Effects of aldehyde or dipyrromethane substituents on the reaction course leading to meso-substituted porphyrins

To better understand the effects of diverse substituents on reactions leading to porphyrins, pyrrole+aldehyde condensations and related reactions of dipyrromethanes were examined. The course of pyrrole+aldehyde condensations was investigated by monitoring the yield of porphyrin (by UV-Vis spectroscopy), reaction of aldehyde (by TLC), and changes in the composition of oligomers (by laser desorption mass spectrometry). Reaction reversibility was examined via exchange experiments. Reversibility of reactions leading to porphyrin was further probed with studies of dipyrromethanes. The reaction course was found to depend on the nature of the substituent and the acid catalyst. Alkyl or electron-donating substituents displayed levels of reversibility (exchange/scrambling) on par or greater than that of the phenyl substituent, whereas electron-withdrawing or sterically bulky substituents exhibited little to no reversibility. The results obtained provide insight into the electronic and steric effects of different substituents and should facilitate the design of synthetic plans for preparing porphyrinic macrocycles.     

Fractional Derivatives Applied to Phase-Space Reconstructions

The concept and application of phase-space reconstructions are reviewed. Fractional derivatives are then proposed for the purpose of reconstructing dynamics from a single observed time history. A procedure is presented in which the fractional derivatives of time series data are obtained in the frequency domain. The method is applied to the Lorenz system. The ability of the method to unfold the data is assessed by the method of global false nearest neighbors. The reconstructed data is used to compute recurrences and correlation dimensions. The reconstruction is compared to the commonly used method of delays in order to assess the choice of reconstruction parameters, and also the quality of results.     

An improved numerical simulator for multiphase flow in porous media

In basin modelling the thermodynamics of a multicomponent multiphase fluid flux are computationally too expensive when derived from an equation of state and the Gibbs equality constraints. In this article we present a novel implicit molar mass formulation technique using binary mixture thermodynamics. The two proposed solution methods, with and without cross derivative terms between components, are based on a preconditioned Newton‐GMRES scheme for each time‐step with analytical computation of the derivatives. These new algorithms reduce significantly the numerical effort for the computation of the molar masses, and we illustrate the behavior of these methods with numerical computations. Copyright © 2004 John Wiley & Sons Ltd.     

Free boundary viscous flows at micro and mesolevel during liquid composites moulding process

Numerical simulation aspects, related to low Reynolds number free boundary viscous flows at micro and mesolevel during the resin impregnation stage of the liquid composite moulding process (LCM), are presented in this article. A free boundary program (FBP), developed by the authors, is used to track the movement of the resin front accurately by accounting for the surface tension effects at the boundary. Issues related to the global and local mass conservation (GMC and LMC) are identified and discussed. Unsuitable conditions for LMC and consequently GMC are uncovered at low capillary numbers, and hence a strategy for the numerical simulation of such flows is suggested. FBP encompasses a set of subroutines that are linked to modules in ANSYS. FBP can capture the void formation dynamics based on the analysis developed. We present resin impregnation dynamics in two dimensions. Extension to three dimensions is a subject for further research. Several examples are shown and efficiency of different stabilization techniques are compared. Copyright © 2004 John Wiley & Sons, Ltd.     

Forces along Equidistant Particle Paths

Two particles on the sphere leave the equator moving due south and travel at a constant and equal speed along a geodesic colliding at the south pole. An observer who is unaware of the curvature of the space will conclude that there is an attractive force acting between the particles. On the other hand, if particles travel at the same speed (initially parallel) along geodesics in the hyperbolic plane, then the particle paths diverge. Imagine two particles in the hyperbolic plane that are bound together at a constant distance with their center of mass traveling along a geodesic path at a constant velocity, then the force due to the curvature of the space acts to break the bond and increases as a quadratic function of the velocity. We consider this problem for the sphere and the hyperbolic plane and we give the exact formula for the apparent force between the particles. This revised version was published online in July 2006 with corrections to the Cover Date.     

Latest results on J/ϕ suppression

We present preliminary results on J/? production in Pb-Pb collisions at 158 GeV/nucleon, obtained in the analysis of the most recent data sample collected by NA50 experiment in year 2000. The results are compared with an updated absorption curve deduced from new high statistics protonnucleus data. The measurements reported here confirm the anomalous J/? suppression already observed by NA50 from previously collected data samples.     

Giant piezoelectric and dielectric enhancement in disordered heterogeneous systems

Effective complex piezoelectric and dielectric constants of disordered heterogeneous systems, such as statistical mixtures consisting of spheroidal particles of the same orientation but with random distribution in space, are studied. It is found for the first time that, in such systems, there exists giant piezoelectric enhancement accompanied by giant relaxation of piezoelectric coefficients and permittivity. The piezoelectric and dielectric spectra differ considerably from the Debye spectra and have a Cole-Cole character. The dependence of the effects considered on the aspect ratios of the spheroids is investigated. The physical mechanisms responsible for the anomalous behavior of the piezoelectric coefficients and permittivity are considered.     

Nonequilibrium dynamics of quantum spin glass in an AC magnetic field

The ageing effect is studied analytically in a disordered quantum system interacting with its surroundings and subjected to an external ac magnetic field. Energy dissipation is due to the interaction of the system with a set of independent harmonic oscillators, imitating a quantum thermal bath. Dynamic equations for the autocorrelation function and linear-response function are derived using the method of closed-path integrals. The effect of an external field is studied on the correlation function and response in the spin-glass and paramagnetic phases. Both functions are found to depend on the spin interaction strength.