Uncharged encapsulated iron(II) complexes: transfer chemical potentials and solvation in water-methanol and water-t-butanol mixtures

Summary Transfer chemical potentials have been determined from measured solubilities for four uncharged encapsulated iron(II) complexes containing three diimine ligating moieties and O₃BOBu-n and O₃BF capping groups, in H₂O–MeOH andt-BuOH–H₂O solvent mixtures, The trends in transfer chemical potentials are discussed in terms of the natures of the encapsulating ligands, and are compared with those for a selection of other iron(II)-diimine complexes.     

On the S-procedure and Some Variants

We give a concise review and extension of S-procedure that is an instrumental tool in control theory and robust optimization analysis. We also discuss the approximate S-Lemma as well as its applications in robust optimization.The many suggestions and detailed corrections of an anonymous referee are gratefully acknowledged.     

Effect of biotransformation on multispecies plume evolution and natural attenuation

Biological transformation of volatile organic compounds is one of the key factors that influence contaminant-plume evolution and thus natural attenuation. In this study we investigate the effect of biological transformation on the transport of contaminants in the aqueous and gaseous phases. The analysis includes the study of the effect of density-driven advection of contaminants in the gaseous phase on multiphase and multispecies flow, fate and transport modeling in the subsurface. Trichloroethylene (TCE) and its two byproducts, dichloroethylene and vinyl chloride, are analyzed as the target contaminants. Our results indicate that density-driven advection of the gaseous phase, which is initiated by evaporation of TCE as a nonaqueous phase liquid, increases the downward and also the lateral migration of TCE within the unsaturated zone. This process also influences the location of high-concentration zones of the byproducts of TCE in the unsaturated and the saturated zones. Biotransformation of TCE contributes to the reduction of dissolved TCE plume development as expected. The daughter byproducts, which are introduced into the subsurface system, show distinct transport patterns as they are affected by their independent degradation kinetics and density-driven advection. These observations, which are based on our simulation results for biotransformation and transport of TCE and its byproducts, are useful in evaluating the natural attenuation processes, its potential health hazards and also the evaluation of potential plume development at contaminated sites.     

A Constitutive Model in Finite Viscoelasticity of Particle-reinforced Rubbers

Two series of tensile relaxation tests are performed on natural rubber filled with high abrasion furnace black. To fit observations, constitutive equations are derived for the nonlinear viscoelastic behavior of a particle-reinforced elastomer. A filled rubber is modeled as a composite medium, where inclusions with low concentrations of junctions are randomly distributed in the host matrix. The inclusions are treated as equivalent networks of macromolecules, where strands can separate from temporary junctions as they are thermally agitated. The bulk medium is thought of as a permanent network of chains. Unlike conventional concepts of transient networks, the concentration of strands in inclusions is assumed to be affected by mechanical factors: under active loading, inter-chain interactions weaken and some strands that were prevented from detachment from their junctions in a stress-free compound become free to separate from the junctions in a deformed medium. Unloading strengthens interactions between macromolecules, which results in an increase in the number of permanent strands. By using the laws of thermodynamics, stress–strain relations for a particle-reinforced rubber are developed. Adjustable parameters in the constitutive equations are found by fitting the experimental data. It is demonstrated that mechanical pre-loading and annealing of specimens at an elevated temperature noticeably affect concentrations of inclusions with various activation energies for rearrangement of strands.     

Fock Theories and Quantum Logics

The notion of Fock theory is introduced in the framework of quantum logics, which are here orthomodular atomic lattices satisfying the covering property. It is shown that there are some fundamental facts concerning particles, which may be successfully discussed in this general context. One of these facts is to establish the theoretical conditions for considering particles as sharply defined entities. The other refers to the theoretical circumstances, which almost impose to consider that some particles have a structure, meaning they are composed from other particles. This last problem is strongly related with the conservative time evolutions.     

Numerical Analysis and Simulation Analysis for Space‐Time Data

Spatio temporal dynamics of the positive column of a dc neon glow discharge is studied and investigated experimentally and theoretically. Spatio temporal analysis by means of biorthogonal decomposition method (BOD) gives insights into the mechanism of irregularity and can be employed for characterization of spatio‐ temporal complexity. In the weak nonlinear region, the wave dynamics is approximated by an amplitude equation of the Ginzburg‐Landau equation (CGLE) with complex coefficients and an additional integral term based on a fluid model. In the present work we deal with irregular spatio‐temporal data. A comparison between the numerical analysis of the experimental data and simulation results are studied. A good agreement between the dynamical behaviour for experimental space‐time data and theoretical simulation space‐time results was obtained. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)