Palladium nanoparticles‐decorated triethanolammonium chloride ionic liquid‐modified TiO2 nanoparticles (TiO2/IL‐Pd): A highly active and recoverable catalyst for Suzuki–Miyaura cross‐coupling reaction in aqueous medium

In this work, an easily obtained procedure was successfully implemented to prepare novel palladium nanoparticles decorated on triethanolammonium chloride ionic liquid‐functionalized TiO₂ nanoparticles [TiO₂/IL‐Pd]. Different methods were carried out for characterizations of the synthesized nanocatalyst (HR‐TEM, XPS, XRD, FE‐SEM, EDX, FT‐IR and ICP). TiO₂/IL‐Pd indicated good catalytic activity for the Suzuki–Miyaura cross‐coupling reaction of arylboronic acid with different aryl halides in aqueous media at ambient temperature. The recycled catalyst was investigated with ICP to amount of Pd leaching after 6 times that had diminished slightly, Thus, was confirmed that the nanocatalyst has a good sustainability for C–C Suzuki–Miyaura coupling reaction. The catalyst can be conveniently separated by filtration of the reaction mixture and reused for 6 times without significant loss of its activity. It supplies an environmentally benign alternative path to the existing protocols for the Suzuki–Miyaura reaction.     

Wave body interaction in 2D using smoothed particle hydrodynamics (SPH) with variable particle mass

Wave interaction with bodies is an important practical application for smoothed particle hydrodynamics (SPH) which in principle applies to steep and breaking waves without special treatment. However, few detailed tests have been undertaken even with small amplitude waves. In order to reduce computer time a variable particle mass distribution is tested here with fine resolution near the body and coarse resolution further away, while maintaining a uniform kernel size. We consider two well‐defined test cases, in two dimensions, of waves generated by a heaving semi‐immersed cylinder and progressive waves interacting with a fixed cylinder. But first, still water with hydrostatic pressure is tested. The open‐source code SPHysics ( http://www.sphysics.org )^{§Update made here after initial online publication.} is used with a Riemann solver in an Arbitrary Lagrangian–Eulerian formulation. For the heaving cylinder, SPH results for far field wave amplitude and cylinder force show good agreement with the data of Yu and Ursell (J. Fluid Mech. 1961; 11 :529–551). For wave loading on a half‐submerged cylinder the agreement with the experimental data of Dixon et al. (J. Waterway Port Coastal Ocean Div. 1979; 105 :421–438) for the root mean square force is within 2%. For more submerged cases, the results show some discrepancy, but this was also found with other modelling approaches. The sensitivity of results to the value of the slope limiter used in the MUSCL‐based Riemann solver is demonstrated. The variable mass distribution leads to a computer run speedup of nearly 200% in these cases. Copyright © 2011 John Wiley & Sons, Ltd.     

Investigating the effect of nanolayered silicates on blend segmental dynamics and minor component relaxation behavior in poly(ethylene oxide)/poly(methyl methacrylate) miscible blends

Polymer–silicate nanocomposites based on poly (ethylene oxide), PEO, poly(methyl methacrylate), PMMA, and sodium montmorillonite clay were fabricated and characterized to investigate the effect of nanolayered silicates on segmental dynamics of PEO/PMMA blends. X‐ray results indicate the formation of an exfoliated morphology in the nanocomposites. At low silicate contents, an enhancement in segmental dynamics of blend nanocomposites and also PEO, minor component in blend, is observed at temperature region below blend glass transition. This result can be attributed to the improvement of the confinement effect of rigid PMMA matrix on the PEO chains by introducing a low amount of layered silicates. On the other hand, at high silicate contents, an enhancement in segmental dynamics of blend nanocomposites and PEO is observed at temperature region above blend glass transition. This behavior could be interpreted based on the reduction of monomeric friction between two polymer components, which can facilitate segmental motions of blend components in nanocomposite systems. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011     

Weight reduction for mod ? Bianchi modular forms

Let K be an imaginary quadratic field with class number one and ? be a rational prime that splits in K. We prove that mod ?, a system of Hecke eigenvalues occurring in the first cohomology group of some congruence subgroup Γ of SL₂(OK) can be realized, up to twist, in the first cohomology with trivial coefficients after increasing the level of Γ by (?).     

Application of dispersive liquid-liquid microextraction and spectrophotometric detection to the rapid determination of rhodamine 6G in industrial effluents

A rapid and effective preconcentration method for extraction of rhodamine 6G was developed by using a dispersive liquid-liquid microextraction (DLLME) prior to UV-vis spectrophotometry. In this extraction method, a suitable mixture of acetone (disperser solvent) and chloroform (extractant solvent) was injected rapidly into a conical test tube containing aqueous solution of rhodamine 6G. Therefore, a cloudy solution was formed. After centrifugation of the cloudy solution, sedimented phase was evaporated, reconstituted with methanol and measured by UV-vis spectrophotometry. Different operating variables such as type and volume of extractant solvent, type and volume of disperser solvent, pH of the sample solution, salt concentration and extraction time were investigated. The optimized conditions (extractant solvent: 300 μL of chloroform, disperser solvent: 3 mL of acetone, pH: 8 and without salt addition) resulted in a linear calibration graph in the range of 5-900 ng mL⁻¹ of rhodamine 6G in initial solution with R² = 0.9988 (n = 5). The Limits of detection and quantification were 2.39 and 7.97 ng mL⁻¹, respectively. The relative standard deviation for 50 and 250 ng mL⁻¹ of rhodamine 6G in water were 2.88% and 1.47% (n = 5), respectively. Finally, the DLLME method was applied for determination of rhodamine 6G in different industrial waste waters.     

Steady and Unsteady Heat Transfer in a Channel Partially Filled with Porous Media Under Thermal Non-Equilibrium Condition

Steady and pulsatile flow and heat transfer in a channel lined with two porous layers subject to constant wall heat flux under local thermal non-equilibrium (LTNE) condition is numerically investigated. To do this, a physical boundary condition in the interface of porous media and clear region of the channel is derived. The objective of this work is, first, to assess the effects of local solid-to-fluid heat transfer (a criterion indicating on departure from local thermal equilibrium (LTE) condition), solid-to-fluid thermal conductivity ratio and porous layer thickness on convective heat transfer in steady condition inside a channel partially filled with porous media; second, to examine the impact of pulsatile flow on heat transfer in the same channel. The effects of LTNE condition and thermal conductivity ratio in pulsatile flow are also briefly discussed. It is observed that Nusselt number inside the channel increases when the problem is tending to LTE condition. Therefore, careless consideration of LTE may lead to overestimation of heat transfer. Solid-to-fluid thermal conductivity ratio is also shown to enhance heat transfer in constant porous media thickness. It is also revealed that an increase in the amplitude of pulsation may result in enhancement of Nusselt number, while Nusselt number has a minimum in a certain frequency for each value of amplitude.     

Efficient synthesis of highly substituted thiophenes from acetylenic esters,ethyl bromopyruvate,and tetramethylthiourea

The reaction of acetylenic esters with ethyl bromopyruvate in the presence of tetramethylthiourea led to highly functionalized thiophenes in excellent yields. Correspondence: Issa Yavari, Chemistry Department, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran.     

Effect of gravity on subject-specific human lung deformation

A biomechanical model of human lung is developed and used to investigate the effect of gravity on lung deformation. The lung is assumed to behave as a poro-elastic medium with spatially dependent elastic property. Finite element analysis is performed on a three-dimensional (3D) lung geometry reconstructed from a four-dimensional Computed Tomography (4DCT) scan dataset of human patient. The spatially dependent Young’s modulus (YM) values are estimated using inverse analysis from a linear elastic deformation model. The predicted deformation of selected landmarks is monitored with and without gravity, and compared with data obtained from 4DCT registration. The results show that gravity indeed significantly affects the magnitude and distribution of lung deformation with the maximum displacement enhanced by 54% in the direction of gravity, for the conditions investigated. In summary, the accuracy of predicted deformation is improved through incorporation of gravity in the biomechanical model of lung.     

VLES Modeling of Flow Over Walls with Variably-shaped Roughness by Reference to Complementary DNS

Turbulent flow over variably-shaped rough walls, characterized by either a regular or a random arrangement of axisymmetric roughness elements in an open channel flow configuration, is investigated computationally within a VLES (Very Large Eddy Simulation) framework by utilizing a volumetric forcing-based roughness model. The prime objective of the present work is to assess the roughness model’s capability to predict mean velocities and turbulent intensities in conjunction with this recently formulated hybrid LES/RANS (Reynolds-Averaged Navier-Stokes) model. The friction velocity-based Reynolds number is in the range Re_τ =?460 ? 500. A non-dimensional drag function accounting for the shape of the roughness elements is introduced and evaluated based on the results of complementary direct numerical simulations (DNS). The dynamics of the residual motion of the presently adopted VLES methodology is described by an appropriately modified elliptic-relaxation-based ζ ? f (\(\zeta =\overline {v^{2}}/k\)) RANS model.