Search results for: Constants
56 The Influence of Some Polyphenols on Human Erythrocytes Glutathione S-Transferase Activity
Authors: Mustafa Erat
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Glutathione S-transferase was purified from human erythrocytes and effects of some polyphenols were investigated on the enzyme activity. The purification procedure was performed on Glutathione-Agarose affinity chromatography after preparation of erythrocytes hemolysate with a yield of 81%. The purified enzyme showed a single band on the SDS-PAGE. The effects of some poliphenolic compounds such as catechin, dopa, dopamine, progallol and catechol were examined on the in vitro GST activity. Catechin was determined to be inhibitor for the enzyme, but others were not effective on the enzyme as inhibitors or activators. IC50 value -the concentration of inhibitor which reduces enzyme activity by 50%- was estimated to be 10 mM. Ki constants were also calculated as 6.38 ± 0,70 mM with GSH substrate, and 3.86 ± 0,78 mM with CDNB substrate using the equations of graphs for the inhibitor, and its inhibition type was determined as non-competitive.
Keywords: Drug resistance, Glutathione S-transferase, Inhibition.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 217955 Ten Limit Cycles in a Quintic Lyapunov System
Authors: Li Feng
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In this paper, center conditions and bifurcation of limit cycles at the nilpotent critical point in a class of quintic polynomial differential system are investigated.With the help of computer algebra system MATHEMATICA, the first 10 quasi Lyapunov constants are deduced. As a result, sufficient and necessary conditions in order to have a center are obtained. The fact that there exist 10 small amplitude limit cycles created from the three order nilpotent critical point is also proved. Henceforth we give a lower bound of cyclicity of three-order nilpotent critical point for quintic Lyapunov systems. At last, we give an system which could bifurcate 10 limit circles.
Keywords: Three-order nilpotent critical point, center-focus problem, bifurcation of limit cycles, Quasi-Lyapunov constant.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 140154 Stability Bound of Ruin Probability in a Reduced Two-Dimensional Risk Model
Authors: Zina Benouaret, Djamil Aissani
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In this work, we introduce the qualitative and quantitative concept of the strong stability method in the risk process modeling two lines of business of the same insurance company or an insurance and re-insurance companies that divide between them both claims and premiums with a certain proportion. The approach proposed is based on the identification of the ruin probability associate to the model considered, with a stationary distribution of a Markov random process called a reversed process. Our objective, after clarifying the condition and the perturbation domain of parameters, is to obtain the stability inequality of the ruin probability which is applied to estimate the approximation error of a model with disturbance parameters by the considered model. In the stability bound obtained, all constants are explicitly written.Keywords: Markov chain, risk models, ruin probabilities, strong stability analysis.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 87053 Removal of Phenylurea Herbicides from Waters by using Chemical Oxidation Treatments
Authors: F. Javier Benitez, Carolina Garcia, Juan Luis Acero, Francisco J. Real
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Four phenylurea herbicides (isoproturon, chlortoluron, diuron and linuron) were dissolved in different water matrices in order to study their chemical degradation by using UV radiation, ozone and some advanced oxidation processes (UV/H2O2, O3/H2O2, Fenton reagent and the photo- Fenton system). The waters used were: ultra-pure water, a commercial mineral water, a groundwater and a surface water taken from a reservoir. Elimination levels were established for each herbicide and for several global quality parameters, and a kinetic study was performed in order to determine basic kinetic parameters of each reaction between the target phenylureas and these oxidizing systems.
Keywords: Phenylurea herbicides, UV radiation; Ozone, Fenton reagent, Hydroxyl radicals, Rate constants, Quantum yields
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 192452 Study of Structural and Electronic Properties of Ternary PdMnGe Half-Heusler Alloy
Authors: F. Bendahma, M. Mana, B. Bestani, S. Bentata
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This study deals with the structural and electronic properties of ternary PdMnGe Half-Heusler alloy using the full potential linearized augmented plane wave (FP-LAPW) method based on the density functional theory (DFT) as implemented in the WIEN2k package, within the framework of generalized gradient approximation (GGA). Structural parameters, total and partial densities of states were also analyzed. The obtained result shows that the studied material is metallic in GGA treatment. The elastic constants (Cij) show that our compound is ductile, stiff and anisotropic.
Keywords: Full potential linearized augmented plane wave, generalized gradient approximation treatment, Half-Heusler, structural and electronic properties.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 63351 Kinetics of Cu (II) Transport through Bulk Liquid Membrane with Different Membrane Materials
Authors: Siu Hua Chang, Ayub Md Som, Jagannathan Krishnan
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The kinetics of Cu(II) transport through a bulk liquid membrane with different membrane materials was investigated in this work. Three types of membrane materials were used: fresh cooking oil, waste cooking oil and kerosene, each of which was mixed with di-2-ethylhexylphosphoric acid (carrier) and tributylphosphate (modifier). Kinetic models derived from the kinetic laws of two consecutive irreversible first-order reactions were used to study the facilitated transport of Cu(II) across the source, membrane and receiving phases of bulk liquid membrane. It was found that the transport kinetics of Cu(II) across the source phase was not affected by different types of membrane materials but decreased considerably when the membrane materials changed from kerosene, waste cooking oil to fresh cooking oil. The rate constants of Cu(II) removal and recovery processes through the bulk liquid membrane were also determined.
Keywords: Transport kinetics, Cu(II), bulk liquid membrane, waste cooking oil.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 164950 Removal of Methylene Blue Dye Using Roselle Petals from Aqueous Solutions
Authors: Abdulali Ben Saleh, Mohamed Abudabbus
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The present study based on removal of natural dyes of Roselle petals, then used Roselle petals powder (RPP) as an adsorbent for the removal of methylene blue dye (as a typical cationic or basic dye) from aqueous solutions. The present study shows that used Roselle petals powder exhibit adsorption trend for the dye. The adsorption processes were carried out at various conditions of temperatures ranging from 278 to 338 K ± 2 K , concentrations, processing time and a wide range of pH between 2.5-11. Adsorption isotherm equations such as Freundlich, and Langmuir were applied to calculate the values of respective constants. Adsorption study was found that the currently introduced adsorbent can be used to remove cationic dyes such as methylene blue from aqueous solutions.Keywords: Adsorption, methylene blue, removal of dyes, Roselle petals powder.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 195049 Pseudo-Homogeneous Kinetic of Dilute-Acid Hydrolysis of Rice Husk for Ethanol Production: Effect of Sugar Degradation
Authors: Megawati, Wahyudi B. Sediawan, Hary Sulistyo, Muslikhin Hidayat
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Rice husk is a lignocellulosic source that can be converted to ethanol. Three hundreds grams of rice husk was mixed with 1 L of 0.18 N sulfuric acid solutions then was heated in an autoclave. The reaction was expected to be at constant temperature (isothermal), but before that temperature was achieved, reaction has occurred. The first liquid sample was taken at temperature of 140 0C and repeated every 5 minute interval. So the data obtained are in the regions of non-isothermal and isothermal. It was observed that the degradation has significant effects on the ethanol production. The kinetic constants can be expressed by Arrhenius equation with the frequency factors for hydrolysis and sugar degradation of 1.58 x 105 1/min and 2.29 x 108 L/mole/min, respectively, while the activation energies are 64,350 J/mole and 76,571 J/mole. The highest ethanol concentration from fermentation is 1.13% v/v, attained at 220 0C.Keywords: degradation, ethanol, hydrolysis, rice husk
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 196248 Pseudo-Homogeneous Kinetic of Dilute-Acid Hydrolysis of Rice Huskfor Ethanol Production: Effect of Sugar Degradation
Authors: Megawati, Wahyudi B. Sediawan, Hary Sulistyo, Muslikhin Hidayat
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Rice husk is a lignocellulosic source that can be converted to ethanol. Three hundreds grams of rice husk was mixed with 1 L of 0.18 N sulfuric acid solutions then was heated in an autoclave. The reaction was expected to be at constant temperature (isothermal), but before that temperature was achieved, reaction has occurred. The first liquid sample was taken at temperature of 140 0C and repeated every 5 minute interval. So the data obtained are in the regions of non-isothermal and isothermal. It was observed that the degradation has significant effects on the ethanol production. The kinetic constants can be expressed by Arrhenius equation with the frequency factors for hydrolysis and sugar degradation of 1.58 x 105 min-1 and 2.29 x 108 L/mole-min, respectively, while the activation energies are 64,350 J/mole and 76,571 J/mole. The highest ethanol concentration from fermentation is 1.13% v/v, attained at 220 0C.Keywords: degradation, ethanol, hydrolysis, rice husk.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 201847 New Malate Dehydrogenase-Glutamate Oxaolacetate Aminotransferase Glutamate Oxaloacetate Aminotransferase Enzyme System from Cereals and its Bioengineering Application
Authors: Zhanar S. Kudiyarova, Zhanar K. Rakhmetova, L. K. Bekbayeva, N. Z. Omirbekova, M. K. Gilmanov
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Malate dehydrogenase-glutamate oxaloacetate aminotransferase (MDh-GOAT) enzyme complex (the EC) was isolated and purified from wheat and rise, their some main physicchemical properties were studied. Michael-s constants of the EC MDh-GOAT to malate, glutamate and NAD were investigated. This kinetic results show a high relationship to glutamate. Taking into account important role of the the EC in catabolism of glutamate – the central amino acid of a nitric exchange, there is a sharp necessity of deeper studying of this enzyme complex. Therefore the basic purpose of the work is studying the basic physical and chemical properties of this enzyme complex discovered by us, which would be very important for understanding the mechanisms of reaction catalyzed by the EC.Keywords: Malate dehydrogenase-glutamate oxaloacetate aminotransferase, enzyme complex, glutamate.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 139046 Investigating the Treatability of a Compost Leachate in a Hybrid Anaerobic Reactor: An Experimental Study
Authors: Shima Rajabi, Leila Vafajoo
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Compost manufacturing plants are one of units where wastewater is produced in significantly large amounts. Wastewater produced in these plants contains high amounts of substrate (organic loads) and is classified as stringent waste which creates significant pollution when discharged into the environment without treatment. A compost production plant in the one of the Iran-s province treating 200 tons/day of waste is one of the most important environmental pollutant operations in this zone. The main objectives of this paper are to investigate the compost wastewater treatability in hybrid anaerobic reactors with an upflow-downflow arrangement, to determine the kinetic constants, and eventually to obtain an appropriate mathematical model. After starting the hybrid anaerobic reactor of the compost production plant, the average COD removal rate efficiency was 95%.Keywords: Leachate treatment, anaerobic hybrid reactor
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 182845 Prediction of Henry's Constant in Polymer Solutions using the Peng-Robinson Equation of State
Authors: Somayeh Tourani, Alireza Behvandi
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The peng-Robinson (PR), a cubic equation of state (EoS), is extended to polymers by using a single set of energy (A1, A2, A3) and co-volume (b) parameters per polymer fitted to experimental volume data. Excellent results for the volumetric behavior of the 11 polymer up to 2000 bar pressure are obtained. The EoS is applied to the correlation and prediction of Henry constants in polymer solutions comprising three polymer and many nonpolar and polar solvents, including supercritical gases. The correlation achieved with two adjustable parameter is satisfactory compared with the experimental data. As a result, the present work provides a simple and useful model for the prediction of Henry's constant for polymer containing systems including those containing polar, nonpolar and supercritical fluids.
Keywords: Equation of state, Henry's constant, Peng-Robinson, polymer solution.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 211744 Modeling of a Vehicle Wheel System Having a Built-in Suspension Structure Consisted of Radially Deployed Colloidal Spokes between Hub and Rim
Authors: Barenten Suciu
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In this work, by replacing the traditional solid spokes with colloidal spokes, a vehicle wheel with a built-in suspension structure is proposed. Following the background and description of the wheel system, firstly, a vibration model of the wheel equipped with colloidal spokes is proposed, and based on such model the equivalent damping coefficients and spring constants are identified. Then, a modified model of a quarter-vehicle moving on a rough pavement is proposed in order to estimate the transmissibility of vibration from the road roughness to vehicle body. In the end, the optimal design of the colloidal spokes and the optimum number of colloidal spokes are decided in order to minimize the transmissibility of vibration, i.e., to maximize the ride comfort of the vehicle.
Keywords: Built-in suspension, colloidal spoke, intrinsic spring, vibration analysis, wheel.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 192643 Kinetics of Polyethylene Terephthalate (PET)and Polystyrene (PS) Dynamic Pyrolysis
Authors: S.M. Al-Salem, P. Lettieri
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Thermo-chemical treatment (TCT) such as pyrolysis is getting recognized as a valid route for (i) materials and valuable products and petrochemicals recovery; (ii) waste recycling; and (iii) elemental characterization. Pyrolysis is also receiving renewed attention for its operational, economical and environmental advantages. In this study, samples of polyethylene terephthalate (PET) and polystyrene (PS) were pyrolysed in a microthermobalance reactor (using a thermogravimetric-TGA setup). Both polymers were prepared and conditioned prior to experimentation. The main objective was to determine the kinetic parameters of the depolymerization reactions that occur within the thermal degradation process. Overall kinetic rate constants (ko) and activation energies (Eo) were determined using the general kinetics theory (GKT) method previously used by a number of authors. Fitted correlations were found and validated using the GKT, errors were within ± 5%. This study represents a fundamental step to pave the way towards the development of scaling relationship for the investigation of larger scale reactors relevant to industry.Keywords: Kinetics, PET, PS, Pyrolysis, Recycling, Petrochemicals.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 372142 Field Investigation on Modification of Japanese Cedar Pollen Allergen in Urban Air-Polluted Area
Authors: Qingyue Wang, Jun Morita, Shinichi Nakamura, Di Wu, Xiumin Gong, Miho Suzuki, Makoto Miwa, Daisuke Nakajima
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Cry j 1 is a causative substance of Japanese cedar pollinosis, and it may deteriorate by Cry j 1 invasion to a lower respiratory tract. We observed airborne particles containing Cry j 1 by an immunofluorescence technique using a fluorescence microscope, and we clarified that Cry j 1 exist as aggregates of airborne fine particles (< 1.1 μm) in the urban atmosphere. Airborne Cry j 1 may react with air pollutants and be denature to a substance deteriorated Japanese cedar pollinosis. Therefore, we applied a sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) to evaluate a Cry j 1 reacted with various air pollutants by liquid phase reaction, and calculated kinetics constants of Cry j 1 extracted from pollens collected in various sites and airborne fine particles containing Cry j 1 by using a surface plasmon resonance (SPR) method. As a result, it is suggested that Cry j 1 may be denatured by air pollutants during the transportation to the urban atmosphere.Keywords: Cry j 1, Japanese cedar pollinosis, SDS-PAGE, SPR
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 209041 Some Rotational Flows of an Incompressible Fluid of Variable Viscosity
Authors: Rana Khalid Naeem, Waseem Ahmed Khan, Muhammad Akhtar, Asif Mansoor
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The Navier Stokes Equations (NSE) for an incompressible fluid of variable viscosity in the presence of an unknown external force in Von-Mises system x,\ are transformed, and some new exact solutions for a class of flows characterized by equation y f x a\b for an arbitrary state equation are determined, where f x is a function, \ the stream function, a z 0 and b are the arbitrary constants. In three, out of four cases, the function f x is arbitrary, and the solutions are the solutions of the flow equations for all the flows characterized by the equationy f x a\b. Streamline patterns for some forms of f x in unbounded and bounded regions are given.
Keywords: Bounded and unbounded region, Exact solution, Navier Stokes equations, Streamline pattern, Variable viscosity, Von- Mises system
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 141540 New Kinetic Approach to the Enzymatic Hydrolysis of Proteins – A Case of Thermolysin-Catalyzed Albumin
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 263439 The Effect of the Initial Stresses on the Reflection and Transmission of Plane Quasi-Vertical Transverse Waves in Piezoelectric Materials
Authors: Abo-El-Nour N. Abd-Alla, Fatimah A. Alsheikh
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This study deals with the phenomena of reflection and transmission (refraction) of qSV-waves, for an incident of quasi transverse vertically waves, at a plane interface of two semi-infinite piezoelectric elastic media under the influence of the initial stresses. The relations governing the reflection and transmission coefficients of these reflected waves for various suitable boundary conditions are derived. We have shown analytically that reflection and transmission coefficients of (qP) and (qSV) waves depend upon the angle of incidence, the parameters of electric potential, the material constants of the medium as will as the initial stresses presented in the media. The numerical calculations of the reflection and transmission amplitude ratios for different values of initial stresses have been carried out by computer for different materials as examples and the results are given in the form of graphs. Finally, some of particular cases are considered.
Keywords: Quasi plane vertical transverse waves, reflection and transmission coefficients, initial stresses, PZT-5H Ceramic, Aluminum Nitride (AlN), Piezoelectricity
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 121038 Modeling of a Stewart Platform for Analyzing One Directional Dynamics for Spacecraft Docking Operations
Authors: Leonardo Herrera, Shield B. Lin, Stephen J. Montgomery-Smith, Ziraguen O. Williams
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A one-directional dynamic model of a Stewart Platform was developed to assist NASA in analyzing the dynamic response in spacecraft docking operations. A simplified mechanical drawing was created, capturing the physical structure's main features. A simplified schematic diagram was developed into a lumped mass model from the mechanical drawing. Three differential equations were derived according to the schematic diagram. A Simulink diagram was created using MATLAB to represent the three equations. System parameters, including spring constants and masses, are derived in detail from the physical system. The model can be used for further analysis via computer simulation in predicting dynamic response in its main docking direction, i.e., up-and-down motion.
Keywords: Stewart platform, docking operation, spacecraft, spring constant.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3537 First Principles Study of Structural and Elastic Properties of BaWO4 Scheelite Phase Structure under Pressure
Authors: A. Benmakhlouf, A. Bentabet
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In this paper, we investigated the athermal pressure behavior of the structural and elastic properties of scheelite BaWO4 phase up to 7 GPa using the ab initio pseudo-potential method. The calculated lattice parameters pressure relation have been compared with the experimental values and found to be in good agreement with these results. Moreover, we present for the first time the investigation of the elastic properties of this compound using the density functional perturbation theory (DFPT). It is shown that this phase is mechanically stable up to 7 GPa after analyzing the calculated elastic constants. Other relevant quantities such as bulk modulus, pressure derivative of bulk modulus, shear modulus; Young’s modulus, Poisson’s ratio, anisotropy factors, Debye temperature and sound velocity have been calculated. The obtained results, which are reported for the first time to the best of the author’s knowledge, can facilitate assessment of possible applications of the title material.Keywords: Pseudo-potential method, pressure, structural and elastic properties, scheelite BaWO4 phase.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 210636 Investigation of Drying Kinetics of Viscose Yarn Bobbins
Authors: Ugur Akyol, Dinçer Akal, Ahmet Cihan, Kamil Kahveci
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This study is concerned with the investigation of the suitability of several empirical and semi-empirical drying models available in the literature to define drying behavior of viscose yarn bobbins. For this purpose, firstly, experimental drying behaviour of viscose bobbins was determined on an experimental dryer setup which was designed and manufactured based on hot-air bobbin dryers used in textile industry. Afterwards, drying models considered were fitted to the experimentally obtained moisture ratios. Drying parameters were drying temperature and bobbin diameter. The fit was performed by selecting the values for constants in the models in such a way that these values make the sum of the squared differences between the experimental and the model results for moisture ratio minimum. Suitability of fitting was specified as comparing the correlation coefficient, standard error and mean square deviation. The results show that the most appropriate model in describing the drying curves of viscose bobbins is the Page model.Keywords: Drying, moisture ratio, Page model, viscose
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 174235 Bioconversion of Biodiesel Derived Crude Glycerol by Immobilized Clostridium pasteurianum: Effect of Temperature
Authors: Swati Khanna, Arun Goyal, Vijayanand S. Moholkar
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Batch fermentation of 5, 10 and 25 g/L biodiesel derived crude glycerol was carried out at 30, 37 and 450C by Clostridium pasteurianum cells immobilized on silica. Maximum yield of 1,3-propanediol (PDO) (0.60 mol/mol), and ethanol (0.26 mol/mol) were obtained from 10 g/L crude glycerol at 30 and 370C respectively. Maximum yield of butanol (0.28 mol/mol substrate added) was obtained at 370C with 25 g/L substrate. None of the three products were detected at 45oC even after 10 days of fermentation. Only traces of ethanol (0.01 mol/mol) were detected at 450C with 5 g/L substrate. The results obtained for 25 g/L substrate utilization were fitted in first order rate equation to obtain the values of rate constant at three different temperatures for bioconversion of glycerol. First order rate constants for bioconversion of glycerol at 30, 37 and 45oC were found to be 0.198, 0.294 and 0.029/day respectively. Activation energy (Ea) for crude glycerol bioconversion was calculated to be 57.62 kcal/mol.Keywords: activation energy, Clostridium pasteurianum, crude glycerol, immobilization
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 207734 Influences of Si and C- Doping on the Al-27 and N-14 Quardrupole Coupling Constants in AlN Nanotubes: A DFT Study
Authors: A.Seif, H.Aghaie, K.Majlesi
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A computational study at the level density functional theory (DFT) was carried out to investigate the influences of Si and C-doping on the 14N and 27Al quadrupole coupling constant in the (10, 0) zigzag single ? walled Aluminum-Nitride nanotube (AlNNT). To this aim, a 1.16nm, length of AlNNT consisting of 40 Al atoms and 40 N atoms were selected where the end atoms are capped by hydrogen atom. To follow the purpose, three Si atoms and three C atoms were doped instead of three Al atoms and three N atoms as a central ring in the surface of the Si and C-doped AlNNT. At first both of systems optimized at the level of BLYP method and 6-31G (d) basis set and after that, the NQR parameters were calculated at the level BLYP method and 6-311+G** basis set in two optimized forms. The calculate CQ values for both optimized AlNNT systems, raw and Si and C-doped, reveal different electronic environments in the mentioned systems. It was also demonstrated that the end nuclei have the largest CQ values in both considered AlNNT systems. All the calculations were carried out using Gaussian 98 package of program.Keywords: DFT, Quadrupole Coupling Constant, Si and CDoping, Single-Walled AlN nanotubes.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 154133 Density Functional Calculations of N-14 andB-11 NQR Parameters in the H-capped (5, 5)Single-Wall BN Nanotube
Authors: Ahmad Seif, Karim Zare, Asadallah Boshra, Mehran Aghaie
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Density functional theory (DFT) calculations were performed to compute nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative model of armchair boron nitride nanotube (BNNT) for the first time. The considered model consisting of 1 nm length of H-capped (5, 5) single-wall BNNT were first allowed to fully relax and then the NQR calculations were carried out on the geometrically optimized model. The evaluated nuclear quadrupole coupling constants and asymmetry parameters for the mentioned nuclei reveal that the model can be divided into seven layers of nuclei with an equivalent electrostatic environment where those nuclei at the ends of tubes have a very strong electrostatic environment compared to the other nuclei along the length of tubes. The calculations were performed via Gaussian 98 package of program.Keywords: Armchair Nanotube, Density Functional Theory, Nuclear Quadrupole Resonance.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 177232 An Improved Single Point Closure Model Based on Dissipation Anisotropy for Geophysical Turbulent Flows
Authors: A. P. Joshi, H. V. Warrior, J. P. Panda
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This paper is a continuation of the work carried out by various turbulence modelers in Oceanography on the topic of oceanic turbulent mixing. It evaluates the evolution of ocean water temperature and salinity by the appropriate modeling of turbulent mixing utilizing proper prescription of eddy viscosity. Many modelers in past have suggested including terms like shear, buoyancy and vorticity to be the parameters that decide the slow pressure strain correlation. We add to it the fact that dissipation anisotropy also modifies the correlation through eddy viscosity parameterization. This recalibrates the established correlation constants slightly and gives improved results. This anisotropization of dissipation implies that the critical Richardson’s number increases much beyond unity (to 1.66) to accommodate enhanced mixing, as is seen in reality. The model is run for a couple of test cases in the General Ocean Turbulence Model (GOTM) and the results are presented here.
Keywords: Anisotropy, GOTM, pressure-strain correlation, Richardson Critical number.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 93431 Binding Ability of Carbazolylphenyl Dendrimers with Zinc (II) Tetraphenylporphyrin Core towards Cryptands
Authors: Galina Mamardashvili, Nugzar Mamardashvili, Win Dehaen
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The processes of complexation of the Zn-tetraarylporphyrins with eight 4-(4-(3,6-bis(t-butyl)carbazol-9-yl-phenyl)-1,2,3-triazole (ZnP1) and eight 4-(4-(3,6-di-tert-butyl-9-H-carbazol-9-yl)phenoxy)methyl)-2,4,6-trimethylphenyl (ZnP2)with the 1,10-diaza-4,7,13,18tetraoxabicyclo[8.5.5]eicosane (L1),1,10-diaza-4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane (L2)and 1,10-diaza-5,6,14,15-dibenzo-4,7,13,16,21,24 hexaoxabicyclo[8.8.8] hexacosane (L3) were investigated by the method of spectrophotometric titration and 1H NMR-spectroscopy. We determined the structures of the host-guest complexes, and their stability constants in toluene were calculated. It was found out that the ZnP1 interacts with the guest molecules L1, L2 with the formation of stable "nest" type complexes and does not form similar complexes with the L3 (presumably due to the fact that the L3 does not match the size of the porphyrin ZnP(1) cavity). On the other hand, the porphyrin ZnP2 binds all of the ligands L1-L3, however complexes thus formed are less stable than complexes ZnP1-L1, ZnP1-L2. In the report, we will also discuss the influence of the alkali cations additives on the stability of the complexes between the porphyrin ZnP1, ZnP2 hosts and guest molecules of the ligands L1-L3.
Keywords: Porphyrin, cryptand, cation, complex guest-host.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 75330 Material Parameter Identification of Modified AbdelKarim-Ohno Model
Authors: M. Cermak, T. Karasek, J. Rojicek
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The key role in phenomenological modelling of cyclic plasticity is good understanding of stress-strain behaviour of given material. There are many models describing behaviour of materials using numerous parameters and constants. Combination of individual parameters in those material models significantly determines whether observed and predicted results are in compliance. Parameter identification techniques such as random gradient, genetic algorithm and sensitivity analysis are used for identification of parameters using numerical modelling and simulation. In this paper genetic algorithm and sensitivity analysis are used to study effect of 4 parameters of modified AbdelKarim-Ohno cyclic plasticity model. Results predicted by Finite Element (FE) simulation are compared with experimental data from biaxial ratcheting test with semi-elliptical loading path.
Keywords: Genetic algorithm, sensitivity analysis, inverse approach, finite element method, cyclic plasticity, ratcheting.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 236929 Useful Lifetime Prediction of Rail Pads for High Speed Trains
Authors: Chang Su Woo, Hyun Sung Park
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Useful lifetime evaluation of railpads were very important in design procedure to assure the safety and reliability. It is, therefore, necessary to establish a suitable criterion for the replacement period of rail pads. In this study, we performed properties and accelerated heat aging tests of rail pads considering degradation factors and all environmental conditions including operation, and then derived a lifetime prediction equation according to changes in hardness, thickness, and static spring constants in the Arrhenius plot to establish how to estimate the aging of rail pads. With the useful lifetime prediction equation, the lifetime of e-clip pads was 2.5 years when the change in hardness was 10% at 25°C; and that of f-clip pads was 1.7 years. When the change in thickness was 10%, the lifetime of e-clip pads and f-clip pads is 2.6 years respectively. The results obtained in this study to estimate the useful lifetime of rail pads for high speed trains can be used for determining the maintenance and replacement schedule for rail pads.
Keywords: Rail pads, accelerated test, Arrhenius plot, useful lifetime prediction.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 279328 A Simulation Study of E-Glass Reinforced Polyurethane Footbed and Investigation of Parameters Effecting Elastic Behaviour of Footbed Material
Authors: Berkay Ergene, Çağın Bolat
Abstract:
In this study, we mainly focused on a simulation study regarding composite footbed in order to contribute to shoe industry. As a footbed, e-glass fiber reinforced polyurethane was determined since polyurethane based materials are already used for footbed in shoe manufacturing frequently. Flat, elliptical and rectangular grooved shoe soles were modeled and analyzed separately as TPU, 10% glass fiber reinforced, 30% glass fiber reinforced and 50% glass fiber reinforced materials according to their properties under three point bending and compression situations to determine the relationship between model, material type and mechanical behaviours of composite model. ANSYS 14.0 APDL mechanical structural module is utilized in all simulations and analyzed stress and strain distributions for different footbed models and materials. Furthermore, materials constants like young modulus, shear modulus, Poisson ratio and density of the composites were calculated theoretically by using composite mixture rule and interpreted for mechanical aspects.Keywords: Composite, elastic behaviour, footbed, simulation.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 74127 Mixed Convection Boundary Layer Flows Induced by a Permeable Continuous Surface Stretched with Prescribed Skin Friction
Authors: Mohamed Ali
Abstract:
The boundary layer flow and heat transfer on a stretched surface moving with prescribed skin friction is studied for permeable surface. The surface temperature is assumed to vary inversely with the vertical direction x for n = -1. The skin friction at the surface scales as (x-1/2) at m = 0. The constants m and n are the indices of the power law velocity and temperature exponent respectively. Similarity solutions are obtained for the boundary layer equations subject to power law temperature and velocity variation. The effect of various governing parameters, such as the buoyancy parameter λ and the suction/injection parameter fw for air (Pr = 0.72) are studied. The choice of n and m ensures that the used similarity solutions are x independent. The results show that, assisting flow (λ > 0) enhancing the heat transfer coefficient along the surface for any constant value of fw. Furthermore, injection increases the heat transfer coefficient but suction reduces it at constant λ.Keywords: Stretching surface, Boundary layers, Prescribed skin friction, Suction or injection, similarity solutions, buoyancy effects.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1844