Search results for: bonds.

Authors: Anna Trusek-Holownia, Andrzej Noworyta

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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.

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Authors: Mahdi Asghari

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The cavitation phenomenon is the formation and production of micro-bubbles and eventually the bursting of the micro-bubbles inside the liquid fluid, which results in localized high pressure and temperature, causing physical and chemical fluid changes. This pressure and temperature are predicted to be 2000 atmospheres and 5000 °C, respectively. As a result of small bubbles bursting from this process, temperature and pressure increase momentarily and locally, so that the intensity and magnitude of these temperatures and pressures provide the energy needed to break the molecular bonds of heavy compounds such as fuel oil. In this paper, we study the theory of cavitation and the methods of cavitation production by acoustic and hydrodynamic methods and the necessary mechanical equipment and reactors for industrial application of the hydrodynamic cavitation method to break down the molecular bonds of the fuel oil and convert it into useful and economical products.

Keywords: Cavitation, hydrodynamic cavitation, cavitation reactor, fuel oil.

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Authors: Juliana V. Pereira, Adriana S. M. Batista, Jefferson P. Nascimento, Clascídia A. Furtado, Luiz O. Faria

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Exposure to ionizing radiation has been found to induce changes in poly(vinylidene fluoride) (PVDF) homopolymers. The high dose gamma irradiation process induces the formation of C=C and C=O bonds in its [CH₂-CF₂]_n main chain. The irradiation also provokes crosslinking and chain scission. All these radio-induced defects lead to changes in the PVDF crystalline structure. As a consequence, it is common to observe a decrease in the melting temperature (T_M) and melting latent heat (L_M) and some changes in its ferroelectric features. We have investigated the possibility of preparing nanocomposites of PVDF with graphene oxide (GO) through the radio-induction of molecular bonds. In this work, we discuss how the gamma radiation interacts with the nanocomposite crystalline structure.

Keywords: Gamma irradiation, grapheme oxide, nanocomposites, PVDF.

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Authors: Vicente F. P. Aleixo, Augusto C. F. Saraiva, Jordan Del Nero

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The production of devices in nanoscale with specific molecular rectifying function is one of the most significant goals in state-of-art technology. In this work we show by ab initio quantum mechanics calculations coupled with non-equilibrium Green function, the design of an organic two-terminal device. These molecular structures have molecular source and drain with several bridge length (from five up to 11 double bonds). Our results are consistent with significant features as a molecular rectifier and can be raised up as: (a) it can be used as bi-directional symmetrical rectifier; (b) two devices integrated in one (FET with one operational region, and Thyristor thiristor); (c) Inherent stability due small intrinsic capacitance under forward/reverse bias. We utilize a scheme for the transport mechanism based on previous properties of ¤Ç bonds type that can be successfully utilized to construct organic nanodevices.

Keywords: ab initio, Carotenoid, Charge Transfer, Nanodevice

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Authors: Y. J. Chen, T. M. Yue, Z. N. Guo

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This paper reports the effects of laser energy on the characteristics of bubbles generated in the weld zone and the formation of new chemical bonds at the Polyethylene Terephthalate (PET)/Ti joint interface in laser joining of PET to Ti. The samples were produced by using different laser energies ranging from 1.5 J – 6 J in steps of 1.5 J, while all other joining parameters remained unchanged. The types of chemical bonding at the joint interface were analysed by the x-ray photoelectron spectroscopy (XPS) depth-profiling method. The results show that the characteristics of the bubbles and the thickness of the chemically bonded interface, which contains the laser generated bonds of Ti–C and Ti–O, increase markedly with increasing laser energy input. The tensile failure load of the joint depends on the combined effect of the amount and distribution of the bubbles formed and the chemical bonding intensity of the joint interface.

Keywords: Laser direct joining, Ti/PET interface, laser energy, XPS depth profiling, chemical bond, tensile failure load.

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Authors: Ali Arabkheradmand, Enayat A. Shabani, Shabnam Ranjbar Nikkhoo

Abstract:

Historical and ancestral bonds of the countries in the Middle East have led to similarities in culture and context of their societies. In addition, economical resources, such as the oil industry, have generally been an integrative point in the region. Higher education of a country is influenced by different national and international factors and, regarding the mentioned bonds, it is inviting to study the development of the countries of the Middle East in higher education and draw some practical implications which can be used in the educational policymaking of the region. This review includes a data analysis on the population of international students in the countries of the Middle East. As its second objective, a review study on the successful countries, that is, those which host the highest number of international students, and the strategies they have developed to reach this state among the countries of the region, has been conducted. Suggestions are made as to the strategies in higher education systems of these countries which could prove useful and practical in the development of internationalization of higher education in the region, specifically with regard to the recruitment of international students.

Keywords: Internationalization of Higher Education, International Student Recruitment, Countries of the Middle East.

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Authors: R.Narchal

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Culture and family structure provide a sense security. Further, the chrono, macro and micro contexts of development influence developmental transitions and timetable particularly owing to variations in the macrosystem associated with non normative life events like migration. Migration threatens family links, security and attachment bonds. Rising migratory trends have prompted an increased interest in migration consequences on familial bonds, developmental autonomy, socialization process, and sense of security. This paper takes a narrative approach and applies the attachment paradigm from a lifespan perspective, to examine the settlement experiences of an India-born migrant student in Sydney, Australia. It focuses on her quest to preserve family ties; her remote secure base; her continual struggle to balance dependency and autonomy, a major developmental milestone. As positional parental power is culturally more potent in the Indian society, the paper therefore raises some important concerns related to cultural expectations, adaptation, acculturative stress and sense of security.

Keywords: Attachment, family security, migration & loneliness, narrative, remote secure base

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Authors: Siti Raihana Hamzah

Abstract:

This paper elaborates risk shifting in debt financing system as the ultimate cause of the global financial crisis. In contrast, risk sharing in equity financing like sukuk helps the economic system to be better sustained. Nevertheless, some types of sukuk are haunted by the issue of imitation with bonds. The critics on the imitation issue not only have raised doubt on the ability of sukuk to diminish risk shifting behavior but also the ability of this Islamic financial instrument to ensure better future financial stability. Through that, this paper provides discussion on the possibility of sukuk to induce risk shifting and how equity financing may help sukuk to be free from risk shifting. This paper is important in the sense that sukuk receives a significant demand from investors throughout the world. For this instrument to be supportive in the future economic stability, the issue of imitation needs to be identified and addressed. Furthermore, critics cannot be focused on debts and its ability to gauge the financial flux but also to sukuk due to their structures similarity.

Keywords: Global financial crisis, debt, risk-shifting, risk sharing, equity, sukuk, bonds.

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Authors: B. Aydinli, A. Caglar

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Renewable energy sources have gained ultimate urgency due to the need of the preservation of the environment for a sustainable development. Pyrolysis is an ultimate promising process in the recycling and acquisition of precious chemicals from wastes. Here, the co-pyrolysis of hazelnut shell with ultra-high molecular weight polyethylene was carried out catalytically and noncatalytically at 500 and 650 ºC. Potassium dichromate was added in certain amounts to act as a catalyst. The liquid, solid and gas products quantities were determined by gravimetry. As a main result, remarkable increases in gasification were observed by using this catalyst for pure components and their blends especially at 650 ºC. The increase in gas product quantity was compensated mainly with the decreases in the solid products and additionally in some cases liquid products quantities. These observations may stem from mainly the activation of carbon-carbon bonds rather than carbon-hydrogen bonds via potassium dichromate. Also, the catalytic effect of potassium dichromate on HS: PEO and HS: UHMWPE co-pyrolysis was compared.

Keywords: Hazelnut shell, Polyethylene oxide, Potassium Dichromate, Pyrolysis, UHMWPE

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

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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.

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Authors: Eda Gök

Abstract:

Peridynamics is a new modeling concept of non-local interactions for solid structures. The formulations of Peridynamic (PD) theory are based on integral equations rather than differential equations. Through, undefined equations of associated problems are avoided. PD theory might be defined as continuum version of molecular dynamics. The medium is usually modeled with mass particles bonded together. Particles interact with each other directly across finite distances through central forces named as bonds. The main assumption of this theory is that the body is composed of material points which interact with other material points within a finite distance. Although, PD theory developed for discontinuities, it gives good results for structures which have no discontinuities. In this paper, displacement control of the isotropic plate under the effect of tensile and bending loading has been investigated by means of PD theory. A MATLAB code is generated to create PD bonds and corresponding surface correction factors. Using generated MATLAB code the geometry of the specimen is generated, and the code is implemented in Finite Element Software. The results obtained from non-local continuum theory are compared with the Finite Element Analysis results and analytical solution. The results show good agreement.

Keywords: Flexural loading, non-local continuum mechanics, Peridynamic theory, solid structures, tensile loading.

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Authors: Ammar S. M. Moohialdin, Bambang T. Suhariadi, Mohsin Siddiqui

Abstract:

This paper addresses the application of physiological status monitoring (PSM) for assessing the impact of harsh weather conditions on sports activities in universities in Saudi Arabia. Real sports measurement was conducted during sports activities such that the physiological status (HR and BR) of five students were continuously monitored by using Zephyr BioHarness^TM 3.0 sensors in order to identify the physiological bonds and zones. These bonds and zones were employed as indicators of the associated physiological risks of the performed sports activities. Furthermore, a short yes/no questionnaire was applied to collect information on participants’ health conditions and opinions of the applied PSM sensors. The results show the absence of a warning system as a protective aid for the hazardous levels of extremely hot and humid weather conditions that may cause dangerous and fatal circumstances. The applied formulas for estimating maximum HR provides accurate estimations for Maximum Heart Rate (HR_max). The physiological results reveal that the performed activities by the participants are considered the highest category (90–100%) in terms of activity intensity. This category is associated with higher HR, BR and physiological risks including losing the ability to control human body behaviors. Therefore, there is a need for immediate intervention actions to reduce the intensity of the performed activities to safer zones. The outcomes of this study assist the safety improvement of sports activities inside universities and athletes performing their sports activities. To the best of our knowledge, this is the first paper to represent a special case of the application of PSM technology for assessing sports activities in universities considering the impacts of harsh weather conditions on students’ health and safety.

Keywords: PSM, heart rate, HR, breathing rate, BR.

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Authors: Israel Núñez-Hernández, Peter C. Breedveld, Paul B. T. Weustink, Gilberto Gonzalez-A

Abstract:

This paper proposes a phasor representation of electrical networks by using bond graph methodology. A so-called phasor bond graph is built up by means of two-dimensional bonds, which represent the complex plane. Impedances or admittances are used instead of the standard bond graph elements. A procedure to obtain the steady-state values from a phasor bond graph model is presented. Besides the presentation of a phasor bond graph library in SIDOPS code, also an application example is discussed.

Keywords: Bond graphs, phasor theory, steady-state, complex power, electrical networks.

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Authors: S. Zamir

Abstract:

The modern era has brought with it significant organizational changes. These changes have not bypassed the academic world, and along with the old academic bonds that include a world of knowledge and ethics, academic faculty members are required more than ever not only to survive in the academic world, but also to thrive and flourish and position themselves as modern and opinionated academicians. Based upon the writings of organizational consultants, the article suggests a 10 X C model for cultivating an academic backbone, as well as emphasizing its input to the professional growth of university and college academics: Competence, Calculations of pain & gain, Character, Commitment, Communication, Curiosity, Coping, Courage, Collaboration and Celebration.

Keywords: Academic career, academicians, higher education, the 10xC Model.

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Authors: R. Eslami Farsani, S. Raissi, A. Shokuhfar, A. Sedghi

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In this investigation, types of commercial and special polyacrylonitrile (PAN) fibers contain sodium 2-methyl-2- acrylamidopropane sulfonate (SAMPS) and itaconic acid (IA) comonomers were studied by fourier transform infrared (FT-IR) spectroscopy. The study of FT-IR spectra of PAN fibers samples with different comonomers shows that during stabilization of PAN fibers, the peaks related to C≡N bonds and CH2 are reduced sharply. These reductions are related to cyclization of nitrile groups and stabilization procedure. This reduction in PAN fibers contain IA comonomer is very intense in comparison with PAN fibers contain SAMPS comonomer. This fact indicates the cycling and stabilization for sample contain IA comonomer have been conducted more completely. Therefore the carbon fibers produced from this material have higher tensile strength due to suitable stabilization.

Keywords: PAN Fibers, Stabilization, Carbon Fibers, FT-IR.

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Authors: Robest Flasza, Milan Rippel, Jan Solc

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The main aim of this paper is to develop and calibrate an econometric model for modeling prices of long term electricity futures contracts. The calibration of our model is performed on data from EEX AG allowing us to capture the specific features of German electricity market. The data sample contains several structural breaks which have to be taken into account for modeling. We model the data with an ARIMAX model which reveals high correlation between the price of electricity futures contracts and prices of LT futures contracts of fuels (namely coal, natural gas and crude oil). Besides this, also a share price index of representative electricity companies traded on Xetra, spread between 10Y and 1Y German bonds and exchange rate between EUR and USD appeared to have significant explanatory power over these futures contracts on EEX.

Keywords: electricity futures, EEX, ARIMAX, emissionallowances

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Authors: Shashwat Gangwal

Abstract:

This paper analyses the effect of adding Bitcoin, to the portfolio (stocks, bonds, Baltic index, MXEF, gold, real estate and crude oil) of an international investor by using daily data available from 2^nd of July, 2010 to 2^{nd of} August, 2016. We conclude that adding Bitcoin to portfolio, over the course of the considered period, always yielded a higher Sharpe ratio. This means that Bitcoin’s returns offset its high volatility. This paper, recognizing the fact that Bitcoin is a relatively new asset class, gives the readers a basic idea about the working of the virtual currency, the increasing number developments in the financial industry revolving around it, its unique features and the detailed look into its continuously growing acceptance across different fronts (Banks, Merchants and Countries) globally. We also construct optimal portfolios to reflect the highly lucrative and largely unexplored opportunities associated with investment in Bitcoin.

Keywords: Portfolio management, Bitcoin, optimization, Sharpe ratio.

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Authors: Salam K. Al-Dawery

Abstract:

Despite of few research works on municipal sludge, still there is a lack of actual data. Thus, this work was focused on the conditioning and rheology of fresh activated sludge. The effect of cationic polyelectrolyte has been investigated at different concentrations and pH values in a comparative fashion. Yield stress is presented in all results indicating the minimum stress that necessary to reach flow conditions. Connections between particle-particle is the reason for this yield stress, also, the addition of polyelectrolyte causes strong bonds between particles and water resulting in the aggregation of particles which required higher shear stress in order to flow. The results from the experiments indicate that the cationic polyelectrolytes have significant effluence on the sludge characteristic and water quality such as turbidity, SVI, zone settling rate and shear stress.

Keywords: Rheology, Polyelectrolyte, Settling volume index, Turbidity.

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Authors: I-Ling Chang, Jer-An Chen

Abstract:

The elastic properties and fracture of two-dimensional graphene were calculated purely from the atomic bonding (stretching and bending) based on molecular mechanics method. Considering the representative unit cell of graphene under various loading conditions, the deformations of carbon bonds and the variations of the interlayer distance could be realized numerically under the geometry constraints and minimum energy assumption. In elastic region, it was found that graphene was in-plane isotropic. Meanwhile, the in-plane deformation of the representative unit cell is not uniform along armchair direction due to the discrete and non-uniform distributions of the atoms. The fracture of graphene could be predicted using fracture criteria based on the critical bond length, over which the bond would break. It was noticed that the fracture behavior were directional dependent, which was consistent with molecular dynamics simulation results.

Keywords: Energy minimization, fracture, graphene, molecular mechanics.

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Authors: P. Kaewchanthuek, R. Rawonghad, B. Marungsri

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This paper presents the experimental results of high-density polyethylene cable spacers for 22 kV distribution systems under salt water dip wheel test based on IEC 62217. The strength of anti-tracking and anti-erosion of cable spacer surface was studied in this study. During the test, dry band arc and corona discharge were observed on cable spacer surface. After 30,000 cycles of salt water dip wheel test, obviously surface erosion and tracking were observed especially on the ground end. Chemical analysis results by fourier transforms infrared spectroscopy showed chemical changed from oxidation and carbonization reaction on tested cable spacer. Increasing of C=O and C=C bonds confirmed occurrence of these reactions.

Keywords: Cable spacer, HDPE, ageing of cable spacer, salt water dip wheel test.

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Authors: M. Khoshtinat, N. A. S. Amin, I. Noshadi

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Direct conversion of methane to methanol by partial oxidation in a thermal reactor has a poor yield of about 2% which is less than the expected economical yield of about 10%. Conventional thermal catalytic reactors have been proposed to be superseded by plasma reactors as a promising approach, due to strength of the electrical energy which can break C-H bonds of methane. Among the plasma techniques, non-thermal dielectric barrier discharge (DBD) plasma chemical process is one of the most future promising technologies in synthesizing methanol. The purpose of this paper is presenting a brief review of CH4 oxidation with O2 in DBD plasma reactors based on the recent investigations. For this reason, the effect of various parameters of reactor configuration, feed ratio, applied voltage, residence time (gas flow rate), type of applied catalyst, pressure and reactor wall temperature on methane conversion and methanol selectivity are discussed.

Keywords: Dielectric barrier discharge, methane, methanol, partial oxidation, Plasma.

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Authors: Mariya P. Aleksandrova, Ivelina N. Cholakova, Georgy K. Bodurov, Georgy D. Kolev, Georgy H. Dobrikov

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Indium-tin oxide films are deposited by low plasma temperature RF sputtering on highly flexible modification of glycol polyethyleneterephtalate substrates. The produced layers are characterized with transparency over 82 % and sheet resistance of 86.9 Ω/square. The film’s conductivity was further improved by additional UV illumination from light source (365 nm), having power of 250 W. The influence of the UV exposure dose on the structural and electro-optical properties of ITO was investigated. It was established that the optimum time of illumination is 10 minutes and further UV treatment leads to polymer substrates degradation. Structural and bonds type analysis show that at longer treatment carbon atoms release and diffuse into ITO films, which worsen their electrical behavior. For the optimum UV dose the minimum sheet resistance was measured to be 19.2 Ω/square, and the maximum transparency remained almost unchanged – above 82 %.

Keywords: Flexible displays, indium tin oxide, RF sputtering, UV treatment

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Authors: Khaoula Hidouri, Ali Benhmidene, Bechir Chouachi, Dhananjay R. Mishra, Ammar Houas

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Activated carbon DSAC36-24 iy is adsorbent materials, characterized by a specific surface area of 548.13 m²g⁻¹. Their manufacture uses the natural raw materials like the nucleus of dates. In this study the treatment is done in two stages: A chemical treatment by H₃PO₄ followed by a physical treatment under nitrogen for 1 hour then under stream of CO₂ for 24 hours. A characterization of the various parameters was determined such as the measurement of the specific surface area, determination of pHPZC, bulk density, iodine value. The study of the adsorption of organic molecules (hydroquinone, paranitrophenol, 2,4-dinitrophenol, 2,4,6-trinitrophenol) indicates that the adsorption phenomena are essentially due to the van der Waals interaction. In the case of organic molecules carrying the polar substituents, the existence of hydrogen bonds is also proved by the donor-acceptor forces. The study of the pH effect was done with modeling by different models (Langmuir, Freundlich, Langmuir-Freundlich, Redlich-Peterson), a kinetic treatment is also followed by the application of Lagergren, Weber, Macky.

Keywords: DSAC36-24, organic molecule, adsoprtion ishoterms, adsorption kinetics.

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Authors: N. Ullah, A. Haddad, F. Van Der Linde

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This paper investigates the effects of breaks in bonds, breaks in the earthing system and breaks in earth wire on the rise of the earth potential (EPR) in a substation and at the transmission tower bases using various models of an L6 tower. Different approaches were adopted to examine the integrity of the earthing system and the terminal towers. These effects were investigated to see the associated difference in the EPR magnitudes with respect to a healthy system at various locations. Comparisons of the computed EPR magnitudes were then made between the healthy and unhealthy system to detect any difference. The studies were conducted at power frequency for a uniform soil with different soil resistivities. It was found that full breaks in the double bond of the terminal towers increase the EPR significantly at the fault location, while they reduce EPR at the terminal tower bases. A fault on the isolated section of the grid can result in EPR values up to 8 times of those on a healthy system at higher soil resistivities, provided that the extended earthing system stays connected to the grid.

Keywords: Bonding, earthing, EPR, integrity, system.

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Authors: W. F. Ribeiro, J. L. N. Góes

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The industrial process adds to engineering wood products features absent in solid wood, with homogeneous structure and reduced defects, improved physical and mechanical properties, bio-deterioration, resistance and better dimensional stability, improving quality and increasing the reliability of structures wood. These features combined with using fast-growing trees, make them environmentally ecological products, ensuring a strong consumer market. The wood I-joists are manufactured by the industrial profiles bonding flange and web, an important aspect of the production of wooden I-beams is the adhesive joint that bonds the web to the flange. Adhesives can effectively transfer and distribute stresses, thereby increasing the strength and stiffness of the composite. The objective of this study is to evaluate different resins in a shear strain specimens with the aim of analyzing the most efficient resin and possibility of using national products, reducing the manufacturing cost. First was conducted a literature review, where established the geometry and materials generally used, then established and analyzed 8 national resins and produced six specimens for each.

Keywords: Engineered wood products, structural resin, wood i-joist.

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Authors: Yousra M. Zakaria Helmy, Edward H. Smith

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Lake Nasser is one of the largest reservoirs in the world. Over 120 million metric tons of sediments are deposited in its dead storage zone every year. The main objective of the present work was to determine the physical and chemical characteristics of Lake Nasser sediments. The sample had a relatively low surface area of 2.9 m2/g which increased more than 3-fold upon chemical activation. The main chemical elements of the raw sediments were C, O and Si with some traces of Al, Fe and Ca. The organic functional groups for the tested sample included O-H, C=C, C-H and C-O, with indications of Si-O and other metal-C and/or metal-O bonds normally associated with clayey materials. Potentiometric titration of the sample in different ionic strength backgrounds revealed an alkaline material with very strong positive surface charge at pH values just a little less than the pH of zero charge which is ~9. Surface interactions of the sediments with the background electrolyte were significant. An advanced surface complexation model was able to capture these effects, employing a single-site approach to represent protolysis reactions in aqueous solution, and to determine the significant surface species in the pH range of environmental interest.

Keywords: Lake Nasser, sediments, surface characterization

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Authors: Setareh Shekarsaraei, Marjan Moridi, Nasser L. Hadipour

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In this study, nuclear magnetic resonance spectroscopy and nuclear quadrupole resonance spectroscopy parameters of 14N (Nitrogen in imidazole ring) in N–H…O hydrogen bonding for Histidine hydrochloride monohydrate were calculated via density functional theory. We considered a five-molecule model system of Histidine hydrochloride monohydrate. Also we examined the trends of environmental effect on hydrogen bonds as well as cooperativity. The functional used in this research is M06-2X which is a good functional and the obtained results has shown good agreement with experimental data. This functional was applied to calculate the NMR and NQR parameters. Some correlations among NBO parameters, NMR and NQR parameters have been studied which have shown the existence of strong correlations among them. Furthermore, the geometry optimization has been performed using M062X/6-31++G(d,p) method. In addition, in order to study cooperativity and changes in structural parameters, along with increase in cluster size, natural bond orbitals have been employed.

Keywords: Hydrogen bonding, Density Functional Theory (DFT), Natural bond Orbitals (NBO), cooperativity effects.

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Authors: Geeta Negi, Pankaj, Anjana Srivastava, Anita Sharma

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In the present study, presence of endosulfan, imidacloprid, carbendazim, in the soil /vegetables/cereals and water samples was observed in agriculture fields of Uttarakhand. In view of biodegradation of these pesticides, 9 bacterial isolates were recovered from the soil samples of the fields which tolerated endosulfan, imidacloprid, carbendazim from 100 to 200 µg/ml. Three bacterial consortia used for in vitro bioremediation experiments were consisted of 3 bacterial isolates for carbendazim, imidacloprid and endosulfan, respectively. Maximum degradation (87 and 83%) of α and β endosulfan respectively was observed in soil slurry by consortium. Degradation of Imidacloprid and carbendazim under similar conditions was 88.4 and 77.5% respectively. FT-IR analysis of biodegraded samples of pesticides in liquid media showed stretching of various bonds. GC-MS of biodegraded endosulfan sample in soil slurry showed the presence of nontoxic intermediates. A pot trial with Bacterial treatments lowered down the uptake of pesticides in onion plants.

Keywords: Biodegradation, carbendazim, consortium, Endosulfan.

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Authors: Naser Ahmadi Sani, Karim Solaimani, Lida Razaghnia, Jalal Zandi

Abstract:

In recent decades, rapid and incorrect changes in land-use have been associated with consequences such as natural resources degradation and environmental pollution. Detecting changes in land-use is one of the tools for natural resource management and assessment of changes in ecosystems. The target of this research is studying the land-use changes in Haraz basin with an area of 677000 hectares in a 15 years period (1996 to 2011) using LANDSAT data. Therefore, the quality of the images was first evaluated. Various enhancement methods for creating synthetic bonds were used in the analysis. Separate training sites were selected for each image. Then the images of each period were classified in 9 classes using supervised classification method and the maximum likelihood algorithm. Finally, the changes were extracted in GIS environment. The results showed that these changes are an alarm for the HARAZ basin status in future. The reason is that 27% of the area has been changed, which is related to changing the range lands to bare land and dry farming and also changing the dense forest to sparse forest, horticulture, farming land and residential area.

Keywords: HARAZ Basin, Change Detection, Land-use, Satellite Data.

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Authors: Chihhao Fan, Ming-Chu Liao

Abstract:

The purpose of this study is to investigate the chemical degradation of the organophosphorus pesticide of parathion and carbamate insecticide of methomyl in the aqueous phase through Fenton process. With the employment of batch Fenton process, the degradation of the two selected pesticides at different pH, initial concentration, humic acid concentration, and Fenton reagent dosages was explored. The Fenton process was found effective to degrade parathion and methomyl. The optimal dosage of Fenton reagents (i.e., molar concentration ratio of H2O2 to Fe2+) at pH 7 for parathion degradation was equal to 3, which resulted in 50% removal of parathion. Similarly, the optimal dosage for methomyl degradation was 1, resulting in 80% removal of methomyl. This study also found that the presence of humic substances has enhanced pesticide degradation by Fenton process significantly. The mass spectroscopy results showed that the hydroxyl free radical may attack the single bonds with least energy of investigated pesticides to form smaller molecules which is more easily to degrade either through physio-chemical or bilolgical processes.

Keywords: Fenton Process, humic acid, methomyl, parathion, pesticides

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