Passive control of the flow around a square cylinder using porous media

The passive control of bluff body flows using porous media is investigated by means of the penalization method. This method is used to create intermediate porous media between solid obstacles and the fluid in order to modify the boundary layer behaviour. The study covers a wide range of two‐dimensional flows from low transitional flow to fully established turbulence by direct numerical simulation of incompressible Navier–Stokes equations. A parametric study is performed to illustrate the effect of the porous layer permeability and thickness on the passive control. The numerical results reveal the ability of porous media to both regularize the flow and to reduce the drag forces up to 30%. Copyright © 2004 John Wiley & Sons, Ltd.     

Isospectral theory of Euler equations

Isospectral problem of both 2D and 3D Euler equations of inviscid fluids, is investigated. Connections with the Clay problem are described. Spectral theorem of the Lax pair is studied.     

Optimal estimation of linear operators from inaccurate data: A second look

This paper intends to re-examine some results and proofs given in a previous publication on optimal estimation under uncertainty. In a rather general setting we showed that regularization of an element of a linear space relative to a quadratic criterion and inaccurate linear observations is an optimal method for recovering a linear operator of that element. For this to be the case, the regularization parameter must be chosen with care.     

The completely positive and doubly nonnegative completion problems

We prove the following. Let G be an undirected graph. Every partially specified symmetric matrix, the graph of whose specified entries is G and each of whose fully specified submatrices is completely positive (equal to BB^T for some entrywise nonnegative matrix B), may be completed to a completely positive matrix if and only if G is a block-clique graph (a chordal graph in which distinct maximal cliques overlap in at most one vertex). The same result holds for matrices that are doubly nonnegative (entrywise nonnegative and positive semidefinite).     

Synthesis and cationic photopolymerization of new fluorinated,polyfunctional propenyl ether oligomers

New fluorinated, polyfunctional propenyl ether functionalized resins were synthesized, and their behavior in cationic photopolymerization was investigated. The photopolymerization proceeded efficiently with a high double‐bond conversion (>90%), giving rise to UV‐cured coatings characterized by low glass‐transition temperatures (?33 °C ≤ glass‐transition temperature ≤ ?15 °C) and hydrophobic surface properties. A fluorinated additive was also employed as a reactive additive in the cationic photopolymerization of trimethylolpropane tripropenyl ether, increasing the double‐bond conversion, polymer network flexibility, thermal stability, and surface hydrophobicity. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 6943–6951, 2006     

Partial molal heat capacities of aqueous tetraalkylammonium bromides as functions of temperature

Enthalpies of solution have been measured from 5 to 85°C for aqueous tetraethyl- and tetrapropylammonium bromides, and the integral heat method is employed to evaluate for these electrolytes over a wide temperature range. Data taken from the literature have been used to evaluate for aqueous Bu₄NBr over a similar temperature range. These data, along with similar data for Me₄NBr, previously reported, have been used to evaluate absolute ionic heat capacities. While the absolute values agree only qualitatively with two other methods of division, the temperature dependences of the three methods essentially agree up to 65°C. Heat capacities due to structural effects on the solvent, obtained by subtracting the inherent heat capacities of the ions, are extraordinarily positive for all four tetraalkylammonium ions and have negative temperature coefficients, indicating that all four ions, including the tetramethylammonium ion, are structure-making ions.     

Deuterium exchange of 4-pyrimidones and 4-pyrimidthiones

The hydrogen-deuterium exchange of H-2 in 4-pyrimidone, a number of 1- and 3-alkyl-4-pyrimidones and several of their thione analogs in deuterium oxide at moderate temperatures is reported. This reaction is apparently not susceptible to acid or base catalysis. Cations of the 4-pyrimidones were found not to exchange H-2 at all in acid media. Catalytic amounts of bases do not alter the exchange rates whereas more concentrated alkali decompose the pyrimidone. However, 1,4(3,4)-dihydro-1,3-dimethyl-4-oxopyrimidinium iodide (and its 6-methyl analog) exchange H-2 quite rapidly in neutral deuterium oxide, almost instantly when triethylamine is added as a catalyst, and very slowly in dilute solutions of deuterium chloride in deuterium oxide. Mechanisms are proposed to account for these phenomena.     

Rotational contour analysis of the electronic origin band in the emission spectrum of the orthoxylyl radical at 4683 Å

The rotational contour of the 4683 Å emission band of the o-xylyl radical was studied at high resolution. Calculations of the rotational contour of this hybrid band were made in the rigid rotor approximation for various sets of values of the excited state rotational constants and directions of the transition moment μ. Matching of computed and experimental rotational features showed that μ is oriented at +37° or ?37° with respect to the b inertial axis. The nature of the excited states of o-xylyl and the methyl-to-ring interaction are discussed with respect to these two possible assignments     

Structural and electronic comparative analysis of aminopyridazines showing anti-GABA activity. Crystal structure of 2-(carboxy-3′-propyl)-3-amino-6-cyclohexylpyridazinium bromide.Ab initio Mulliken population analysis of the 6-phenyl-substituted analog compared to GABA

The crystal structure of 2-(carboxy-3-propyl)-3-amino-6-cyclohexylpyridazinium bromide has been determined by single-crystal X-ray diffraction techniques and refined by full-matrix least squares. The compound crystallized in the tri-clinic space groupP ¯1 witha=10.275(1),b=11.215(1),c=7.082(1) Å,=91.84(1),=102.21(1), =106.77(1)°, andZ=2. FinalR-factor is 0.045. The main structural results are very similar to the ones observed for the 6-phenyl analog. These two compounds are GABA-A antagonists.Ab initio molecular orbital calculations, with STO-3G and 4-31G basis sets, suggest that the exocyclic nitrogen accurately mimics the nitrogen atom of GABA.