Search results for: Intramolecular hydrogen bond

Authors: A. Zanj, F. He

Abstract:

In the current paper, a domain independent conduction model compatible for multi-physical system dynamic investigations is suggested. By means of a port-based approach, a classical nonlinear conduction model containing physical states is first represented. A compatible discrete configuration of the thermal domain in line with the elastic domain is then generated through the enhancement of the configuration of the conventional thermal element. The presented simulation results of a sample structure indicate that the suggested conductive model can cover a wide range of dynamic behavior of the thermal domain.

Keywords: Multi-physical domain, conduction model, port-based modeling, dynamic interaction, physical modeling.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1256

Authors: A. M. Tahsini

Abstract:

Supersonic hydrogen-air cylindrical mixing layer is numerically analyzed to investigate the effect of inlet swirl on ignition time delay in scramjets. Combustion is treated using detail chemical kinetics. One-equation turbulence model of Spalart and Allmaras is chosen to study the problem and advection upstream splitting method is used as computational scheme. The results show that swirling both fuel and oxidizer streams may drastically decrease the ignition distance in supersonic combustion, unlike using the swirl just in fuel stream which has no helpful effect.

Keywords: Ignition delay, Supersonic combustion, Swirl, Numerical simulation, Turbulence.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2148

Authors: Joon Ho Kim, Tae Kwon Ha

Abstract:

Effect of aging treatment on microstructural aspects of interfacial layers of the Cu/Al clad sheet produced by differential speed rolling (DSR) process were studied by electron back scattered diffraction (EBSD). Clad sheet of Al/Cu has been fabricated by using DSR, which caused severe shear deformation between Al and Cu plate to easily bond to each other. Rolling was carried out at 100^oC with speed ratio of 2, in which the total thickness reduction was 45%. Interface layers of clad sheet were analyzed by EBSD after subsequent annealing at 400^oC for 30 to 120min. With increasing annealing time, thickness of interface layer and fraction of high angle grain boundary were increased and average grain size was decreased.

Keywords: Aluminum/Copper clad sheet, differential speed rolling, interface layer, microstructure, annealing, electron back scattered diffraction.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2043

Authors: Shatirah Akib, Teuku K. Syamsura, S.M. Shirazi, Moatasem M. Fayyadh, Budhi Primasari

Abstract:

The purpose of this paper is to summarize the following protection of scouring countermeasures by using Bentonite-Enhanced Sand (BES) mixtures. The concept of underground improvement is being used in this study to reduce the void of the sand. The sand bentonite mixture was used to bond the ground soil conditions surrounding the pile of integral bridge. The right composition of sand bentonite mixture was proposed based on previous findings. The swelling effect of bentonite also was investigated to ensure there is no adverse impact to the structure of the integral bridge. ScourScour, another name for severe erosion, occurs when the erosive capacity of water resulting from natural and manmade events exceeds the ability of earth materials to resist its effects. According to AASHTO LRFD Specifications (Section C3.7.5), scour is the most common reason for the collapse of highway bridges in the United States

Keywords: bentonite, integral bridge, possible protection, scouring

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1736

Authors: Rachid El Aidani, Phuong Nguyen-Tri, Toan Vu-Khanh

Abstract:

This study intends to show the influence of the hydrolytic degradation on the properties of the e-PTFE/NOMEX® membranes used in fire-protective clothing. The modification of water vapour permeability, morphology and chemical structure was examined by MOCON Permatran, electron microscopy scanning (SEM), and ATR-FTIR, respectively. A decrease in permeability to water vapour of the aged samples was observed following closure of transpiration pores. Analysis of fiber morphology indicates the appearance of defects at the fibers surface with the presence of micro cavities. ATR-FTIR analysis reveals the presence of a new absorption band attributed to carboxylic acid terminal groups generated during the amide bond hydrolysis.

Keywords: Hydrolytic ageing, moisture membrane; water vapor permeability, morphology.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2317

Authors: Muhammad E. Rahman, Paul J. Fanning

Abstract:

Many single or multispan arch bridges are strengthened with the addition of some kind of structural support between adjacent arches of multispan or beside the arch barrel of a single span to increase the strength of the overall structure. It was traditionally formed by either placing loose rubble masonry blocks between the arches and beside the arches or using mortar or concrete to construct a more substantial structural bond between the spans. On the other hand backing materials are present in some existing bridges. Existing arch assessment procedures generally ignore the effects of backing materials. In this paper an investigation of the effects of backing on ratings for masonry arch bridges is carried out. It is observed that increasing the overall lateral stability of the arch system through the inclusion of structural backing results in an enhanced failure load by reducing the likelihood of any tension occurring at the top of the arch.

Keywords: Arch, Backing, Bridge, Masonry

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2198

Authors: Ali Samadi Afshar, Hamed Harrafi, S.M.Javad Gharib Zahedi

Abstract:

IFP Group Technology “Sulfrex process" was used in Iran-s South Pars Gas Complex Refineries for removing sulfur compounds such as mercaptans, carbonyl sulfide and hydrogen sulfide, which uses sulfonated cobalt phthalocyanine dispersed in alkaline solution as catalyst. In this technology, catalyst and alkaline solution were used circularly. However the stability of catalyst due to effect of some parameters would reduce with the running of the unit and therefore sweetening efficiency would be decreased. Hence, the aim of this research is study the factors effecting on the stability of catalyst.

Keywords: sulfonated cobalt phthalocyanine, mercaptans, stability, catalyst, sulfur.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2449

Authors: S. Yaglikci, B. Salgara, F. Soysal, B. Cicek

Abstract:

Chemical vapor deposition method was used to produce carbon nanotubes on an iron based catalyst from acetylene. Gas-phase samples collected from the different positions of the tubular reactor were analyzed by GC/MS. A variety of species ranging from hydrogen to naphthalene were observed and changes in their concentrations were plotted against the reactor position. Briefly benzene, toluene, styrene, indene and naphthalene were the main higher molecular weight species and vinylacetylene and diacetylene were the important intermediates. Nanotube characterization was performed by scanning electron microscopy and transmission electron microscopy.

Keywords: Carbon nanotubes, chemical vapor deposition, GC/MS, species profile

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1834

Authors: Ahtesham Javaid, Costin S. Bildea

Abstract:

The design and plantwide control of an integrated plant where the endothermic 1,4-butanediol dehydrogenation and the exothermic furfural hydrogenation is simultaneously performed in a single reactor is studied. The reactions can be carried out in an adiabatic reactor using small hydrogen excess and with reduced parameter sensitivity. The plant is robust and flexible enough to allow different production rates of γ-butyrolactone and 2-methyl furan, keeping high product purities. Rigorous steady state and dynamic simulations performed in AspenPlus and AspenDynamics to support the conclusions.

Keywords: Dehydrogenation and hydrogenation, Reaction coupling, Design and control, Process integration.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4705

Authors: Sunil Dehipawala, Aregama Sirisumana, P. Schneider, G. Tremberger Jr, D. Lieberman, Todd Holden T. Cheung

Abstract:

The arsenic and iron environments in different growth stages have been studied with EXAFS and XANES using Brookhaven Synchrotron Light Source. Collard Greens plants were grown and tissue samples were harvested. The project studied the EXAFS and XANES of tissue samples using As and Fe K-edges. The Fe absorption and the Fourier transform bond length information were used as a control comparison. The Fourier transform of the XAFS data revealed the coexistence of As (III) and As (V) in the As bonding environment inside the studied plant tissue samples, although the soil only had As (III). The data suggests that Collard Greens has a novel pathway to handle arsenic absorption in soil.

Keywords: EXAFS, Fourier Transform, metalloproteins, XANES.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1887

Authors: Sh. Shahhosseini, S. Alinia, M. Irani

Abstract:

In this paper 2D Simulation of catalytic Fixed Bed Reactor in Fischer-Tropsch Synthesis of GTL technology has been performed utilizing computational fluid dynamics (CFD). Synthesis gas (a mixture of carbon monoxide and hydrogen) has been used as feedstock. The reactor was modeled and the model equations were solved employing finite volume method. The model was validated against the experimental data reported in literature. The comparison showed a good agreement between simulation results and the experimental data. In addition, the model was applied to predict the concentration contours of the reactants and products along the length of reactor.

Keywords: GTL, Fischer–Tropsch synthesis, Fixed Bed Reactor, CFD simulation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2873

Authors: L. Lancaster, M. H. Lung, D. Sujan

Abstract:

The application of agro-industrial waste in Aluminum Metal Matrix Composites has been getting more attention as they can reinforce particles in metal matrix which enhance the strength properties of the composites. In addition, by applying these agroindustrial wastes in useful way not only save the manufacturing cost of products but also reduce the pollutions on environment. This paper represents a literature review on a range of industrial wastes and their utilization in metal matrix composites. The paper describes the synthesis methods of agro-industrial waste filled metal matrix composite materials and their mechanical, wear, corrosion, and physical properties. It also highlights the current application and future potential of agro-industrial waste reinforced composites in aerospace, automotive and other construction industries.

Keywords: Bond layer, Interfacial shear stress, Bi-layered assembly, Thermal mismatch, Flip Chip Ball Grid Array.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4527

Authors: K. Abbas, R. Ahmad, I. A. Khan, S. Saleem, U. Ikhlaq

Abstract:

Nitriding of p-type Si samples by pulsed DC glow discharge is carried out for different Ar concentrations (30% to 90%) in nitrogen-argon plasma whereas the other parameters like pressure (2 mbar), treatment time (4 hr) and power (175 W) are kept constant. The phase identification, crystal structure, crystallinity, chemical composition, surface morphology and topography of the nitrided layer are studied using X-ray diffraction (XRD), Fourier transform infra-red spectroscopy (FTIR), optical microscopy (OM), scanning electron microscopy (SEM) and atomic force microscopy (AFM) respectively. The XRD patterns reveal the development of different diffraction planes of Si₃N₄ confirming the formation of polycrystalline layer. FTIR spectrum confirms the formation of bond between Si and N. Results reveal that addition of Ar into N₂ plasma plays an important role to enhance the production of active species which facilitate the nitrogen diffusion.

Keywords: Crystallinity, glow discharge, nitriding, sputtering.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1480

Authors: Supriyono, Sumardiyono

Abstract:

Biodiesel is one of the alternative fuels that promising for substituting petro diesel as energy source which is advantage on sustainability and ecofriendly. Due to the raw material that tend to decompose during storage, biodiesel also have the same characteristic that tend to decompose and formed higher acid value which is the result of oxidation to double bond on a chain of ester. Decomposition of biodiesel due to oxidation reaction could prevent by introduce a small amount of antioxidant. The origin of raw materials and the process for producing biodiesel will determine the effectiveness of antioxidant. The quality degradation on biodiesel could evaluate by measuring iodine value and acid number of biodiesel. Biodiesel made from high fatty acid Jatropha curcas oil by using esterification and transesterification process will stand on the quality by introduce 90 ppm pyrogallol powder on the biodiesel, which could increase Induction period time from 2 hours to more than 6 hours in rancimat test evaluation.

Keywords: Acid value, antioxidant, biodiesel, iodine value.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2240

Authors: Tae Yun Chung, Jungho Moon, Tae Kwon Ha

Abstract:

Al/Cu clad sheet has been fabricated by using differential speed rolling (DSR) process, which caused severe shear deformation between Al and Cu plate to easily bond to each other. Rolling was carried out at 100 and 150oC with speed ratios from 1.4 to 2.2, in which the total thickness reduction was in the range between 14 and 46%. Interfacial microstructure and mechanical properties of Al/Cu clad were investigated by scanning electron microscope equipped with energy dispersive X-ray detector, and tension tests. The DSR process was very effective to provide a good interface for atoms diffusion during subsequent annealing. The strength of bonding was higher with the increasing speed ratio. Post heat treatment enhanced the mechanical properties of clad sheet by forming intermetallic compounds in the interface area. 

Keywords: Aluminum/Copper clad sheet, Differential speed rolling, Interface microstructure, Annealing, Tensile test.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2310

Authors: V. Spaeth, A. Djerbi-Tegguer

Abstract:

The recycling of concrete, bricks and masonry rubble as concrete aggregates is an important way to contribute to a sustainable material flow. However, there are still various uncertainties limiting the widespread use of Recycled Concrete Aggregates (RCA). The fluctuations in the composition of grade recycled aggregates and their influence on the properties of fresh and hardened concrete are of particular concern regarding the use of RCA. Most of problems occurring while using recycled concrete aggregates as aggregates are due to higher porosity and hence higher water absorption, lower mechanical strengths, residual impurities on the surface of the RCA forming weaker bond between cement paste and aggregate. So, the reuse of RCA is still limited. Efficient polymer based treatment is proposed in order to reuse RCA easier. The silicon-based polymer treatments of RCA were carried out and were compared. This kind of treatment can improve the properties of RCA such as the rate of water absorption on treated RCA is significantly reduced.

Keywords: Recycled concrete aggregates, water absorption, silicon-based agent and polymer.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2762

Authors: Maria D. Nikolaki, Katerina N. Zerva, Constantine. J. Philippopoulos

Abstract:

The photochemical and photo-Fenton oxidation of 1,3-dichloro-2-propanol was performed in a batch reactor, at room temperature, using UV radiation, H2O2 as oxidant, and Fenton-s reagent. The effect of the oxidative agent-s initial concentration was investigated as well as the effect of the initial concentration of Fe(II) by following the target compound degradation, the total organic carbon removal and the chloride ion production. Also, from the kinetic analysis conducted and proposed reaction scheme it was deduced that the addition of Fe(II) significantly increases the production and the further oxidation of the chlorinated intermediates.

Keywords: 1, 3-dichloro-2-propanol, hydrogen peroxide, photo- Fenton, UV .

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1662

Authors: H. Ganji, H. R. Mahdipoor, J. Ahmadpanah, H. Naderi

Abstract:

The modified Claus process is the major technology for the recovery of elemental sulfur from hydrogen sulfide. The chemical reactions that can occur in the reaction furnace are numerous and many byproducts such as carbon disulfide and carbon carbonyl sulfide are produced. These compounds can often contribute from 20 to 50% of the pollutants and therefore, should be hydrolyzed in the catalytic converter. The inlet temperature of the first catalytic reactor should be maintained over than 250 °C, to hydrolyze COS and CS2. In this paper, the various configurations for the first converter reheating of sulfur recovery unit are investigated. As a result, the performance of each method is presented for a typical clause unit. The results show that the hot gas method seems to be better than the other methods.

Keywords: Sulfur recovery unit, reaction converter.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2319

Authors: Morteza Farahani, Ahmad Seif, Asadallah Boshra, Hossein Aghaie

Abstract:

Density functional theory (DFT) calculations were performed to calculate aluminum-27, boron-11, and nitrogen-14 quadrupole coupling constant (CQ) in the representative considered model of (6, 0) boron nitride-aluminum nitride nanotube junction (BN-AlNNT) for the first time. To this aim, 1.3 nm length of BNAlN consisting of 18 Al, 18 B, and 36 N atoms was selected where the end atoms capped by hydrogen atoms. The calculated CQ values for optimized BN-AlNNT system reveal different electrostatic environment in the mentioned system. The calculations were performed using the Gaussian 98 package of program.

Keywords: Nanotube Junction, Density functional, Nuclear Quadrupole Resonance.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1677

Authors: S.C. Chin, N. Shafiq, M.F. Nuruddin

Abstract:

To date, theoretical studies concerning the Carbon Fiber Reinforced Polymer (CFRP) strengthening of RC beams with openings have been rather limited. In addition, various numerical analyses presented so far have effectively simulated the behaviour of solid beam strengthened by FRP material. In this paper, a two dimensional nonlinear finite element analysis is presented to validate against the laboratory test results of six RC beams. All beams had the same rectangular cross-section geometry and were loaded under four point bending. The crack pattern results of the finite element model show good agreement with the crack pattern of the experimental beams. The load midspan deflection curves of the finite element models exhibited a stiffer result compared to the experimental beams. The possible reason may be due to the perfect bond assumption used between the concrete and steel reinforcement.

Keywords: CFRP, large opening, RC beam, strengthening

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1763

Authors: Sh. Shahhosseini, S. Alinia, M. Irani

Abstract:

In this work, axisymetric CFD simulation of fixed bed GTL reactor has been conducted, using computational fluid dynamics (CFD). In fixed bed CFD modeling, when N (tube-to-particle diameter ratio) has a large value, it is common to consider the packed bed as a porous media. Synthesis gas (a mixture of predominantly carbon monoxide and hydrogen) was fed to the reactor. The reactor length was 20 cm, divided to three sections. The porous zone was in the middle section of the reactor. The model equations were solved employing finite volume method. The effects of particle diameter, bed voidage, fluid velocity and bed length on pressure drop have been investigated. Simulation results showed these parameters could have remarkable impacts on the reactor pressure drop.

Keywords: GTL Process, Fixed bed reactor, Pressure drop, CFDsimulation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2327

Authors: Javier Rivas, Olga Gimeno, Maria Carbajo, Teresa Borralho

Abstract:

The elimination of ranitidine (a pharmaceutical compound) has been carried out in the presence of UV-C radiation. After some preliminary experiments, it has been experienced the no influence of the gas nature (air or oxygen) bubbled in photolytic experiments. From simple photolysis experiments the quantum yield of this compound has been determined. Two photolytic approximation has been used, the linear source emission in parallel planes and the point source emission in spherical planes. The quantum yield obtained was in the proximity of 0.05 mol Einstein-1 regardless of the method used. Addition of free radical promoters (hydrogen peroxide) increases the ranitidine removal rate while the use of photocatalysts (TiO2) negatively affects the process.

Keywords: Quantum yield, photolysis, ranitidine, watertreatment.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1647

Authors: Aravindkumar B. Harwalkar, S. S. Awanti

Abstract:

Use of fly ash as a supplementary cementing material in large volumes can bring both technological and economic benefits for concrete industry. In this investigation mix proportions for high volume fly ash concrete were determined at cement replacement levels of 50%, 55%, 60% and 65% with low calcium fly ash. Flexural and compressive strengths of different mixes were measured at ages of 7, 28 and 90 days. Flexural strength of composite section prepared from pavement quality and lean high volume fly ash concrete was determined at the age of 28 days. High volume fly ash concrete mixes exhibited higher rate of strength gain and age factors than corresponding reference concrete mixes. The optimum cement replacement level for pavement quality concrete was found to be 60%. The consideration of bond between pavement quality and lean of high volume fly ash concrete will be beneficial in design of rigid pavements.

Keywords: Keywords—Composite section, Compressive strength, Flexural strength, Fly ash.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1911

Authors: K. Y. You, Y. L. Then

Abstract:

In recent years, the hair building fiber has become popular, in other words, it is an effective method which helps people who suffer hair loss or sparse hair since the hair building fiber is capable to create a natural look of simulated hair rapidly. In the markets, there are a lot of hair fiber brands that have been designed to formulate an intense bond with hair strands and make the hair appear more voluminous instantly. However, those products have their own set of properties. Thus, in this report, some measurement techniques are proposed to identify those products. Up to five different brands of hair fiber are tested. The electrostatic and dielectric properties of the hair fibers are macroscopically tested using design DC and high frequency microwave techniques. Besides, the hair fibers are microscopically analysis by magnifying the structures of the fiber using scanning electron microscope (SEM). From the SEM photos, the comparison of the uniformly shaped and broken rate of the hair fibers in the different bulk samples can be observed respectively.

Keywords: Hair fiber, electrostatic, dielectric properties, broken rate, microwave techniques.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3830

Authors: Deepa Govindarajan, Debdut Roy

Abstract:

Pt-Sn catalysts have been prepared using magnesium aluminate as a support with two different Mg/Al ratio. The supports/catalysts have been characterized by N₂-adsorption, XRD, and temperature programmed desorption of NH₃ and thermogravimetry analysis (TGA). The catalysts have been evaluated at 595 ⁰C for the propane dehydrogenation reaction at 0.5 barg pressure using a feed containing pure propane with steam to hydrocarbon ratio of 1 mol/mol and weight hourly space velocity (WHSV) 0.9 h^-1. Chlorine quantification studies have been developed using Carbon-Hydrogen-Nitrogen-Sulphur (CHNS) analyzer. The dechlorinated catalyst with higher alumina content showed better performance (38-43% propane conversion, 91-94% propylene selectivity) in propane conversion and propylene selectivity than Pt-Sn-MG-AL-DC-1 (30-18% propane conversion, 83-90% propylene selectivity).

Keywords: Dehydrogenation, alumina, platinum-tin catalyst, dechlorination.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 669

Authors: Anna Trusek-Holownia, Andrzej Noworyta

Abstract:

Using an enzyme of known specificity the hydrolysis of protein was carried out in a controlled manner. The aim was to obtain oligopeptides being the so-called active peptides or their direct precursors. An original way of expression of the protein hydrolysis kinetics was introduced. Peptide bonds contained in the protein were recognized as a diverse-quality substrate for hydrolysis by the applied protease. This assumption was positively verified taking as an example the hydrolysis of albumin by thermolysin. Peptide linkages for this system should be divided into at least four groups. One of them is a group of bonds non-hydrolyzable by this enzyme. These that are broken are hydrolyzed at a rate that differs even by tens of thousands of times. Designated kinetic constants were k'_F = 10991.4 L/g^.h, k'_M = 14.83L/g^.h, k'_S about 10^-1 L/g^.h for fast, medium and slow bonds, respectively. Moreover, a procedure for unfolding of the protein, conducive to the improved susceptibility to enzymatic hydrolysis (approximately three-fold increase in the rate) was proposed.

Keywords: Peptide bond hydrolysis, kinetics, enzyme specificity, biologically active peptides.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2595

Authors: M. Jahangiri Lahkani, Gh. Ghassemi, N. Sohrabi, N. Rasooli

Abstract:

Geometry optimizations of metal complexes of Salen(bis(Salicylidene)1,2-ethylenediamine) were carried out at HF and DFT methods employing Lanl2DZ basis set. In this work structural, energies, bond lengths and other physical properties between Mn2+,Cu2+ and Ni2+ ions coordinated by salen–type ligands are examined. All calculations were performed using Gaussian 98W program series. To investigate local aromaticities, NICS were calculated at all centers of rings. The higher the band gap indicating a higher global aromaticity. The possible binding energies have been evaluated. We have evaluated Frequencies and Zero-point energy with freq calculation. The NICS(Nucleous Independent Chemical Shift) Results show Ni(II) complexes are antiaromatic and aromaticites of Mn(II) complexes are larger than Cu(II) complexes. The energy Results show Cu(II) complexes are stability than Mn(II) and Ni(II) complexes.

Keywords: Frequency Calculation, Hartree-Fock (HF), Nucleous Independent Chemical Shift (NICS), Salen(bis(Salicylidene)1, 2-ethylenediamine).

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1581

Authors: Mustafa A. Al-Refai

Abstract:

This paper investigates the energy storage  technologies that can potentially enhance the use of solar energy.  Water electrolysis systems are seen as the principal means of  producing a large amount of hydrogen in the future. Starting from the  analysis of the models of the system components, a complete  simulation model was realized in the Matlab-Simulink environment.  Results of the numerical simulations are provided. The operation of  electrolysis and photovoltaic array combination is verified at various  insulation levels. It is pointed out that solar cell arrays and  electrolysers are producing the expected results with solar energy  inputs that are continuously varying.

Keywords: Electrolyzer, Simulink, solar energy, storage system.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 9010

Authors: M. N. Nwodo, Y. P. Cheng, N. H. Minh

Abstract:

In the process of recovering oil in weak sandstone formations, the strength of sandstones around the wellbore is weakened due to the increase of effective stress/load from the completion activities around the cavity. The weakened and de-bonded sandstone may be eroded away by the produced fluid, which is termed sand production. It is one of the major trending subjects in the petroleum industry because of its significant negative impacts, as well as some observed positive impacts. For efficient sand management therefore, there has been need for a reliable study tool to understand the mechanism of sanding. One method of studying sand production is the use of the widely recognized Discrete Element Method (DEM), Particle Flow Code (PFC^3D) which represents sands as granular individual elements bonded together at contact points. However, there is limited knowledge of the particle-scale behavior of the weak sandstone, and the parameters that affect sanding. This paper aims to investigate the reliability of using PFC^3D and a simple Darcy flow in understanding the sand production behavior of a weak sandstone. An isotropic tri-axial test on a weak oil sandstone sample was first simulated at a confining stress of 1MPa to calibrate and validate the parallel bond models of PFC^3D using a 10m height and 10m diameter solid cylindrical model. The effect of the confining stress on the number of bonds failure was studied using this cylindrical model. With the calibrated data and sample material properties obtained from the tri-axial test, simulations without and with fluid flow were carried out to check on the effect of Darcy flow on bonds failure using the same model geometry. The fluid flow network comprised of every four particles connected with tetrahedral flow pipes with a central pore or flow domain. Parametric studies included the effects of confining stress, and fluid pressure; as well as validating flow rate – permeability relationship to verify Darcy’s fluid flow law. The effect of model size scaling on sanding was also investigated using 4m height, 2m diameter model. The parallel bond model successfully calibrated the sample’s strength of 4.4MPa, showing a sharp peak strength before strain-softening, similar to the behavior of real cemented sandstones. There seems to be an exponential increasing relationship for the bigger model, but a curvilinear shape for the smaller model. The presence of the Darcy flow induced tensile forces and increased the number of broken bonds. For the parametric studies, flow rate has a linear relationship with permeability at constant pressure head. The higher the fluid flow pressure, the higher the number of broken bonds/sanding. The DEM PFC^3D is a promising tool to studying the micromechanical behavior of cemented sandstones.

Keywords: Discrete Element Method, fluid flow, parametric study, sand production/bonds failure.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1743

Authors: Sunil Dehipawala, Todd Holden, E. Cheung, Robert Regan, P. Schneider, G. Tremberger Jr, D. Lieberman, T. Cheung

Abstract:

The zinc and iron environments in different growth stages have been studied with EXAFS and XANES with Brookhaven Synchrotron Light Source. Tissue samples included meat, organ, vegetable, leaf, and yeast. The project studied the EXAFS and XANES of tissue samples using Zn and Fe K-edges. Duck embryo samples show that brain and intestine would contain shorter EXFAS determined Zn-N/O bond; as with the cases of fresh yeast versus reconstituted live yeast and green leaf versus yellow leaf. The XANES Fourier transform characteristic-length would be useful as a functionality index for selected types of tissue samples in various physical states. The extension to the development of functional synchrotron imaging for tissue engineering application based on spectroscopic technique is discussed.

Keywords: EXAFS, Fourier Transform, metalloproteins, XANES

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1534