Flow over rectangular porous block in a fixed width channel: influence of porosity and aspect ratio

Flow over a rectangular porous block placed in a fixed width channel is considered and the influence of block aspect ratio on the heat transfer rate from the block is examined. A non-porous solid block is also accommodated to compare the effect of porosity on the flow field and heat transfer characteristics. Aspect ratio and the porosity of the block are varied in the simulations. A numerical scheme employing a control volume approach is considered when predicting the flow and temperature fields. The Reynolds number is selected to yield the mix convection situation in the flow field. It is found that the aspect ratio significantly influences Nu and Gr numbers, in which case increasing the aspect ratio enhances Nu while lowering Gr. Increasing porosity improves the heat transfer rates from the porous block, provided that at high aspect ratios, this situation ceases due to blockage effect of the body in the channel.     

Mössbauer Spectra of FePS3-Cobaltocene Intercalation Compound

Abstract

Mössbauer spectra of the FePS₃-cobaltocene intercalation compound were measured in the temperature range of 300K to 10K. The spectra, distinct from those of pure FePS₃, suggest the charge transfer from cobaltocene to Fe-S antibonding orbitals of the FePS₃ host lattice.     

Improved Electrochemical Cycling Durability in a Nickel Oxide Double‐Layered Film

For the first time, a crystalline–amorphous double‐layered NiO_x film has been prepared by reactive radio frequency magnetron sputtering. This film has exhibited improved electrochemical cycling durability, whereas other electrochromic parameters have been maintained at the required level, namely, a short coloration/bleaching time (0.8 s/1.1 s) and an enhanced transmittance modulation range (62.2 %) at λ =550 nm. Additionally, the double‐layered film has shown better reversibility than that of amorphous and crystalline single‐layered films.     

Equivalent nonlinear beam model for the 3-D analysis of shear-type buildings: Application to aeroelastic instability

Tower buildings can be very sensitive to dynamic actions and their dynamic analysis is usually carried out numerically through sophisticated finite element models. In this paper, an equivalent nonlinear one-dimensional shear–shear–torsional beam model immersed in a three-dimensional space is introduced to reproduce, in an approximate way, the dynamic behavior of tower buildings. It represents an extension of a linear beam model recently introduced by the authors, accounting for nonlinearities generated by the stretching of the columns. The constitutive law of the beam is identified from a discrete model of a 3D-frame, via a homogenization process, which accounts for the rotation of the floors around the tower axis. The macroscopic shear strain in the equivalent beam is produced by the bending of columns, accompanied by negligible rotation of the floors. A coupled nonlinear shear–torsional mechanical model is thus obtained. The coupling between shear and torsion is related to a non-symmetric layout of the columns, while mechanical nonlinearities are proportional to the slenderness of the columns. The model can be used for the analysis of the response of tower buildings to any kind of dynamic and static excitation. A first application is here presented to investigate the effect of mechanical and aerodynamic coupling on the critical galloping conditions and on the postcritical behavior of tower buildings, based on a quasi-steady model of aerodynamic forces.     

Issue Information

An integrated finite element method (FEM) is proposed to simulate incompressible two‐phase flows with surface tension effects, and three different surface tension models are applied to the FEM to investigate spurious currents and temporal stability. A Q2Q1 element is adopted to solve the continuity and Navier–Stokes equations and a Q2‐iso‐Q1 to solve the level set equation. The integrated FEM solves pressure and velocity simultaneously in a strongly coupled manner; the level set function is reinitialized by adopting a direct approach using interfacial geometry information instead of solving a conventional hyperbolic‐type equation. In addition, a consistent continuum surface force (consistent CSF) model is utilized by employing the same basis function for both surface tension and pressure variables to damp out spurious currents and to estimate the accurate pressure distribution. The model is further represented as a semi‐implicit manner to improve temporal stability with an increased time step. In order to verify the accuracy and robustness of the code, the present method is applied to a few benchmark problems of the static bubble and rising bubble with large density and viscosity ratios. The Q2Q1‐integrated FEM coupled with the semi‐implicit consistent CSF demonstrates the significantly reduced spurious currents and improved temporal stability. The numerical results are in good qualitative and quantitative agreements with those of the existing studies. Copyright © 2015 John Wiley & Sons, Ltd.     

A FT-IR and V-UV Spectroscopic Study of Nickel-Containing Hydrotalcite-Like Compounds, [Ni1−xAlx(OH)2](CO3)x/2.nH2O

Hydrotalcite-like compounds containing Ni(II) and Al(III) cations and with different Ni/Al ratios in the brucite layers have been prepared and studied using FT-IR and V-UV/DR spectroscopies. It has been found that the local environment of the Ni(II) cations is the same in all cases, occupying octahedral holes, but the orientation of the interlayer carbonate anions changes with the Ni/Al ratio.     

Nanoindentation as a Probe for Mechanically‐Induced Molecular Migration in Layered Organic Donor–Acceptor Complexes

Nanoindentation and scratch experiments on 1:1 donor–acceptor complexes, 1 and 2 , of 1,2,4,5‐tetracyanobenzene with pyrene and phenanthrene, respectively, reveal long‐range molecular layer gliding and large interaction anisotropy. Due to the layered arrangements in these crystals, these experiments that apply stress in particular directions result in the breaking of interlayer interactions, thus allowing molecular sheets to glide over one another with ease. Complex 1 has a layered crystal packing wherein the layers are 68° skew under the (002) face and the interlayer space is stabilized by van der Waals interactions. Upon indenting this surface with a Berkovich tip, pile‐up of material was observed on just one side of the indenter due to the close angular alignment of the layers with the half angle of the indenter tip (65.35°). The interfacial differences in the elastic modulus (21 %) and hardness (16 %) demonstrate the anisotropic nature of crystal packing. In 2 , the molecular stacks are arranged in a staggered manner; there is no layer arrangement, and the interlayer stabilization involves C? H???N hydrogen bonds and π???π interactions. This results in a higher modulus (20 %) for (020) as compared to (001), although the anisotropy in hardness is minimal (4 %). The anisotropy within a face was analyzed using AFM image scans and the coefficient of friction of four orthogonal nanoscratches on the cleavage planes of 1 and 2 . A higher friction coefficient was obtained for 2 as compared to 1 even in the cleavage direction due to the presence of hydrogen bonds in the interlayer region making the tip movement more hindered.     

A mixed-ligand approach for building a N-rich porous metal-organic framework for drug release and anticancer activity against oral squamous cell carcinoma

Abstract

A new Zn(II) metal-organic framework (MOFs), [Zn(BTC)(HME)]·(DMAc)(H₂O) (1, H₃BTC =1,3,5-benzenetricarboxylic acid, HME?=?protonated melamine, DMAc?=?N,N-dimethylacetamide), has been synthesized under solvothermal conditions. In the structure of 1, the four-coordinate Zn(II) ions are connected by BTC^3? ligands into a 3-D framework with (3)-connected utg-type topology. This MOF shows permanent porosity after lattice solvent removal with a calculated pore size distribution around 0.72?nm. With abundant N-donor sites and suitable pore size, the desolvated 1 (1a) was used as a drug carrier for the loading of anticancer drug 5-fluorouracil (5-Fu) molecules. Moderate 5-Fu loading capacity and long drug release time were observed for 1a. The computational simulation results reveal that strong H-bond interactions between the 5-Fu molecules and the nitrogen sites allow slow release of the drug 1a. In addition, the in vitro cytotoxicity of 1 and 5-Fu loaded 1a were also evaluated using MTT assays against human oral squamous cell carcinoma (SCC-251 and HSC-4).