitrate and decreasing IC, and conditions are also identified where [*OH] is directly proportional, inversely proportional or independent of DOM. Based on the model results it is possible to predict the half-life time, due to reaction with *OH, of given dissolved compounds, including organic pollutants, from the water composition data.     

An ab initio study of van der Waals potential energy parameters for silver clusters

We employ ab initio calculations of van der Waals complexes to study the potential energy parameters (C(6) coefficients) of van der Waals interactions for modeling of the adsorption of silver clusters on the graphite surface. Electronic structure calculations of the (Ag(2))(2), Ag(2)-H(2), and Ag(2)-C(6)H(6) complexes are performed using a coupled-cluster approach that includes single, double, and perturbative triple excitations (CCSD(T)), M?ller-Plesset second-order perturbation theory (MP2), and spin-component-scaled MP2 (SCS-MP2) methods. Using the atom pair approximation, the C(6) coefficients for silver-silver, silver-hydrogen, and silver-carbon atom systems are obtained after subtracting the energies of quadrupole-quadrupole interactions from the total electronic energy.     

All-electron time-dependent density functional theory with finite elements: time-propagation approach

We present an all-electron method for time-dependent density functional theory which employs hierarchical nonuniform finite-element bases and the time-propagation approach. The method is capable of treating linear and nonlinear response of valence and core electrons to an external field. We also introduce (i) a preconditioner for the propagation equation, (ii) a stable way to implement absorbing boundary conditions, and (iii) a new kind of absorbing boundary condition inspired by perfectly matched layers.     

Controlled lateral spreading and pinning of oil droplets based on topography and chemical patterning

Geometric pinning sites can be used to control the lateral spreading and pinning of oils on surfaces. The geometric pinning effect combined with lithographic surface chemistry patterning allows controlling the shapes of oil droplets. We study the confinement effect on test structures of various protruding and intruding geometries, and employ scanning electron microscopy analysis to study the shape of the meniscus at the edges of the chemical patterns. Nanopillar and micropillar topographies are compared, revealing that it is a necessity for accurate oil patterns that the length scale of the roughness is smaller than the resolution of the surface chemistry pattern. We also find that there exists a critical, geometry-dependent threshold contact angle, below which the geometric confinement does not work, as olive oil with a static advancing contact angle of 57° accurately replicated the chemical pattern on top of nanopillar topography, but hexadecane with a static advancing contact angle of 50° penetrated the pinning sites and wetted the whole surface.     

Screening for vanadium in urine and blood serum by electrothermal atomic absorption spectrometry and D.C. plasma atomic emission spectrometry

Practical detection limits were 2 and 10 μg l^?1 vanadium for pyrolyte graphite-furnace a.a.s. and d.c.p.-a.e.s., respectively, which allowed screening for urinary vanadium (? 10 μg ?in ? subjects, by direct measurements. Extraction of vanadium with ammonium 1?inecarbodithioate into 4-methylpentan-2-one gave detection limits of 0.5 and ? μg l^?1 vanadium, respectively, for the two techniques.     

Analysis of superconductor oxides YBa2Cu3O8−x by inductively coupled plasma atomic emission spectrometry and complexometric titration

The elemental composition of superconductor oxides YBa₂Cu₃O_8−x were determined by inductively coupled plasma atomic emission spectrometry (ICP-AES) and complexometric titration. Samples were dissolved in dilute HCl. A sequential PU 7000 Philips inductively coupled plasma atomic emission spectrometer was used for the measurements. A comparison of the different atom and ion emission lines of yttrium, barium and copper was carried out. The effect of changes of forward radio frequency (RF) power coupled into the plasma on emission intensity of various spectral lines was studied. The RF power was changed from 0.8 to 1.2 kW. The changes in the net intensities (%) of the emission lines of Cu(I) at 324.754 nm, Cu(II) at 224.700 nm, Ba(II) at 455.403, Ba(II) at 493.409 nm, Y(II) at 371.030 nm and Y(II) at 360.073 nm were calculated. The indicator 1-(2-Pyridylazo)-2-Naphthol (PAN) and different buffers were used for the complexometric titration of Cu, Y and Ba. No statistically significant differences were found between the results of ICP-AES and chemical methods of analysis.