Search results for: quantum calculation

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide

Procedia PDF Downloads 534

Authors: T. J. Hasanova, C. N. Imamalieva

Abstract:

The problem about the movement of the rigid cylinder keeping the vertical position under the influence of running superficial waves in a liquid is considered. The indignation of a falling wave caused by the presence of the cylinder which moves is thus considered. Special decomposition on a falling harmonious wave is used. The problem dares an operational method. For a finding of the original decision, Considering that the image denominator represents a tabular function, Voltaire's integrated equation of the first sort which dares a numerical method is used. Cylinder movement in the continuous environment under the influence of waves is considered in work. Problems are solved by an operational method, thus originals of required functions are looked for by the numerical definition of poles of combinations of transcendental functions and calculation of not own integrals. Using specificity of a task below, Decisions are under construction the numerical solution of the integrated equation of Volter of the first sort that does not create computing problems of the complex roots of transcendental functions connected with search.

Keywords: rigid cylinder, linear interpolation, fluctuations, Voltaire's integrated equation, harmonious wave

Procedia PDF Downloads 308

Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

Procedia PDF Downloads 324

Authors: Amal Maazoun, Abderrazak Mezghani, Ali Ben Moussa

Abstract:

Aerogel consists of a ramified and inter-connected solid skeleton enclosing a very important number of nano-sized pores filled with air that occupies most of the volume and makes very low density. The thermal conductivity of this material can reach lower values than those of any other material, and it changes with the type of the aerogel and its composition. So, in order to explain the causes of the super-insulation of our material and to determine the factors in which depends on its conductivity we used a numerical simulation. We have developed a numerical code that generates random fractal structure of silica aerogel with pre-defined concentration, properties of the backbone and the gas in the pores as well as the size of the particles. The calculation of the conductivity at any point of domain shows that it is not constant and that it depends on the pore size and the location in the pore. A numerical method based on resolution by inversion of block tridiagonal matrices is used to calculate the equivalent thermal conductivity of the whole fractal structure. The average conductivity calculated for each concentration is in good agreement with those of typical aerogels. And we found that the equivalent thermal conductivity of a silica aerogel depends strongly not only on the porosity but also on the tortuosity of the solid backbone.

Keywords: aerogel, fractal structure, numerical study, porous media, thermal conductivity

Procedia PDF Downloads 268

Authors: Ahmed El-Banbi

Abstract:

Several PVT models exist to represent how PVT properties are handled in sub-surface and surface engineering calculations for oil and gas production. The most commonly used models include black oil, modified black oil (MBO), and compositional models. These models are used in calculations that allow engineers to optimize and forecast well and reservoir performance (e.g., reservoir simulation calculations, material balance, nodal analysis, surface facilities, etc.). The choice of which model is dependent on fluid type and the production process (e.g., depletion, water injection, gas injection, etc.). Based on close to 2,000 reservoir fluid samples collected from different basins and locations, this paper presents some conclusions on the occurrence of reservoir fluids. It also reviews the common methods used to classify reservoir fluid types. Based on new criteria related to the production behavior of different fluids and economic considerations, an updated classification of reservoir fluid types is presented in the paper. Recommendations on the use of different PVT models to simulate the behavior of different reservoir fluid types are discussed. Each PVT model requirement is highlighted. Available methods for the calculation of PVT properties from each model are also discussed. Practical recommendations and tips on how to control the calculations to achieve the most accurate results are given.

Keywords: PVT models, fluid types, PVT properties, fluids classification

Procedia PDF Downloads 57

Authors: Latef M. Ali, Farah A. Abed, Zheen L. Mohammed

Abstract:

In this paper, the effect of the Barium fluoride (BaF2) layer on the absorption efficiency of GaAs/InAs nanowire solar cells was investigated using the finite difference time domain (FDTD) method. By inserting the BaF2 as antireflection with the dominant size of 10 nm to fill the space between the shells of wires on the Si (111) substrate. The absorption is significantly improved due to the strong reabsorption of light reflected at the shells and compared with the reference cells. The present simulation leads to a higher absorption efficiency (Qabs) and reaches a value of 97%, and the external quantum efficiencies (EQEs) above 92% are observed. The current density (Jsc) increases by 0.22 mA/cm2 and the open-circuit voltage (Voc) is enhanced by 0.11 mV. it explore the design and optimization of high-efficiency solar cells on low-reflective absorption efficiency of GaAs/InAs using simulation software tool. The changes in the core and shell diameters profoundly affects the generation and recombination process, thus affecting the conversion efficiency of solar cells.

Keywords: nanowire solar cells, absorption efficiency, photovoltaic, band structures, FDTD simulation

Procedia PDF Downloads 34

Authors: Giuseppe Spampinato, Salvatore Curti, Ivana Guarneri, Arcangelo Bruna

Abstract:

This document describes an advanced system and methodology for Cross Traffic Alert (CTA), able to detect vehicles that move into the vehicle driving path from the left or right side. The camera is supposed to be not only on a vehicle still, e.g. at a traffic light or at an intersection, but also moving slowly, e.g. in a car park. In all of the aforementioned conditions, a driver’s short loss of concentration or distraction can easily lead to a serious accident. A valid support to avoid these kinds of car crashes is represented by the proposed system. It is an extension of our previous work, related to a clustering system, which only works on fixed cameras. Just a vanish point calculation and simple optical flow filtering, to eliminate motion vectors due to the car relative movement, is performed to let the system achieve high performances with different scenarios, cameras and resolutions. The proposed system just uses as input the optical flow, which is hardware implemented in the proposed platform and since the elaboration of the whole system is really speed and power consumption, it is inserted directly in the camera framework, allowing to execute all the processing in real-time.

Keywords: clustering, cross traffic alert, optical flow, real time, vanishing point

Procedia PDF Downloads 186

Authors: Hamid Ahmadi, Neda Azari-Dodaran

Abstract:

A total of 270 nonlinear steady-state finite element (FE) analyses were performed on 54 FE models of two-planar circular hollow section (CHS) KK-joints subjected to axial loading at five different temperatures (20 ºC, 200 ºC, 400 ºC, 550 ºC, and 700 ºC). The primary goal was to investigate the effects of temperature and geometrical characteristics on the ultimate strength, modes of failure, and initial stiffness of the KK-joints. Results indicated that on an average basis, the ultimate load of a two-planar tubular KK-joint at 200 ºC, 400 ºC, 550 ºC, and 700 ºC is 90%, 75%, 45%, and 16% of the joint’s ultimate load at ambient temperature, respectively. Outcomes of the parametric study showed that replacing the yield stress at ambient temperature with the corresponding value at elevated temperature to apply the EN 1993-1-8 equations for the calculation of the joint’s ultimate load at elevated temperatures may lead to highly unconservative results that might endanger the safety of the structure. Results of the parametric study were then used to develop a set of design formulas, through nonlinear regression analyses, to calculate the ultimate load of two-planar tubular KK-joints subjected to axial loading at elevated temperatures.

Keywords: ultimate load, two-planar tubular KK-joint, axial loading, elevated temperature, parametric equation

Procedia PDF Downloads 140

Authors: Li Qian, Jinchao Tong, Daohua Zhang, Weijun Fan, Fei Suo

Abstract:

Photonic applications based on group IV semiconductors have always been an interest but also a challenge for the research community. We report manufacturing group IV Ge₁₋ₓSnₓ alloys with tuneable energy band gap on (100) GaAs substrate by a modified radio frequency magnetron co-sputtering. Images were taken by atomic force microscope, and scanning electron microscope clearly demonstrates a smooth surface profile, and Ge₁₋ₓSnₓ nano clusters are with the size of several tens of nanometers. Transmittance spectra were measured by Fourier Transform Infrared Spectroscopy that showed changing energy gaps with the variation in elementary composition. Calculation results by 8-band k.p method are consistent with measured gaps. Our deposition system realized direct growth of Ge₁₋ₓSnₓ thin film on GaAs (100) substrate by sputtering. This simple deposition method was modified to be able to grow high-quality photonic materials with tuneable energy gaps. This work provides an alternative and successful method for fabricating Group IV photonic semiconductor materials.

Keywords: GeSn, crystal growth, sputtering, photonic

Procedia PDF Downloads 133

Authors: A. Ikhlef

Abstract:

Image noise in computed tomography, is mainly caused by the statistical noise, system noise reconstruction algorithm filters. Since last few years, low dose x-ray imaging became more and more desired and looked as a technical differentiating technology among CT manufacturers. In order to achieve this goal, several technologies and techniques are being investigated, including both hardware (integrated electronics and photon counting) and software (artificial intelligence and machine learning) based solutions. From a hardware point of view, electronic noise could indeed be a potential driver for low and ultra-low dose imaging. We demonstrated that the reduction or elimination of this term could lead to a reduction of dose without affecting image quality. Also, in this study, we will show that we can achieve this goal using conventional electronics (low cost and affordable technology), designed carefully and optimized for maximum detective quantum efficiency. We have conducted the tests using large imaging objects such as 30 cm water and 43 cm polyethylene phantoms. We compared the image quality with conventional imaging protocols with radiation as low as 10 mAs (<< 1 mGy). Clinical validation of such results has been performed as well.

Keywords: computed tomography, electronic noise, scintillation detector, x-ray detector

Procedia PDF Downloads 106

Authors: Dagnija Blumberga, Toms Prodanuks, Ivars Veidenbergs, Andra Blumberga

Abstract:

Gas condensing units with inner tubes heat exchangers represent third generation technology and differ from second generation heat and mass transfer units, which are fulfilled by passive filling material layer. The first one improves heat and mass transfer by increasing cooled contact surface of gas and condensate drops and film formed in inner tubes heat exchanger. This paper presents a selection of significant factors which influence the heat and mass transfer. Experimental planning is based on the research and analysis of main three independent variables; velocity of water and gas as well as density of spraying. Empirical mathematical models show that the coefficient of heat transfer is used as dependent parameter which depends on two independent variables; water and gas velocity. Empirical model is proved by the use of experimental data of two independent gas condensing units in Lithuania and Russia. Experimental data are processed by the use of heat transfer criteria-Kirpichov number. Results allow drawing the graphical nomogram for the calculation of heat and mass transfer conditions in the innovative and energy efficient gas cooling unit.

Keywords: gas condensing unit, filling, inner heat exchanger, package, spraying, tunes

Procedia PDF Downloads 279

Authors: Anthony Chidi Ezika, Gbolahan Joseph Adekoya, Emmanuel Rotimi Sadiku, Yskandar Hamam, Suprakas Sinha Ray

Abstract:

High-energy-density polymer/ceramic composites require a high breakdown strength and dielectric constant. Interface polarization and electric percolation are responsible for the high dielectric constant. In order to create composite dielectrics, high conductivity ceramic particles are combined with polymers to increase the dielectric constant. In this study, bonding and the non-uniform distribution of charges in the ceramic/ceramic interface zone are investigated using density functional theory (DFT) modeling. This non-uniform distribution of charges is intended to improve the ceramic/ceramic interface's dipole polarization (dielectric response). The interfacial chemical bond formation can also improve the structural stability of the hybrid filler and, consequently, of the composite films. To comprehend the electron-transfer process, the density of state and electron localization function of the PPy with hybrid fillers are also studied. The polymer nanocomposite is anticipated to provide a suitable dielectric response for energy storage applications.

Keywords: energy storage, V₂C/ ZnS hybrid, polypyrrole, MXene, nanocomposite, dielectric

Procedia PDF Downloads 98

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability

Procedia PDF Downloads 310

Authors: Yu Bingqing

Abstract:

Research on the meteorological observation data of conventional meteorological stations in Jiangnan area from 2001 to 2020 and digital elevation DEM, the "golden section" comfort index calculation method was used to refine the spatial estimation of climate comfort in Jiangnan area under undulating terrain on the Gis platform, and its spatiotemporal distribution characteristics in the region were analyzed. The results can provide reference for the development and utilization of climate resources in Jiangnan area.The results show that: ① there is a significant spatial difference between winter and summer climate comfort from low latitude to high latitude. ②There is a significant trend of decreasing climate comfort from low altitude to high altitude in winter, but the opposite is true in summer. ③There is a trend of decreasing climate comfort from offshore to inland in winter, but the difference is not significant in summer. The climate comfort level in the natural lake area is higher in summer than in the surrounding areas, but not in winter. ⑤ In winter and summer, altitude has the greatest influence on the difference in comfort level.

Keywords: vernacular courtyards, thermal environment, depth-to-height ratio, climate adaptability，Southeast China

Procedia PDF Downloads 36

Authors: M. C. Paliwal, A. K. Jain, S. K. Katiyar

Abstract:

Classification of satellite imagery is very important for the assessment of its accuracy. In order to determine the accuracy of the classified image, usually the assumed-true data are derived from ground truth data using Global Positioning System. The data collected from satellite imagery and ground truth data is then compared to find out the accuracy of data and error matrices are prepared. Overall and individual accuracies are calculated using different methods. The study illustrates advanced classification and accuracy assessment of land use/land cover mapping using satellite imagery. IRS-1C-LISS IV data were used for classification of satellite imagery. The satellite image was classified using the software in fourteen classes namely water bodies, agricultural fields, forest land, urban settlement, barren land and unclassified area etc. Classification of satellite imagery and calculation of accuracy was done by using ERDAS-Imagine software to find out the best method. This study is based on the data collected for Bhopal city boundaries of Madhya Pradesh State of India.

Keywords: resolution, accuracy assessment, land use mapping, satellite imagery, ground truth data, error matrices

Procedia PDF Downloads 492

Authors: Mohammadreza Judaki, Hosein Mohammadnezhad Shourkaei

Abstract:

Usually, noise generated by industrial units, is a pollution and disturbs people and causes problems for human health and sometimes these units will be closed because they cannot eliminate this pollution. Small-scale power plants usually are built close to residential areas, and noise generated by these power plants is an important factor in choosing their location and their design. Materials used to reduce noise are studied by measuring their absorption and reflection index numerically and experimentally. We can use MIKI model (Yasushi Miki, 1990) to simulate absorption index by using software like Ansys or Soundflow and compare calculation results with experimental simulation data. We consider high frequency sounds of power plant engines octave band diagram because dB value of high frequency noise is more noticeable for human ears. To prove this, in this study we first will study calculating octave band of engines exhausts and then we will study acoustic behavior of materials that we will use in high frequencies and this will give us our optimum noise reduction plan.

Keywords: acoustic materials, eliminating engine noise, octave level diagram, power plant noise

Procedia PDF Downloads 128

Authors: X. Wang, T. J. Craft, H. Iacovides

Abstract:

When handling the near-wall regions of turbulent flows, it is necessary to account for the viscous effects which are important over the thin near-wall layers. Low-Reynolds- number turbulence models do this by including explicit viscous and also damping terms which become active in the near-wall regions, and using very fine near-wall grids to properly resolve the steep gradients present. In order to overcome the cost associated with the low-Re turbulence models, a more advanced wall function approach has been implemented within OpenFoam and tested together with a standard log-law based wall function in the prediction of flows which involve 2-D shock wave/turbulent boundary layer interactions (SWTBLIs). On the whole, from the calculation of the impinging shock interaction, the three turbulence modelling strategies, the Lauder-Sharma k-ε model with Yap correction (LS), the high-Re k-ε model with standard wall function (SWF) and analytical wall function (AWF), display good predictions of wall-pressure. However, the SWF approach tends to underestimate the tendency of the flow to separate as a result of the SWTBLI. The analytical wall function, on the other hand, is able to reproduce the shock-induced flow separation and returns predictions similar to those of the low-Re model, using a much coarser mesh.

Keywords: SWTBLIs, skin-friction, turbulence modeling, wall function

Procedia PDF Downloads 336

Authors: Xi Luo, Xu Ji, Yunfeng Wang, Guoliang Li, Chongqiang Yan, Ming Li

Abstract:

Two different kinds of cross V-shape solar air collectors are designed and constructed. In the transverse cross V-shape collector, the V-shape bottom plate is along the air flow direction and the absorbing plate is perpendicular to the air flow direction. In the lengthway cross V-shape collector, the V-shape absorbing plate is along the air flow direction and the bottom plate is perpendicular to the air flow direction. Based on heat balance, the mathematical model is built to evaluate their performances. These thermal performances of the two cross V-shape solar air collectors and an extra traditional flat-plate solar air collector are characterized under various operating conditions by experiments. The experimental results agree well with the calculation values. The experimental results prove that the thermal efficiency of transverse cross V-shape collector precedes that of others. The air temperature at any point along the flow direction of the transverse cross V-shape collector is higher than that of the lengthway cross V-shape collector. For the transverse cross V-shape collector, the most effective length of flow channel is 0.9m. For the lengthway cross V-shape collector, a longer flow channel is necessary to achieve a good thermal performance.

Keywords: cross v-shape, performance, solar air collector, thermal efficiency

Procedia PDF Downloads 299

Authors: Tae Gwan Kim, Hyun Kyu Cho, Young Hoon Lee, Young Chul Park

Abstract:

Foam monitors are devices that are installed on cargo tank decks to suppress cargo area fires in oil tankers or hazardous chemical ship cargo ships. In general, the main design parameter of the foam monitor is the distance of the projection through the foam monitor. In this study, the relationship between flow characteristics and projection distance, depending on the shape was examined. Numerical techniques for fluid analysis of foam monitors have been developed for prediction. The flow pattern of the fluid varies depending on the shape of the flow path of the foam monitor, as the flow losses affecting projection distance were calculated through numerical analysis. The basic shape of the foam monitor was an L shape designed by N Company. The modified model increased the length of the flow path and used the S shape model. The calculation result shows that the L shape, which is the basic shape, has a problem that the force is directed to one side and the vibration and noise are generated there. In order to solve the problem, S-shaped model, which is a change model, was used. As a result, the problem is solved, and the projection distance from the nozzle is improved.

Keywords: CFD, foam monitor, projection distance, moment

Procedia PDF Downloads 327

Authors: Gastão Soares Ximenes de Oliveira, Richar Nicolás Durán, Romeo Micah Szmoski, Eloiza Aparecida Avila de Matos, Elano Gustavo Rein

Abstract:

This article aims to present an experimental method to determine Planck's constant by calculating the cutting potential V₀ from LEDs with different wavelengths. The experiment is designed using Arduino as a central tool in order to make the experimental activity more engaging and attractive for students with the use of digital technologies. From the characteristic curves of each LED, graphical analysis was used to obtain the cutting potential, and knowing the corresponding wavelength, it was possible to calculate Planck's constant. This constant was also obtained from the linear adjustment of the cutting potential graph by the frequency of each LED. Given the relevance of Planck's constant in physics, it is believed that this experiment can offer teachers the opportunity to approach concepts from modern physics, such as the quantization of energy, in a more accessible and applied way in the classroom. This will not only enrich students' understanding of the fundamental nature of matter but also encourage deeper engagement with the principles of quantum physics.

Keywords: physics teaching, educational technology, modern physics, Planck constant, Arduino

Procedia PDF Downloads 62

Authors: J. Skibinski, P. Caban, T. Wejrzanowski, K. J. Kurzydlowski

Abstract:

In the present study numerical simulations of epitaxial growth of gallium nitride in Metal Organic Vapor Phase Epitaxy reactor AIX-200/4RF-S are addressed. The aim of this study was to design the optimal fluid flow and thermal conditions for obtaining the most homogeneous product. Since there are many agents influencing reactions on the crystal growth area such as temperature, pressure, gas flow or reactor geometry, it is difficult to design optimal process. Variations of process pressure and hydrogen mass flow rates have been considered. According to the fact that it’s impossible to determine experimentally the exact distribution of heat and mass transfer inside the reactor during crystal growth, detailed 3D modeling has been used to get an insight of the process conditions. Numerical simulations allow to understand the epitaxial process by calculation of heat and mass transfer distribution during growth of gallium nitride. Including chemical reactions in the numerical model allows to calculate the growth rate of the substrate. The present approach has been applied to enhance the performance of AIX-200/4RF-S reactor.

Keywords: computational fluid dynamics, finite volume method, epitaxial growth, gallium nitride

Procedia PDF Downloads 441

Authors: Louella Nicole Gamao

Abstract:

Writing in English is accounted as a complex skill and process for foreign language learners who commit errors in writing are found as an inevitable part of language learners' writing. This study aims to explore and analyze the learners of English-as-a foreign Language (EFL) freewriting in a University in Taiwan by identifying the category of mistakes that often appear in their freewriting activity and analyzing the learners' awareness of each error. Hopefully, this present study will be able to gain further information about students' errors in their English writing that may contribute to further understanding of the benefits of freewriting activity that can be used for future purposes as a powerful tool in English writing courses for EFL classes. The present study adopted the framework of error analysis proposed by Dulay, Burt, and Krashen (1982), which consisted of a compilation of data, identification of errors, classification of error types, calculation of frequency of each error, and error interpretation. Survey questionnaires regarding students' awareness of errors were also analyzed and discussed. Using quantitative and qualitative approaches, this study provides a detailed description of the errors found in the students'freewriting output, explores the similarities and differences of the students' errors in both academic writing and freewriting, and lastly, analyzes the students' perception of their errors.

Keywords: error, EFL, freewriting, taiwan, english

Procedia PDF Downloads 92

Authors: Csilla Dudás, Éva Böszörményi, Bence Kutus, István Pálinkó, Pál Sipos

Abstract:

In this study the behavior of alpha-D-isosaccharinate (2-hydroxymethyl-3-deoxy-D-erythro-pentonate, ISA−) in alkaline medium in the presence of calcium was studied. At first the Ca–ISA system was studied by Ca-ion selective electrode (Ca-ISE) in neutral medium at T = 25 °C and I = 1 M NaCl to determine the formation constant of the CaISA+ monocomplex, which was found to be logK = 1.01 ± 0.01 for the reaction of Ca2+ + ISA– = CaISA+. In alkaline medium pH potentiometric titrations were carried out to determine the composition and stability constant of the complex(es) formed. It was found that in these systems above pH = 12.5 the predominant species is the CaISAOH complex. Its formation constant was found to be logK = 3.04 ± 0.05 for the reaction of Ca2+ + ISA– + H2O = CaISAOH + H+ at T = 25 °C and I = 1 M NaCl. Solubility measurements resulted in data consistent with those of the potentiometric titrations. Temperature dependent NMR spectra showed that the slow exchange range between the complex and the free ligand is below 5 °C. It was also showed that ISA– acts as a multidentate ligand forming macrochelate Ca-complexes. The structure of the complexes was determined by using ab initio quantum chemical calculations.

Keywords: Ca-ISE potentiometry, calcium complexes, isosaccharinate ion, NMR spectroscopy, pH potentiometry

Procedia PDF Downloads 249

Authors: Demosthenes Panagiotakos

Abstract:

The aim of the present work was to evaluate dietary habits’ inflammatory potential with various components of arterial blood pressure (hypertension, mean arterial pressure (MAP) and pulse pressure (PP)) in a sample of older Mediterranean people without known cardiovascular disease. During 2005-2011, 2,813 older (aged 65-100 years) individuals from 21 Mediterranean islands and the rural Mani region (Peloponnesus) were voluntarily enrolled. Standard procedures were used to determine arterial blood pressure, as well as PP and MAP, and for the evaluation of dietary habits, lifestyle, anthropometric and clinical characteristics of the participants. A dietary inflammatory index (DII) was assessed based on the participants specific dietary habits, and its calculation was based on a standard procedure. It was reported that the higher the DII level of a diet (adherence to a more pro-inflammatory diet) the greater was the likelihood of having an older adult hypertension [OR=3.82 (95% CI): 1.24 to 11.71]. Moreover, the higher the level of DII (more pro-inflammatory dietary habits) the greater were the levels of MAP [b-coefficient (95% CI): 7.23 (+1.86 to +12.59)] and PP, [b-coefficient (95% CI): 10.86 (+2.70 to +19.01)]. Diet’s inflammatory potential is related with various components of arterial pressure. Adherence to a more pro-inflammatory diet seems to be associated with increased arterial peripheral resistance and arterial stiffness.

Keywords: dietary inflammatory index, hypertension, mean arterial pressure, elderly

Procedia PDF Downloads 261

Authors: Reza Behboodian

Abstract:

Monitoring the structural health and diagnosing their damage in the early stages has always been one of the topics of concern. Nowadays, research on structural damage detection methods based on vibration analysis is very extensive. Moreover, these methods can be used as methods of permanent and timely inspection of structures and prevent further damage to structures. Non-destructive methods are the low-cost and economical methods for determining the damage of structures. In this research, a non-destructive method for detecting and identifying the failure location in structures based on dynamic responses resulting from time history analysis is proposed. When the structure is damaged due to the reduction of stiffness, and due to the applied loads, the displacements in different parts of the structure were increased. In the proposed method, the damage position is determined based on the calculation of the strain energy difference in each member of the damaged structure and the healthy structure at any time. Defective members of the structure are indicated by the amount of strain energy relative to the healthy state. The results indicated that the proper accuracy and performance of the proposed method for identifying failure in structures.

Keywords: failure, time history analysis, dynamic response, strain energy

Procedia PDF Downloads 114

Authors: Daniel Suárez, Jesús Tomas, Sandra Sendra, Sandra Viciano-Tudela, Luis Felipe Calle, Javier Urios, Jaime Lloret

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Our study is to develop a tool for the mobile phone to an assessment of body damage or determination of the degree of disability. This is a field of action of legal medicine and insurance with obvious economic implications. Those people who have suffered an accident or bodily harm demand a quantification of it. The assessment of bodily harm or disability by the expert medical professional is not exempt from complexity. Sometimes it is difficult to quantify pain; other times, the doctor faces simulators or exaggerators, and on many occasions, it is difficult to remember the extensive tables of scales whose details are complex to remember and apply. We present a tool, as a mobile application, that allows entering the sociodemographic date of the patient as well as the characteristics of the accident suffered by the person. With these preliminary data and introducing bodily damage, an approximate calculation of the compensation that the injured party should receive can be made. One of the results of this study is that it allows calculating joint mobility angles without the need to use a goniometer.

Keywords: mobile tool, body damage, personal injury and disability, telemedicine

Procedia PDF Downloads 69

Authors: Lei Zhang, Wen-jun Ruan, Hao Wang, Peng-Xin Wang

Abstract:

The source of the jet noise is generated by rocket exhaust plume during rocket engine testing. A domain decomposition approach is applied to the jet noise prediction in this paper. The aerodynamic noise coupling is based on the splitting into acoustic sources generation and sound propagation in separate physical domains. Large Eddy Simulation (LES) is used to simulate the supersonic jet flow. Based on the simulation results of the flow-fields, the jet noise distribution of the sound pressure level is obtained by applying the Ffowcs Williams-Hawkings (FW-H) acoustics equation and Fourier transform. The calculation results show that the complex structures of expansion waves, compression waves and the turbulent boundary layer could occur due to the strong interaction between the gas jet and the ambient air. In addition, the jet core region, the shock cell and the sound pressure level of the gas jet increase with the nozzle size increasing. Importantly, the numerical simulation results of the far-field sound are in good agreement with the experimental measurements in directivity.

Keywords: supersonic gas jet, Large Eddy Simulation(LES), acoustic noise, Ffowcs Williams-Hawkings(FW-H) equations, nozzle size

Procedia PDF Downloads 397

Authors: Jens Friedrich, Matthias A. Gebele, Armin Lechler, Alexander Verl

Abstract:

Chatter vibrations and process instabilities are the most important factors limiting the productivity of the milling process. Chatter can leads to damage of the tool, the part or the machine tool. Therefore, the estimation and prediction of the process stability is very important. The process stability depends on the spindle speed, the depth of cut and the width of cut. In milling, the process conditions are defined in the NC-program. While the spindle speed is directly coded in the NC-program, the depth and width of cut are unknown. This paper presents a new simulation based approach for the prediction of the depth and width of cut of a milling process. The prediction is based on a material removal simulation with an analytically represented tool shape and a multi-dexel approach for the work piece. The new calculation method allows the direct estimation of the depth and width of cut, which are the influencing parameters of the process stability, instead of the removed volume as existing approaches do. The knowledge can be used to predict the stability of new, unknown parts. Moreover with an additional vibration sensor, the stability lobe diagram of a milling process can be estimated and improved based on the estimated depth and width of cut.

Keywords: dexel, process stability, material removal, milling

Procedia PDF Downloads 508

Authors: Suha I. Al-Nassar, K. M. Adel, F. Zainab

Abstract:

This work was devoted for producing ZnO nanoparticles by pulsed laser ablation (PLA) of Zn metal plate in the aqueous environment of cetyl trimethyl ammonium bromide (CTAB) using Q-Switched Nd:YAG pulsed laser with wavelength= 1064 nm, Rep. rate= 10 Hz, Pulse duration= 6 ns and laser energy 50 mJ. Solution of nanoparticles is found stable in the colloidal form for a long time. The effect of ablation time on the optical and structure of ZnO was studied is characterized by UV-visible absorption. UV-visible absorption spectrum has four peaks at 256, 259, 265, 322 nm for ablation time (5, 10, 15, and 20 sec) respectively, our results show that UV–vis spectra show a blue shift in the presence of CTAB with decrease the ablation time and blue shift indicated to get smaller size of nanoparticles. The blue shift in the absorption edge indicates the quantum confinement property of nanoparticles. Also, FTIR transmittance spectra of ZnO2 nanoparticles prepared in these states show a characteristic ZnO absorption at 435–445cm^−1.

Keywords: zinc oxide nanoparticles, CTAB solution, pulsed laser ablation technique, spectroscopic characterization

Procedia PDF Downloads 365

Authors: Sergei P. Efimov

Abstract:

The anomalous magnetic moment of the electron is calculated by introducing the effective mass of the virtual part of the electron structure. In this case, the anomalous moment is inversely proportional to the effective mass Meff, which is shown to be a linear combination of the neutron, proton, and electrostatic electron field masses. The spin of a rotating structure is assumed to be equal to 3/2, while the spin of a 'bare' electron is equal to unity, the resultant spin being 1/2. A simple analysis gives the coefficients for a linear combination of proton and electron masses, the approximation precision giving here nine significant digits after the decimal point. The summand proportional to α² adds four more digits. Thus, the conception of the effective mass Meff leads to the formula for the total magnetic moment of the electron, which is accurate to fourteen digits. Association with the virtual beta-decay reaction and possible reasons for simplicity of the derived formula are discussed.

Keywords: anomalous magnetic moment of electron, comparison with quantum electrodynamics. effective mass, fifteen significant figures, proton and neutron masses

Procedia PDF Downloads 111