Search results for: eclipsed and staggered ferrocene

Authors: Feng Wang, Vladislav Vasilyev

Abstract:

Ferrocene (Fe(C5H5)2, i.e., di-cyclopentadienyle iron (FeCp2) or Fc) is a unique example of ‘wrong but seminal’ in chemistry history. It has significant applications in a number of areas such as homogeneous catalysis, polymer chemistry, molecular sensing, and nonlinear optical materials. However, the ‘molecular carousel’ has been a ‘notoriously difficult example’ and subject to long debate for its conformation and properties. Ferrocene is a dynamic molecule. As a result, understanding of the dynamical properties of ferrocene is very important to understand the conformational properties of Fc. In the present study, molecular dynamic (MD) simulations are performed. In the simulation, we use 5 geometrical parameters to define the overall conformation of Fc and all the rest is a thermal noise. The five parameters are defined as: three parameters d---the distance between two Cp planes, α and δ to define the relative positions of the Cp planes, in which α is the angle of the Cp tilt and δ the angle the two Cp plane rotation like a carousel. Two parameters to position the Fe atom between two Cps, i.e., d1 for Fe-Cp1 and d2 for Fe-Cp2 distances. Our preliminary MD simulation discovered the five parameters behave differently. Distances of Fe to the Cp planes show that they are independent, practically identical without correlation. The relative position of two Cp rings, α, indicates that the two Cp planes are most likely not in a parallel position, rather, they tilt in a small angle α≠ 0°. The mean plane dihedral angle δ ≠ 0°. Moreover, δ is neither 0° nor 36°, indicating under those conditions, Fc is neither in a perfect eclipsed structure nor a perfect staggered structure. The simulations show that when the temperature is above 80K, the conformers are virtually in free rotations, A very interesting result from the MD simulation is the five C-Fe bond distances from the same Cp ring. They are surprisingly not identical but in three groups of 2, 2 and 1. We describe the pentagon formed by five carbon atoms as ‘turtle swimming’ for the motion of the Cp rings of Fc as shown in their dynamical animation video. The Fe- C(1) and Fe-C(2) which are identical as ‘the turtle back legs’, Fe-C(3) and Fe-C(4) which are also identical as turtle front paws’, and Fe-C(5) ---’the turtle head’. Such as ‘turtle swimming’ analog may be able to explain the single substituted derivatives of Fc. Again, the mean Fe-C distance obtained from MD simulation is larger than the quantum mechanically calculated Fe-C distances for eclipsed and staggered Fc, with larger deviation with respect to the eclipsed Fc than the staggered Fc. The same trend is obtained for the five Fe-C-H angles from same Cp ring of Fc. The simulated mean IR spectrum at 7K shows split spectral peaks at approximately 470 cm-1 and 488 cm-1, in excellent agreement with quantum mechanically calculated gas phase IR spectrum for eclipsed Fc. As the temperature increases over 80K, the clearly splitting IR spectrum become a very board single peak. Preliminary MD results will be presented.

Keywords: ferrocene conformation, molecular dynamics simulation, conformer orientation, eclipsed and staggered ferrocene

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Authors: J. J. Peña, J. Morales, J. García-Ravelo, L. Arcos-Díaz

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The Point canonical transformation method is applied for solving the Schrödinger equation with position-dependent mass. This class of problem has been solved for continuous mass distributions. In this work, a staggered mass distribution for the case of a free particle in an infinite square well potential has been proposed. The continuity conditions as well as normalization for the wave function are also considered. The proposal can be used for dealing with other kind of staggered mass distributions in the Schrödinger equation with different quantum potentials.

Keywords: free particle, point canonical transformation method, position-dependent mass, staggered mass distribution

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Authors: Younghoo Choi, Yong Jun, Jinkoo Kim

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In this study seismic performance of typical reinforced concrete staggered wall system structures was evaluated through nonlinear static and incremental dynamic analyses. To this end, and 15-story SWS structures were designed and were analyzed to obtain their nonlinear force-displacement relationships. The analysis results showed that the 5-story SWS structures failed due to yielding of columns and walls located in the lower stories, whereas in the 15-story structures plastic hinges were more widely distributed throughout the stories.

Keywords: staggered wall systems, reinforced concrete, seismic performance

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Authors: Yue-Tzu Yang, Hsiang-Wen Tang, Jian-Zhang Yin, Chao-Han Wu

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Three-dimensional incompressible turbulent fluid flow and heat transfer of pin fin heat sinks using air as a cooling fluid are numerically studied in this study. Two different kinds of pin fins are compared in the thermal performance, including circular and square cross sections, both are in-line and staggered arrangements. The turbulent governing equations are solved using a control-volume- based finite-difference method. Subsequently, numerical computations are performed with the realizable k - ԑ turbulence for the parameters studied, the fin height H, fin diameter D, and Reynolds number (Re) in the range of 7 ≤ H ≤ 10, 0.75 ≤ D ≤ 2, 2000 ≤ Re ≤ 126000 respectively. The numerical results are validated with available experimental data in the literature and good agreement has been found. It indicates that circular pin fins are streamlined in comparing with the square pin fins, the pressure drop is small than that of square pin fins, and heat transfer is not as good as the square pin fins. The thermal performance of the staggered pin fins is better than that of in-line pin fins because the staggered arrangements produce large disturbance. Both in-line and staggered arrangements show the same behavior for thermal resistance, pressure drop, and the entropy generation.

Keywords: pin-fin, heat sinks, simulations, turbulent flow

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Authors: Narumol Chintaganun

Abstract:

In this paper we present the second-order central differencing scheme with the staggered version (STG) for solving the advection equation and Burger's equation. This scheme based on staggered evolution of the re-constructed cell averages. This scheme results in the second-order central differencing scheme, an extension along the lines of the first-order central scheme of Lax-Friedrichs (LxF) scheme. All numerical simulations presented in this paper are obtained by finite difference method (FDM) and STG. Numerical results are shown that the STG gives very good results and higher accuracy.

Keywords: central differencing scheme, STG, advection equation, burgers equation

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Authors: Sayed A. Elsayed, Emad Z. Ibrahim, Osama M. Mesalhy, Mohamed A. Abdelatief

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An experimental and numerical study has been conducted to clarify fluid flow characteristics and pressure drop distributions of a cross-flow heat exchanger employing staggered wing-shaped tubes at different angels of attack. The water-side Rew and the air-side Rea were at 5 x 102 and at from 1.8 x 103 to 9.7 x 103, respectively. Three cases of the tubes arrangements with various angles of attack, row angles of attack and 90° cone angles were employed at the considered Rea range. Correlation of pressure drop coefficient Pdc in terms of Rea, design parameters for the studied cases were presented. The flow pattern around the staggered wing-shaped tubes bundle were predicted by using commercial CFD FLUENT 6.3.26 software package. Results indicated that the values of Pdc were increased by increasing the angle of attack from 0° to 45°, while the opposite was true for angles of attack from 135° to 180°. Comparisons between the experimental and numerical results of the present study and those, previously, obtained for similar available studies showed good agreements.

Keywords: wing-shaped tubes, cross-flow cooling, staggered arrangement, CFD

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Authors: B. Hammouti, H. Oudda, A. Benabdellah, A. Benayada, A. Aouniti

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Corrosion behaviour of carbon steel was studied in various concentrated HClO4 solutions. To explain the acid attack in relation of H+ activity, new sensor was realised: two carbon paste electrodes (CPE) were constructed by incorporating ferrocene (Fc) and orthoquinone into the carbon paste matrix and crossed by weak current to stabilize potential difference. The potentiometric method at imposed weak current between these two electrodes permits the in situ determination of both concentration and acidity level of various concentrated HClO4 solutions. The different factors affecting the potential at imposed current as current intensity, temperature and H+ ion concentration are studied. The potentials measured between ferrocene and chloranil electrodes are directly linked to the acid concentration. The acidity Ri(H) function defined represents the determination of the H+ activity and constitutes the extend of pH is concentrated acid solutions. Ri(H) has been determined and compared to Strehlow Ro(H), Janata HGF and Hammett Ho functions. The collected data permit to give a scale of strength of mineral concentrated acids at a given concentration. Ri(H) is numerically equal to the thermodynamic Ro(H), but deviated from Hammett functions based on indicator determination. The CPE electrode with inserted ferrocene in presence of ferricinium (Fc+) ion in concentrated HClO4 at various concentrations is realized without junction potential and may plays the role of a practical reference electrode (FRE) in concentrated acids. Fc+ was easily prepared in biphasic medium HClO4-acid by the quantitative oxidation of ferrocene by the ortho-chloranil (oQ). Potential of FRE is stable with time. The variation of equilibrium potential of the interface Fc/ Fc+ at various concentrations of Fc+ (10-4 - 2 10-2 M) obeyed to the Nernst equation with a slope 0.059 Volt per decade. Corrosion rates obtained by weight loss and electrochemical techniques were then easily linked to acidity level.

Keywords: ferrocene, strehlow, concentrated acid, corrosion, Generalised pH, sensor carbon paste electrode

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Authors: Abhishek Kumar, Mohamed Awadein, Georg Gramse, Luyang Song, He Sun, Wolfgang Schofberger, Stefan Müllegger

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Electron transfer is a crucial part of chemical reactions which drive everyday processes. With the help of an electro-chemical radio frequency scanning tunneling microscopy (EC-RF-STM) setup, we are observing single electron mediated oxidation-reduction processes in molecules like ferrocene and transition metal corroles. Combining the techniques of scanning microwave microscopy and cyclic voltammetry allows us to monitor such processes with attoampere sensitivity. A systematic study of such phenomena would be critical to understanding the nano-scale behavior of catalysts, molecular sensors, and batteries relevant to the development of novel material and energy applications.

Keywords: radiofrequency, STM, cyclic voltammetry, ferrocene

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Authors: M. S. Kilic, S. Korkut, B. Hazer

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Newly synthesized Polypropylene-g-Polyethylene glycol polymer was first time used for a compartment-less enzymatic fuel cell. Working electrodes based on Polypropylene-g-Polyethylene glycol were operated as unmediated and mediated system (with ferrocene and gold/cobalt oxide nanoparticles). Glucose oxidase and bilirubin oxidase was selected as anodic and cathodic enzyme, respectively. Glucose was used as fuel in a single-compartment and membrane-less cell. Maximum power density was obtained as 0.65 nW cm-2, 65 nW cm-2, and 23500 nW cm-2 from the unmediated, ferrocene and gold/cobalt oxide modified polymeric film, respectively. Power density was calculated to be ~16000 nW cm-2 for undiluted wastewater sample with gold/cobalt oxide nanoparticles including system.

Keywords: bilirubin oxidase, enzymatic fuel cell, glucose oxidase, nanoparticles

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Authors: Mahan Qwamizadeh, Kun Zhou, Zuoqi Zhang, Yong Wei Zhang

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Typical load-bearing biological materials like bone, mineralized tendon and shell, are biocomposites made from both organic (collagen) and inorganic (biomineral) materials. This amazing class of materials with intrinsic internally designed hierarchical structures show superior mechanical properties with regard to their weak components from which they are formed. Extensive investigations concentrating on static loading conditions have been done to study the biological materials failure. However, most of the damage and failure mechanisms in load-bearing biological materials will occur whenever their structures are exposed to dynamic loading conditions. The main question needed to be answered here is: What is the relation between the layout and architecture of the load-bearing biological materials and their dynamic behavior? In this work, a staggered model has been developed based on the structure of natural materials at nanoscale and Finite Element Analysis (FEA) has been used to study the dynamic behavior of the structure of load-bearing biological materials to answer why the staggered arrangement has been selected by nature to make the nanocomposite structure of most of the biological materials. The results showed that the staggered structures will efficiently attenuate the stress wave rather than the layered structure. Furthermore, such staggered architecture is effectively in charge of utilizing the capacity of the biostructure to resist both normal and shear loads. In this work, the geometrical parameters of the model like the thickness and aspect ratio of the mineral inclusions selected from the typical range of the experimentally observed feature sizes and layout dimensions of the biological materials such as bone and mineralized tendon. Furthermore, the numerical results validated with existing theoretical solutions. Findings of the present work emphasize on the significant effects of dynamic behavior on the natural evolution of load-bearing biological materials and can help scientists to design bioinspired materials in the laboratories.

Keywords: load-bearing biological materials, nanostructure, staggered structure, stress wave decay

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Authors: Kerkouri Abdelkadir

Abstract:

Numerical calculations of turbulent flows are one of the most prominent modern interests in various engineering applications. Due to the difficulty of predicting, following up and studying this flow for computational fluid dynamic (CFD), in this paper, we simulated numerical study of a flow past in a staggered tube bundle, using CFD Code ANSYS FLUENT with several models of turbulence following: k-ε, k-ω and SST approaches. The flow is modeled based on the experimental studies. The predictions of mean velocities are in very good agreement with detailed LDA (Laser Doppler Anemometry) measurements performed in 8 stations along the depth of the array. The sizes of the recirculation zones behind the cylinders are also predicted. The simulations are conducted for Reynolds numbers of 12858. The Reynolds number is set to depend experimental results.

Keywords: flow, tube bundle, ANSYS Fluent, CFD, turbulence, LDA, RANS (k-ε, k-ω, SST)

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Authors: L. Adjlout, N.Benharrat, O. Ladjdel, F. Djemil, A. Adjlout, T. Yahiaoui

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The present investigation is an experimental and numerical studies of the turbulence level influence on the flow in a smooth staggered tube bundle. The experiments were carried out in a closed circuit wind tunnel of subsonic type (TE44). Three turbulence levels at the inlet namely 1%, 4.6% and 6.3% and two Reynolds numbers Re = 9300 and Re = 13950 were performed. The obtained results for the central tube show that there are two minimum values for the angles 70° and 280° corresponding to the separation points. The pressure coefficient distributions seem to have constant values between 120° and 240° resulting in Von Karman street configuration in the wake. These remarks were valid for the tests carried out. The numerical study was performed by the ANSYS FLUENT code which solves the averaged Navier-Stokes equations (RANS). Two turbulence models (k-ε RNG and k-ε realizable), two types of grids and two levels of turbulence at the entrance of 4.6% and 6.3% for Reynolds numbers of 9300 and 13950 were considered. The obtained results for the central tube were compared with the present experimental results. It is concluded that the K-ε realizable is more suitable for the pressure distribution prediction than the K-ε RNG model compared to the present experimental results for this studied case.

Keywords: tube bundle, staggered configuration, turbulence level, numerical, experimental

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Authors: S. Pooja Pragati, B. Sudarsan, S. Raj Kumar

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This paper provides a practical design of a new concept of massive Induced Drag reductions of stream vise staggered multiple winglets. It is designed to provide an optimum performance of a winglet from conventional designs. In preparing for a mechanical design, aspects such as shape, dimensions are analyzed to yield a huge amount of reduction in fuel consumption and increased performance. Owing to its simplicity of application and effectiveness we believe that it will enable us to consider its enhanced version for the grid effect of the staggered multiple winglets on the deflected mass flow of the wing system. The objective of the analysis were to compare the aerodynamic characteristics of two winglet configuration and to investigate the performance of two winglets shape simulated at selected cant angle of 0,45,60 degree.

Keywords: multiple winglets, induced drag, aerodynamics analysis, low speed aircrafts

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Authors: Suresh Sahu, Abhijeet M. Vaidya, Naresh K. Maheshwari

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The efforts to understand the heat transfer behavior of supercritical water in supercritical water cooled reactor (SCWR) are ongoing worldwide to fulfill the future energy demand. The higher thermal efficiency of these reactors compared to a conventional nuclear reactor is one of the driving forces for attracting the attention of nuclear scientists. In this work, a solution procedure has been described for solving supercritical fluid flow problems in complex geometries. The solution procedure is based on non-staggered grid. All governing equations are discretized by finite volume method (FVM) in curvilinear coordinate system. Convective terms are discretized by first-order upwind scheme and central difference approximation has been used to discretize the diffusive parts. k-ε turbulence model with standard wall function has been employed. SIMPLE solution procedure has been implemented for the curvilinear coordinate system. Based on this solution method, 3-D Computational Fluid Dynamics (CFD) code has been developed. In order to demonstrate the capability of this CFD code in supercritical fluid flows, heat transfer to supercritical water in circular tubes has been considered as a test problem. Results obtained by code have been compared with experimental results reported in literature.

Keywords: curvilinear coordinate, body-fitted mesh, momentum interpolation, non-staggered grid, supercritical fluids

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Authors: Syukri Himran, Rustan Taraka, Anto Duma

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The aim of the study is to improve the understanding of latent and sensible thermal energy storage within a paraffin wax media by an array of cylindrical tubes arranged both in in-line and staggered layouts. An analytical and experimental study was carried out in a horizontal shell-and-tube type system during the melting process. Pertamina paraffin-wax was used as a phase change material (PCM), where as the tubes are embedded in the PCM. From analytical study we can obtain the useful information in designing a thermal energy storage such as : the motion of interface, amount of material melted at any time in the process, and the heat storage characteristic during melting. The use of staggered tubes is proposed as superior to in-line layout for thermal storage. The experimental study was used to verify the validity of the analytical predictions. From the comparisons, the analytical and experimental data are in a good agreement.

Keywords: latent, sensible, paraffin-wax, thermal energy storage, conduction, natural convection

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Authors: H. Abu-Ali, A. Nabok, T. Smith

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Aptamers are single-strand of DNA or RNA nucleotides sequence which is designed in vitro using selection process known as SELEX (systematic evolution of ligands by exponential enrichment) were developed for the selective detection of many toxic materials. In this work, we have developed an electrochemical biosensor for highly selective and sensitive detection of Hg2+ and Pb2+ using a specific aptamer probe (SAP) labelled with ferrocene (or methylene blue) in (5′) end and the thiol group at its (3′) termini, respectively. The SAP has a specific coil structure that matching with G-G for Pb2+ and T-T for Hg2+ interaction binding nucleotides ions, respectively. Aptamers were immobilized onto surface of screen-printed gold electrodes via SH groups; then the cyclic voltammograms were recorded in binding buffer with the addition of the above metal salts in different concentrations. The resulted values of anode current increase upon binding heavy metal ions to aptamers and analyte due to the presence of electrochemically active probe, i.e. ferrocene or methylene blue group. The correlation between the anodic current values and the concentrations of Hg2+ and Pb2+ ions has been established in this work. To the best of our knowledge, this is the first example of using a specific DNA aptamers for electrochemical detection of heavy metals. Each increase in concentration of 0.1 μM results in an increase in the anode current value by simple DC electrochemical test i.e (Cyclic Voltammetry), thus providing an easy way of determining Hg2+ and Pb2+concentration.

Keywords: aptamer, based, biosensor, DNA, electrochemical, highly, specific

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Authors: Kewei Fan, Sihong Liu, Yi Pik Cheng

Abstract:

This paper aims to analyse the failure behaviour of the retaining wall constructed with soil bags that are formed by filling river sand into woven bags (geosynthetics). Model tests were conducted to obtain the failure mode of the wall, and shear tests on two-layers and five-layers of soil bags were designed to investigate the mechanical characteristics of the interface of soil bags. The test results show that the slip surface in the soil bags-constructed retaining wall is ladder-like due to the inter-layer insertion of soil bags, and the wall above the ladder-like surface undergoes a rigid body translation. The insertion strengthens the shear strength of two-layer staggered-stacked soil bags. Meanwhile, it affects the shape of the slip surface of the five-layer staggered-stacked soil bags. Finally, the interlayer resisting friction of soil bags is found to be related to the shape of the slip surface.

Keywords: geosynthetics, retaining wall, soil bag, failure mode, interface, shear strength

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Authors: G. Ravindranath, S. Savitha

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This paper presents heat transfer analysis of single horizontal bare tube and heat transfer analysis of staggered arrangement of bare tube bundles bare tube bundles in gas-solid (air-solid) fluidized bed and predictions are done by using Artificial Neural Network (ANN) based on experimental data. Fluidized bed provide nearly isothermal environment with high heat transfer rate to submerged objects i.e. due to through mixing and large contact area between the gas and the particle, a fully fluidized bed has little temperature variation and gas leaves at a temperature which is close to that of the bed. Measurement of average heat transfer coefficient was made by local thermal simulation technique in a cold bubbling air-fluidized bed of size 0.305 m. x 0.305 m. Studies were conducted for single horizontal Bare Tube of length 305mm and 28.6mm outer diameter and for bare tube bundles of staggered arrangement using beds of large (average particle diameter greater than 1 mm) particle (raagi and mustard). Within the range of experimental conditions influence of bed particle diameter ( Dp), Fluidizing Velocity (U) were studied, which are significant parameters affecting heat transfer. Artificial Neural Networks (ANNs) have been receiving an increasing attention for simulating engineering systems due to some interesting characteristics such as learning capability, fault tolerance, and non-linearity. Here, feed-forward architecture and trained by back-propagation technique is adopted to predict heat transfer analysis found from experimental results. The ANN is designed to suit the present system which has 3 inputs and 2 out puts. The network predictions are found to be in very good agreement with the experimental observed values of bare heat transfer coefficient (hb) and nusselt number of bare tube (Nub).

Keywords: fluidized bed, large particles, particle diameter, ANN

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Authors: Nathan Estrada, Fangjun Shu, Yanxing Wang

Abstract:

The heat and mass transfer characteristics of a simple shear flow over a surface covered with staggered herringbone structures are numerically investigated using the lattice Boltzmann method. The focus is on the effect of ridge angle of the structures on the enhancement of heat and mass transfer. In the simulation, the temperature and mass concentration are modeled as a passive scalar released from the moving top wall and absorbed at the structured bottom wall. Reynolds number is fixed at 100. Two Prandtl or Schmidt numbers, 1 and 10, are considered. The results show that the advective scalar transport plays a more important role at larger Schmidt numbers. The fluid travels downward with higher scalar concentration into the grooves at the backward grove tips and travel upward with lower scalar concentration at the forward grove tips. Different tile angles result in different flow advection in wall-normal direction and thus different heat and mass transport efficiencies. The maximum enhancement is achieved at an angle between 15o and 30o. The mechanism of heat and mass transfer is analyzed in detail.

Keywords: fluid mechanics, heat and mass transfer, microfluidics, staggered herringbone mixer

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Authors: M. Arunachalam, M. Pandey

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Nacre, a biological material that forms the inner-layer of sea shells can achieve high toughness and strength by way of staggered arrangement of strong tablets with soft and weak organic interface. Under applied loads the tablets slide over the adjacent tablets, thus generating inelastic deformation and toughness on macroscopic scale. A two dimensional finite element based homogenization methodology is adopted for obtaining the effective material properties of Nacre using a representative volume element (RVE) at finite deformations. In this work, the material behaviour for tablet and interface are assumed to be Isotropic elastic and Isotropic elastic-perfectly plastic with strain softening respectively. Numerical experiments such as uniaxial tension test along X, Y directions and simple shear test are performed on the RVE with uniform displacement and periodic constraints applied at the RVE boundaries to obtain the anisotropic homogenized response and maximum local stresses within each constituents of Nacre. Homogenized material model is then tested for macroscopic structure under three point bending condition and the results obtained are comparable with the results obtained for detailed microstructure based structure, thus homogenization provides a bridge between macroscopic scale and microscopic scale and homogenized material properties obtained from microstructural (RVE) analysis could be used in large scale structural analysis.

Keywords: finite element, homogenization, inelastic deformation, staggered arrangement

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Authors: Sayed Ahmed El Sayed, Osama M. Mesalhy, Mohamed A. Abdelatief

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A numerical study has been conducted to clarify fluid flow characteristics, pressure distributions, and skin friction coefficient over a wing-shaped tubes bundle in staggered arrangement with the placement of longitudinal fins (LF) at downstream position of the tube. The air-side Rea were at 1.8 x 103 to 9.7 x 103. The tubes bundle were employed with various fin height [hf] and fin thickness (δ) from (2 mm ≤ hf ≤ 12 mm) and (1.5 mm ≤ δ ≤ 3.5 mm) respectively at the considered Rea range. The flow pattern around the staggered wing-shaped tubes bundle was predicted using the commercial CFD FLUENT 6.3.26 software package. The distribution of average skin friction coefficient around wing-shaped tubes bundle is studied. Correlation of pressure drop coefficient Pdc and skin friction coefficient (Cf) in terms of Rea, design parameters for the studied cases were presented. Results indicated that the values of Pdc for hf = 6 mm are lower than these of NOF and hf = 2 mm by about 11 % and 13 % respectively for considered Rea range. Cf decreases as Rea increases. LFTH with hf = 6 mm offers lower form drag than that with hf = 12 mm and that of NOF. The lowest values of the pumping power are achieved for arrangements of hf = 6 mm for the considered Rea range. δ has negligible effect on skin friction coefficient, while has a slightly variation in ∆Pa. The wing-shaped tubes bundle heat exchanger with hf = 6 mm has the lowest values of ∆Pa, Pdc, Cf, and pumping power and hence the best performance comparing with the other bundles. Comparisons between the experimental and numerical results of the present study and those obtained by similar previous studies showed good agreements.

Keywords: longitudinal fins, skin friction, flow characteristics, FLUENT, wing-shaped tubes

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Authors: Annunziata D’Orazio, Arash Karimipour, Iman Moradi

Abstract:

The size and arrangement of the obstacles in the porous media has an influential effect on the fluid flow and heat transfer, even in the same porosity. Regarding to this, in the present study, several different amounts of obstacles, in both regular and stagger arrangements, in the analogous porosity have been simulated through a channel. In order to compare the effect of stagger and regular arrangements, as well as different quantity of obstacles in the same porosity, on fluid flow and heat transfer. In the present study, the Single Relaxation Time Lattice Boltzmann Method, with Bhatnagar-Gross-Ktook (BGK) approximation and D2Q9 model, is implemented for the numerical simulation. Also, the temperature field is modeled through a Double Distribution Function (DDF) approach. Results are presented in terms of velocity and temperature fields, streamlines, percentage of pressure drop and Nusselt number of the obstacles walls. Also, the correlation between tortuosity and Nusselt number of the obstacles walls, for both regular and staggered arrangements, has been proposed. On the other hand, the results illustrated that by increasing the amount of obstacles, as well as changing their arrangement from regular to staggered, in the same porosity, the rate of tortuosity and Nusselt number of the obstacles walls increased.

Keywords: lattice boltzmann method, heat transfer, porous media, pore-scale, porosity, tortuosity

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Authors: Hossain Samani, Mohammad Ehteram

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In this paper, we consider finite volume method (FVM) in water hammer. We will simulate these techniques on a looped network with complex boundary conditions. After comparing methods, we see the FVM method as the best method. We compare the results of FVM with experimental data. Finite volume using staggered grid is applied for solving water hammer equations.

Keywords: hydraulic transient, water hammer, interpolation, non-liner interpolation

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Authors: Blessing Atim Aderibigbe

Abstract:

A series of amine/ester-linked hybrid compounds containing pharmacophores, such as ursolic acid, oleanolic acid, ferrocene and bisphosphonates, were synthesized in an attempt to develop potent antibacterial and anticancer agents. Their structures were analyzed and confirmed using Nuclear Magnetic Resonance, Fourier Transform Infrared Spectroscopy, and mass spectroscopy. All the synthesized hybrid compounds were evaluated for their antibacterial activities against eleven selected bacterial strains using a serial dilution method. Some of the compounds displayed significant antibacterial activity against most of the bacterial and fungal strains. In addition, the in vitro cytotoxicity of these compounds was also performed against selected cancer cell lines. Some of the compounds were also found to be more active than their parent compounds, revealing the efficacy of designing hybrid molecules using plant-based bioactive agents.

Keywords: ursolic acid, hybrid drugs, oleanolic acid, bisphosphonates

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Authors: H. Al-Hajeri

Abstract:

The computation of the effectiveness of turbulence enhancement surface features, such as ribs as means of promoting mixing and hence heat transfer, has attracted the continued attention of the engineering community. In this study, the simulation of a three-dimensional cooling passage is carried out employing a number of turbulence models including Durbin model. The cooling passage consists of a square section duct whose upper and lower surfaces feature staggered cuboid ribs. The main objective of this paper is to provide comparisons of the performance of the v2-f model against other established turbulence models as implemented in the commercial CFD code Ansys Fluent. The present study demonstrates that the v2-f model can successfully capture the isothermal air flow phenomena in flow over obstacles.

Keywords: CFD, cooling passage, Durbin model, turbulence model

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Authors: Scott Staring

Abstract:

This paper critically examines the claim that Canada represents a uniquely ‘postnational’ model of political existence. Canadian political thinkers and politicians alike have played a role in casting their country as the vanguard of an order wherein national sovereignty is gradually being eclipsed, while political authority is increasingly integrated at the international level. Proponents of this view frequently cite as evidence Canada’s high number of foreign-born citizens, its official policy of multiculturalism, its ready embrace of international institutions, and its enthusiasm for international trade deals like NAFTA, CETA and the TPP. This paper builds on historical research to show that the postnationalist thesis has precedents in a Whig-inspired view of Canada that has long challenged the role of a strong central state in the country. An alternative portrait of Canada will be put forward, one that contests both the historical evidence for the Whig view as well as its theoretical presuppositions. The claim will be made that Canada’s celebrated diversity and openness is not the product of a nation-state in retreat; instead, it is largely the product of a strong and sovereign state that has intervened to create a sense of a shared concern amongst its citizens. Canada does indeed offer the world a model of cosmopolitanism, but it is a model that is rooted in the nation-state rather than its eclipse.

Keywords: Canada, cosmopolitanism, postnationalism, statism

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Authors: Littlelet N. Scarlet, Kamaluddin Abdur-Rashid, Paul T. Maragh, Tara Dasgupta

Abstract:

Aminophosphines are a privileged class of ancillary ligands with emerging importance in homogeneous catalysis. The unique combination of soft phosphorus (P) and hard nitrogen (N) centres affords a variety of transition metal complexes as potential pre-catalysts for synthetically useful reactions. Herein three ligand systems will be reported; two bidentate ligands - (S)-8-(diphenyl-phosphino)-1,2,3,4-tetrahydronaphthalen-1-amine, (S)THNANH2, and (Rc)-1-((Sp)-2-diphenylphosphino) ferrocenylethylamine, (RcSp)PPFNH2 - and a tridentate (Rc)-1-((Sp)-2-diphenylphosphino) ferrocenylimino-pyridine, (RcSp)PPFNNH2 ligand; the latter prepared from the condensation of selected ferrocene aminophosphines with pyridine-2-carboxaldehyde. Suitable combinations of these aminophosphine ligands with ruthenium precursors have afforded highly efficient systems for the asymmetric hydrogenation and transfer hydrogenation of selected ketones in 2-propanol. The Ru-(S)THNANH2 precatalyst was the most efficient in the asymmetric hydrogenation of selected ketones with 100% conversions within 4 hours at a catalyst loading of 0.1 mol%. The Ru-(RcSp)PPFNNH2 precatalyst was the most efficient in the asymmetric transfer hydrogenation of the ketones with conversions as high as 98% with 0.1 mol% catalyst. However, the enantioselectivities were generally low.

Keywords: aminophosphine, asymmetric hydrogenation, homogeneous catalysis, ruthenium (II), transfer hydrogenation

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Authors: Kingsley Okoro Nwannennaya

Abstract:

The 21st century seems to have been eclipsed by social conflict, giving vent to a mentality construct that accepts conflict as inextricable part of the social system. This is justified by the escalation of conflict in all the zones of the world. We therefore, query whether a peaceful society is a mere illusion? It is in an attempt to give lucid answer to this question that the researcher began critical investigations on various peace building and conflict management models. Here the researcher discovered that these models as good as they may be have not addressed the root of conflicts which revolves on the social structure in place in any society. Hence the current social structure is organized around class system, which gave birth to competition, greed, selfishness, power struggle etc. and also promotes mono-culture based on Euro-American traditions. This placed some cultures on a disadvantageous position, with conflict as its outgrowth. However, the researcher being interested to finding a peace building and conflict management model that will address this gap discovered that Taoism has the seed that can offer the world the desired peace. This tradition anchors on the principles of Tao, Yin-yang and Wu-wei. Basic to the trio concepts are the idea of Pluralism, non-interference, non-action and flowing with the order of nature. This paper, having adopted, historical and sociological methods of investigations opines that if Taoist tradition shall be adopted as a peace building model, the desired peace of our dream shall soon become a reality.

Keywords: critical option, oriental traditions, peace initiative, taoism

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Authors: M. H. Alhajeri, Hamad M. Alhajeri, A. H. Alenezi

Abstract:

Computational fluid dynamics (CFD) investigation of heat transfer in U-duct with turbulators is presented in this paper. The duct passages used to cool internally the blades in gas turbine. The study is focused in the flow behavior and the Nusselt number (Nu) distributions. The model of the u-duct contains two square legs that are connected by 180* turn. Four turbulators are located in each surface of the leg and distributed in a staggered arrangement. The turbulator height and width are equal to 0.1 of the duct width, and the turbulator height is 0.1 of the distance between the turbulators. The Reynolds number (Re) used in this study is 95000 and the inlet velocity is 10 m/s. It was noticed that, after the flow resettles from the interruptions generated by the first turbulator or the turn, the flow construct two eddies, one large and the other is small after and before the turbulator, respectively. The maximum values of the Nu are found at a distance of approximately one turbulator width w before of the flow reattachment point.

Keywords: computational fluid dynamics, CFD, rib, heat transfer, blade

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Authors: Sean Roy, Mercedes Miller

Abstract:

A study was conducted to assess the positive outcomes related to Filipino human trafficking survivors working at a social enterprise. As most existing research on human survivors pertains to the adverse outcomes of victims, the researchers were seeking to fill the dearth of existing data related to positive outcomes. A quantitative study was conducted using a convenience sample of 41 participants within three staggered cohorts of the social enterprise. A Kruskal-Wallis H test was conducted and indicated that participants in the third cohort (who were employed at the social enterprise the longest) had significantly lower anxiety scores than participants in other cohorts. This study indicates that social enterprises hold the promise of positively impacting anxiety of human trafficking survivors and provides a starting point for researchers looking to assess ways to positively influence the lives of survivors.

Keywords: human trafficking, Philippines, quantitative analysis, self-identity

Procedia PDF Downloads 140