The prediction of coal properties using compressed infrared data from osculating polynomials

Reduction of the representation of infrared spectra from coal samples by osculating polynomials of degree nine is discussed. The reduced representation contains polynomial coefficients of order zero to four. Mathematical models of the original spectra are obtained by linear combination of the coefficients. These compressed models are statistically correlated to coal properties, namely, volatile matter, fixed carbon, ash content, heating value, hydrogen, carbon, sulphur, nitrogen, and maximum vitrinite reflectance, and the results are compared with those previously obtained from second derivatives of the same spectra. The use of compressed data, while giving slightly better correlations for some of the properties, has the advantage of requiring less computational time.     

THE FIRST EXPERIMENT OF A THz GYROTRON WITH A PULSE MAGNET

A THz gyrotron with a pulse magnet has been designed, constructed and operated in FIR FU. It is developed as one of high frequency gyrotrons included in Gyrotron FU Series. The gyrotron has already achieved the first experimental result for high frequency operations whose radiation frequency exceeds 1 THz. In this paper, the design detail and the operation test results for sub-terahertz to terahertz range are described. The second harmonic operation is confirmed experimentally at the expected frequency of 1.005 THz due to TE_6,11 cavity mode at the magnetic field intensity of 19.0 T.     

INFLUENCE OF MAGNETIC FIELD INHOMOGENEITY ON OPERATION OF THE THz GYROTRON WITH A PULSE MAGNET

Influence of magnetic field tapering on operation of a gyrotron working in the TE _4,12 mode at the second harmonic frequency 1013.67 GHz is investigated. It is found that the existing inhomogeneity of the magnetic field of the order of 0.25%–0.50% in the cavity allows one to achieve higher efficiencies. It improves also mode competition scenario by suppressing oscillations of the two parasitic TE _3,6⁺ and TE _5,5⁻ modes at the fundamental frequencies 513.35 GHz and 503.64 GHz, respectively.     

Error estimate for a stabilised domain decomposition method with nonmatching grids

Summary. In this paper, we analyse a stabilisation technique for the so-called three-field formulation for nonoverlapping domain decomposition methods. The stabilisation is based on boundary bubble functions in each subdomain which are then eliminated by static condensation. The discretisation grids in the subdomains can be chosen independently as well as the grid for the final interface problem. We present the analysis of the method and we construct a set of bubble functions which guarantees the optimal rate of convergence. Received May 12, 1998 / Revised version received November 21, 2000 / Published online June 7, 2001     

Analysis of plane and axisymmetric flows of incompressible fluids with the stream tube method: Numerical simulation by trust-region optimization algorithm

New concepts for the study of incompressible plane or axisymmetric flows are analysed by the stream tube method. Flows without eddies and pure vortex flows are considered in a transformed domain where the mapped streamlines are rectilinear or circular. The transformation between the physical domain and the computational domain is an unknown of the problem. In order to solve the non-linear set of relevant equations, we present a new algorithm based on a trust region technique which is effective for non-convex optimization problems. Experimental results show that the new algorithm is more robust compared to the Newton-Raphson method.     

Compositions for health products obtained by treatment of tomato with beta-cyclodextrin

The aim of this work was to produce lycopene-containing powders from tomato products by a solvent-free method making use of β-cyclodextrin (βCD). Powders were prepared by spray-drying a tomato concentrate (TC), one of the most bioavailable form of lycopene, after mechanical treatment with βCD in different weight ratios. The obtained product was centrifuged to eliminate partly food matrix and characterized for the amount of lycopene hydrodispersed/hydrosolubilized in the aqueous fraction. The chemical antioxidant activity of sera was evaluated too. Powders obtained by spray-drying sera exhibited good flow properties, a lycopene content between 0.4 and 1.09 mg/g and excellent water dispersability. The process developed, which makes use of βCD for the treatment of tomato products, turns to be of great interest to obtain a bulk material for nutraceuticals displaying superior biovailability of lycopene.     

A kinetic Monte Carlo method on super-lattices for the study of the defect formation in the growth of close packed structures

A modified Kinetic Lattice Monte Carlo model has been developed to predict growth rate regimes and defect formation in the case of the homo-epitaxial growth of close packed crystalline structures. The model is an improvement over standard Monte Carlo algorithms, which usually retain fixed atom positions and bond partners indicative of perfect crystal lattices. Indeed, we extend the concepts of Monte Carlo growth simulations on super-lattices containing additional sites (defect sites) with respect to those of the reference material. This extension implies a reconsideration of the energetic mapping, which is extensively presented, and allows to describe a complex phenomenology that is out of accessibility of standard stochastic approaches. Results obtained using the Kawasaki and the Bond-Counting rules for the transition probability of the Monte Carlo event are discussed in details. These results demonstrate how the defect types (local or extended), the formation mechanisms and the defect generation regimes can be characterized using our approach.     

Nanostructured polymetallaynes of controlled length: Synthesis and characterization of oligomers and polymers from 1,1′‐bis‐(ethynyl)4,4′‐biphenyl bridging Pt(II) or Pd(II) centers

The reactivity of square planar palladium(II) and platinum(II) complexes in trans or cis configuration, namely trans or cis‐[dichlorobis(tributylphosphine)platinum(II)] and trans‐[dichlorobis(tributylphosphine)palladium(II)] with 1,1′‐bis(ethynyl) 4,4′‐biphenyl, DEBP, leading to π‐conjugated organometallic oligomeric and polymeric metallaynes, was investigated by a systematic variation of the reaction conditions. The formation of polymers and oligomers with defined chain length [? M(PBu₃)₂ (C?C? C₆H₄? C₆H₄? C?C? )]_n (n = 3–10 for the oligomers, n = 20–50 for the polymers) depends on the configuration of the precursor Pt(II) and Pd(II) complexes, the presence/absence of the catalyst CuI, and the reaction time. A series of model reactions monitored by XPS, GPC, and NMR ³¹P spectroscopy showed the route to modulate the chain growth. As expected, the nature of the transition metal (Pt or Pd) and the molecular weight of the polymers markedly influence the photophysical characteristics of the polymetallaynes, such as optical absorption and emission behavior. Polymetallaynes with nanostructured morphology could be obtained by a simple casting procedure of polymer solutions. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 3311–3329, 2007     

Crystallographic report: Crystal structure of tetra(4‐methyl‐5‐imidazole‐carboxyaldehyde)zinc(II) diperchlorate

The central zinc(II) atom in the title complex is tetrahedrally coordinated by four nitrogen atoms derived from 4‐methyl‐5‐imidazolecarboxyaldehyde ligands with Zn? N in the range 2.007(3) to 2.026(4) Å. Copyright © 2003 John Wiley & Sons, Ltd.