Search results for: catalytic cracking
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 240

Search results for: catalytic cracking

150 Alumina Supported Cu-Mn-La Catalysts for CO and VOCs Oxidation

Authors: Elitsa N. Kolentsova, Dimitar Y. Dimitrov, Petya Cv. Petrova, Georgi V. Avdeev, Diana D. Nihtianova, Krasimir I. Ivanov, Tatyana T. Tabakova

Abstract:

Recently, copper and manganese-containing systems are recognized as active and selective catalysts in many oxidation reactions. The main idea of this study is to obtain more information about γ-Al2O3 supported Cu-La catalysts and to evaluate their activity to simultaneous oxidation of CO, CH3OH and dimethyl ether (DME). The catalysts were synthesized by impregnation of support with a mixed aqueous solution of nitrates of copper, manganese and lanthanum under different conditions. XRD, HRTEM/EDS, TPR and thermal analysis were performed to investigate catalysts’ bulk and surface properties. The texture characteristics were determined by Quantachrome Instruments NOVA 1200e specific surface area and pore analyzer. The catalytic measurements of single compounds oxidation were carried out on continuous flow equipment with a four-channel isothermal stainless steel reactor in a wide temperature range. On the basis of XRD analysis and HRTEM/EDS, it was concluded that the active component of the mixed Cu-Mn-La/γ–alumina catalysts strongly depends on the Cu/Mn molar ratio and consisted of at least four compounds – CuO, La2O3, MnO2 and Cu1.5Mn1.5O4. A homogeneous distribution of the active component on the carrier surface was found. The chemical composition strongly influenced catalytic properties. This influence was quite variable with regards to the different processes.

Keywords: Supported copper-manganese-lanthanum catalysts.

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149 Conformation Prediction of Human Plasmin and Docking on Gold Nanoparticle

Authors: Wen-Shyong Tzou, Chih-Ching Huang, Chin-Hwa Hu, Ying-Tsang Lo, Tun-Wen Pai, Chia-Yin Chiang, Chung-Hao Li, Hong-Jyuan Jian

Abstract:

Plasmin plays an important role in the human circulatory system owing to its catalytic ability of fibrinolysis. The immediate injection of plasmin in patients of strokes has intrigued many scientists to design vectors that can transport plasmin to the desired location in human body. Here we predict the structure of human plasmin and investigate the interaction of plasmin with the gold-nanoparticle. Because the crystal structure of plasminogen has been solved, we deleted N-terminal domain (Pan-apple domain) of plasminogen and generate a mimic of the active form of this enzyme (plasmin). We conducted a simulated annealing process on plasmin and discovered a very large conformation occurs. Kringle domains 1, 4 and 5 had been observed to leave its original location relative to the main body of the enzyme and the original doughnut shape of this enzyme has been transformed to a V-shaped by opening its two arms. This observation of conformational change is consistent with the experimental results of neutron scattering and centrifugation. We subsequently docked the plasmin on the simulated gold surface to predict their interaction. The V-shaped plasmin could utilize its Kringle domain and catalytic domain to contact the gold surface. Our findings not only reveal the flexibility of plasmin structure but also provide a guide for the design of a plasmin-gold nanoparticle.

Keywords: Docking, gold nanoparticle, molecular simulation, plasmin.

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148 Alumina Supported Cu-Mn-Cr Catalysts for CO and VOCs Oxidation

Authors: Krasimir I. Ivanov, Elitsa N. Kolentsova, Dimitar Y. Dimitrov, Petya Ts. Petrova, Tatyana T. Tabakova

Abstract:

This work studies the effect of chemical composition on the activity and selectivity of γ–alumina supported CuO/ MnO2/Cr2O3 catalysts toward deep oxidation of CO, dimethyl ether (DME) and methanol. The catalysts were prepared by impregnation of the support with an aqueous solution of copper nitrate, manganese nitrate and CrO3 under different conditions. Thermal, XRD and TPR analysis were performed. The catalytic measurements of single compounds oxidation were carried out on continuous flow equipment with a four-channel isothermal stainless steel reactor. Flow-line equipment with an adiabatic reactor for simultaneous oxidation of all compounds under the conditions that mimic closely the industrial ones was used. The reactant and product gases were analyzed by means of on-line gas chromatographs. On the basis of XRD analysis it can be concluded that the active component of the mixed Cu-Mn-Cr/γ–alumina catalysts consists of at least six compounds – CuO, Cr2O3, MnO2, Cu1.5Mn1.5O4, Cu1.5Cr1.5O4 and CuCr2O4, depending on the Cu/Mn/Cr molar ratio. Chemical composition strongly influences catalytic properties, this influence being quite variable with regards to the different processes. The rate of CO oxidation rapidly decrease with increasing of chromium content in the active component while for the DME was observed the reverse trend. It was concluded that the best compromise are the catalysts with Cu/(Mn + Cr) molar ratio 1:5 and Mn/Cr molar ratio from 1:3 to 1:4.

Keywords: Copper-manganese-chromium oxide catalysts, CO, deep oxidation, volatile organic compounds.

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147 Alumina Supported Copper-Manganese Catalysts for Combustion of Exhaust Gases: Effect of Preparation Method

Authors: Krasimir I. Ivanov, Elitsa N. Kolentsova, Dimitar Y. Dimitrov

Abstract:

The development of active and stable catalysts without noble metals for low temperature oxidation of exhaust gases remains a significant challenge. The purpose of this study is to determine the influence of the preparation method on the catalytic activity of the supported copper-manganese mixed oxides in terms of VOCs oxidation. The catalysts were prepared by impregnation of γ- Al2O3 with copper and manganese nitrates and acetates and the possibilities for CO, CH3OH and dimethyl ether (DME) oxidation were evaluated using continuous flow equipment with a four-channel isothermal stainless steel reactor. Effect of the support, Cu/Mn mole ratio, heat treatment of the precursor and active component loading were investigated. Highly active alumina supported Cu-Mn catalysts for CO and VOCs oxidation were synthesized. The effect of preparation conditions on the activity behavior of the catalysts was discussed. The synergetic interaction between copper and manganese species increases the activity for complete oxidation over mixed catalysts. Type of support, calcination temperature and active component loading along with catalyst composition are important factors, determining catalytic activity. Cu/Mn molar ratio of 1:5, heat treatment at 450oC and 20 % active component loading are the best compromise for production of active catalyst for simultaneous combustion of CO, CH3OH and DME.

Keywords: Copper-manganese catalysts, Preparation methods, Exhaust gases oxidation.

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146 Catalytic Decomposition of Potassium Monopersulfate. The Kinetics

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

Abstract:

Potassium monopersulfate has been decomposed in aqueous solution in the presence of Co(II). The process has been simulated by means of a mechanism based on elementary reactions. Rate constants have been taken from literature reports or, alternatively, assimilated to analogous reactions occurring in Fenton's chemistry. Several operating conditions have been successfully applied.

Keywords: Monopersulfate, Oxone®, Sulfate radicals, Water treatment

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145 Long-term Flexural Behavior of HSC Beams

Authors: Andreea Muntean, Cornelia Măgureanu

Abstract:

This article presents the analysis of experimental values regarding cracking pattern, specific strains and deformability for reinforced high strength concrete beams. The beams have the concrete class C80/95 and a longitudinal reinforcement ratio of 2.01%, respectively 3.39%. The elements were subjected to flexure under static short-term and long-term loading. The experimental values are compared with calculation values using the design relationships according to Eurocode 2.

Keywords: High strength concrete, beams, flexure.

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144 Combustion and Emissions Performance of Syngas Fuels Derived from Palm Kernel Shell and Polyethylene (PE) Waste via Catalytic Steam Gasification

Authors: Chaouki Ghenai

Abstract:

Computational fluid dynamics analysis of the burning of syngas fuels derived from biomass and plastic solid waste mixture through gasification process is presented in this paper. The syngas fuel is burned in gas turbine can combustor. Gas turbine can combustor with swirl is designed to burn the fuel efficiently and reduce the emissions. The main objective is to test the impact of the alternative syngas fuel compositions and lower heating value on the combustion performance and emissions. The syngas fuel is produced by blending palm kernel shell (PKS) with polyethylene (PE) waste via catalytic steam gasification (fluidized bed reactor). High hydrogen content syngas fuel was obtained by mixing 30% PE waste with PKS. The syngas composition obtained through the gasification process is 76.2% H2, 8.53% CO, 4.39% CO2 and 10.90% CH4. The lower heating value of the syngas fuel is LHV = 15.98 MJ/m3. Three fuels were tested in this study natural gas (100%CH4), syngas fuel and pure hydrogen (100% H2). The power from the combustor was kept constant for all the fuels tested in this study. The effect of syngas fuel composition and lower heating value on the flame shape, gas temperature, mass of carbon dioxide (CO2) and nitrogen oxides (NOX) per unit of energy generation is presented in this paper. The results show an increase of the peak flame temperature and NO mass fractions for the syngas and hydrogen fuels compared to natural gas fuel combustion. Lower average CO2 emissions at the exit of the combustor are obtained for the syngas compared to the natural gas fuel.

Keywords: CFD, Combustion, Emissions, Gas Turbine Combustor, Gasification, Solid Waste, Syngas and Waste to Energy.

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143 The Study of the Desulfurization Process of Oil and Oil Products of “Zhanazhol” Oil Field Using the Approaches of Green Chemistry

Authors: Zhaksyntay K. Kairbekov, Zhannur K. Myltykbaeva, Nazym T. Smagulova, Dariya K. Kanseitova

Abstract:

In this paper we studied sono catalytic oxidative desulfurization of oil and diesel fraction from “Zhanazhol” oil deposits. We have established that the combined effect of the ultrasonic field and oxidant (ozone-air mixture) in the presence of the catalyst on the oil is potentially very effective method of desulfurization of oil and oil products. This method allows increasing the degree of desulfurization of oil by 62%.

Keywords: Desulfurization, diesel, oil, oil products, sonication.

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142 Predicting Depth of Penetration in Abrasive Waterjet Cutting of Polycrystalline Ceramics

Authors: S. Srinivas, N. Ramesh Babu

Abstract:

This paper presents a model to predict the depth of penetration in polycrystalline ceramic material cut by abrasive waterjet. The proposed model considered the interaction of cylindrical jet with target material in upper region and neglected the role of threshold velocity in lower region. The results predicted with the proposed model are validated with the experimental results obtained with Silicon Carbide (SiC) blocks.

Keywords: Abrasive waterjet cutting, analytical modeling, ceramics, microcutting and intergranular cracking.

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141 Analysis of a Secondary Autothermal Reformer Using a Thermodynamic POX Model

Authors: Akbar Zamaniyan, Alireza Behroozsarand, Hadi Ebrahimi

Abstract:

Partial oxidation (POX) of light hydrocarbons (e.g. methane) is occurred in the first part of the autothermal reformer (ATR). The results of the detailed modeling of the reformer based on the thermodynamic model of the POX and 1D heterogeneous catalytic model for the fixed bed section are considered here. According to the results, the overall performance of the ATR can be improved by changing the important feed parameters.

Keywords: Autothermal Reformer, Partial Oxidation, Mathematical Modeling, Process Simulation, Syngas.

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140 HClO4-SiO2 Nanoparticles as an Efficient Catalyst for Three-Component Synthesis of Triazolo[1,2-a]Indazole- Triones

Authors: Hossein Anaraki-Ardakani, Tayebe Heidari-Rakati

Abstract:

An environmentally benign protocol for the one-pot, three-component synthesis of Triazolo[1,2-a]indazole-1,3,8-trione derivatives by condensation of dimedone, urazole and aromatic aldehydes catalyzed by HClO4/SiO2 NPS as an ecofriendly catalyst with high catalytic activity and reusability at 100ºC under solventfree conditions is reported. The reaction proceeds to completion within 20-30 min in 77-86% yield.

Keywords: One-pot reaction, Dimedone, Triazoloindazole, Urazole.

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139 Development of Fen4/C And Fen2/C Catalysts for Hydrodesulfurization and Hydrodearomitization of Model Compounds of Heavy Oil

Authors: Chaojie Song, Lianhui Ding, Craig Fairbridge, Hansan Liu, Rob Hui, Jiujun Zhang

Abstract:

Two novel hydrodesulfurization (HDS) catalysts: FeN4/C and FeN2/C, were prepared using an impregnation-pyrolysis method. The two materials were investigated as catalysts for hydrodesulfurization (HDS) and hydrodearomitization (HDA) of model compounds. The turnover frequency of the two FeN catalysts is comparable to (FeN4/C) or even higher (FeN2/C) than that of MoNi/Al2O3. The FeN4/C catalyst also exhibited catalytic activity toward HDA.

Keywords: catalyst, FeN2/C, FeN4/C, HDS, HDA

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138 Numerical Investigation on Damage Evolution of Piles inside Liquefied Soil Foundation - Dynamic-Loading Experiments -

Authors: Ahmed Mohammed Youssef Mohammed, Mohammad Reza Okhovat, Koichi Maekawa

Abstract:

The large and small-scale shaking table tests, which was conducted for investigating damage evolution of piles inside liquefied soil, are numerically simulated and experimental verified by the3D nonlinear finite element analysis. Damage evolution of elasto-plastic circular steel piles and reinforced concrete (RC) one with cracking and yield of reinforcement are focused on, and the failure patterns and residual damages are captured by the proposed constitutive models. The superstructure excitation behind quay wall is reproduced as well.

Keywords: Soil-Structure Interaction, Piles, Soil Liquefaction.

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137 Simultaneous Treatment and Catalytic Gasification of Olive Mill Wastewater under Supercritical Conditions

Authors: Ekin Kıpçak, Sinan Kutluay, Mesut Akgün

Abstract:

Recently, a growing interest has emerged on the development of new and efficient energy sources, due to the inevitable extinction of the nonrenewable energy reserves. One of these alternative sources which has a great potential and sustainability to meet up the energy demand is biomass energy. This significant energy source can be utilized with various energy conversion technologies, one of which is biomass gasification in supercritical water. Water, being the most important solvent in nature, has very important characteristics as a reaction solvent under supercritical circumstances. At temperatures above its critical point (374.8oC and 22.1 MPa), water becomes more acidic and its diffusivity increases. Working with water at high temperatures increases the thermal reaction rate, which in consequence leads to a better dissolving of the organic matters and a fast reaction with oxygen. Hence, supercritical water offers a control mechanism depending on solubility, excellent transport properties based on its high diffusion ability and new reaction possibilities for hydrolysis or oxidation. In this study the gasification of a real biomass, namely olive mill wastewater (OMW), in supercritical water is investigated with the use of Pt/Al2O3 and Ni/Al2O3 catalysts. OMW is a by-product obtained during olive oil production, which has a complex nature characterized by a high content of organic compounds and polyphenols. These properties impose OMW a significant pollution potential, but at the same time, the high content of organics makes OMW a desirable biomass candidate for energy production. All of the catalytic gasification experiments were made with five different reaction temperatures (400, 450, 500, 550 and 600°C), under a constant pressure of 25 MPa. For the experiments conducted with Ni/Al2O3 catalyst, the effect of five reaction times (30, 60, 90, 120 and 150 s) was investigated. However, procuring that similar gasification efficiencies could be obtained at shorter times, the experiments were made by using different reaction times (10, 15, 20, 25 and 30 s) for the case of Pt/Al2O3 catalyst. Through these experiments, the effects of temperature, time and catalyst type on the gasification yields and treatment efficiencies were investigated.

Keywords: Catalyst, Gasification, Olive mill wastewater, Supercritical water.

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136 Failure Analysis of a 304 Stainless Steel Flange Crack at Pipeline Transportation of Ethylene

Authors: Parisa Hasanpour, Bahram Borooghani, Vahid Asadi

Abstract:

In the current research, a catastrophic failure of a 304 stainless steel flange at pipeline transportation of ethylene in a petrochemical refinery was studied. Cracking was found in the flange after about 78840h service. Through the chemical analysis and tensile tests, in addition to microstructural analysis such as optical microscopy and Scanning Electron Microscopy (SEM) on the failed part, it found that the fatigue was responsible for the fracture of the flange, which originated from bumps and depressions on the outer surface and propagated by vibration caused by the working condition.

Keywords: Failure analysis, 304 stainless steel, fatigue, flange, petrochemical refinery.

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135 Catalytic Gasification of Olive Mill Wastewater as a Biomass Source under Supercritical Conditions

Authors: Ekin Kıpçak, Mesut Akgün

Abstract:

Recently, a growing interest has emerged on the development of new and efficient energy sources, due to the inevitable extinction of the nonrenewable energy reserves. One of these alternative sources which have a great potential and sustainability to meet up the energy demand is biomass energy. This significant energy source can be utilized with various energy conversion technologies, one of which is biomass gasification in supercritical water.

Water, being the most important solvent in nature, has very important characteristics as a reaction solvent under supercritical circumstances. At temperatures above its critical point (374.8oC and 22.1MPa), water becomes more acidic and its diffusivity increases. Working with water at high temperatures increases the thermal reaction rate, which in consequence leads to a better dissolving of the organic matters and a fast reaction with oxygen. Hence, supercritical water offers a control mechanism depending on solubility, excellent transport properties based on its high diffusion ability and new reaction possibilities for hydrolysis or oxidation.

In this study the gasification of a real biomass, namely olive mill wastewater (OMW), in supercritical water conditions is investigated with the use of Ru/Al2O3 catalyst. OMW is a by-product obtained during olive oil production, which has a complex nature characterized by a high content of organic compounds and polyphenols. These properties impose OMW a significant pollution potential, but at the same time, the high content of organics makes OMW a desirable biomass candidate for energy production.

The catalytic gasification experiments were made with five different reaction temperatures (400, 450, 500, 550 and 600°C) and five reaction times (30, 60, 90, 120 and 150s), under a constant pressure of 25MPa. Through these experiments, the effects of reaction temperature and time on the gasification yield, gaseous product composition and OMW treatment efficiency were investigated.

Keywords: Catalyst, Gasification, Olive mill wastewater, Ru/Al2O3, Supercritical water.

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134 The Microstructural and Mechanical Characterization of Organo-Clay-Modified Bitumen, Calcareous Aggregate, and Organo-Clay Blends

Authors: A. Gürses, T. B. Barın, Ç. Doğar

Abstract:

Bitumen has been widely used as the binder of aggregate in road pavement due to its good viscoelastic properties, as a viscous organic mixture with various chemical compositions. Bitumen is a liquid at high temperature and it becomes brittle at low temperatures, and this temperature-sensitivity can cause the rutting and cracking of the pavement and limit its application. Therefore, the properties of existing asphalt materials need to be enhanced. The pavement with polymer modified bitumen exhibits greater resistance to rutting and thermal cracking, decreased fatigue damage, as well as stripping and temperature susceptibility; however, they are expensive and their applications have disadvantages. Bituminous mixtures are composed of very irregular aggregates bound together with hydrocarbon-based asphalt, with a low volume fraction of voids dispersed within the matrix. Montmorillonite (MMT) is a layered silicate with low cost and abundance, which consists of layers of tetrahedral silicate and octahedral hydroxide sheets. Recently, the layered silicates have been widely used for the modification of polymers, as well as in many different fields. However, there are not too much studies related with the preparation of the modified asphalt with MMT, currently. In this study, organo-clay-modified bitumen, and calcareous aggregate and organo-clay blends were prepared by hot blending method with OMMT, which has been synthesized using a cationic surfactant (Cetyltrymethylammonium bromide, CTAB) and long chain hydrocarbon, and MMT. When the exchangeable cations in the interlayer region of pristine MMT were exchanged with hydrocarbon attached surfactant ions, the MMT becomes organophilic and more compatible with bitumen. The effects of the super hydrophobic OMMT onto the micro structural and mechanic properties (Marshall Stability and volumetric parameters) of the prepared blends were investigated. Stability and volumetric parameters of the blends prepared were measured using Marshall Test. Also, in order to investigate the morphological and micro structural properties of the organo-clay-modified bitumen and calcareous aggregate and organo-clay blends, their SEM and HRTEM images were taken. It was observed that the stability and volumetric parameters of the prepared mixtures improved significantly compared to the conventional hot mixes and even the stone matrix mixture. A micro structural analysis based on SEM images indicates that the organo-clay platelets dispersed in the bitumen have a dominant role in the increase of effectiveness of bitumen - aggregate interactions.

Keywords: Hot mix asphalt, stone matrix asphalt, organo clay, Marshall Test, calcareous aggregate, modified bitumen.

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133 An Adaptive Dynamic Fracture for 3D Fatigue Crack Growth Using X-FEM

Authors: S. Lecheb, A. Nour, A. Chellil, A. Basta, D. Belmiloud, H. Kebi

Abstract:

In recent years, a new numerical method has been developed, the extended finite element method (X-FEM). The objective of this work is to exploit the (X-FEM) for the treatment of the fracture mechanics problems on 3D geometries, where we showed the ability of this method to simulate the fatigue crack growth into two cases: edge and central crack. In the results we compared the six first natural frequencies of mode shapes uncracking with the cracking initiation in the structure, and showed the stress intensity factor (SIF) evolution function as crack size propagation into structure, the analytical validation of (SIF) is presented. For to evidence the aspects of this method, all result is compared between FEA and X-FEM.

Keywords: 3D fatigue crack growth, FEA, natural frequencies, stress intensity factor (SIF), X-FEM.

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132 Steady State Simulation and Experimental Study of an Ethane Recovery Unit in an Iranian Natural Gas Refinery

Authors: Arash Esmaeili, Omid Ghabouli

Abstract:

The production and consumption of natural gas is on the rise throughout the world as a result of its wide availability, ease of transportation, use and clean-burning characteristics. The chief use of ethane is in the chemical industry in the production of Ethene (ethylene) by steam cracking. In this simulation, obtained ethane recovery percent based on Gas sub-cooled process (GSP) is 99.9 by mole that is included 32.1% by using de-methanizer column and 67.8% by de-ethanizer tower. The outstanding feature of this process is the novel split-vapor concept that employs to generate reflux for de-methanizer column. Remain amount of ethane in export gas cause rise in gross heating value up to 36.66 MJ/Nm3 in order to use in industrial and household consumptions.

Keywords: Ethane recovery, Hydrocarbon dew point, Simulation, Water dew point

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131 Experimental Analysis of Tools Used for Doxing and Proposed New Transforms to Help Organizations Protect against Doxing Attacks

Authors: Parul Khanna, Pavol Zavarsky, Dale Lindskog

Abstract:

Doxing is a term derived from documents, and hence consists of collecting information on an organization or individual through social media websites, search engines, password cracking methods, social engineering tools and other sources of publicly displayed information. The main purpose of doxing attacks is to threaten, embarrass, harass and humiliate the organization or individual. Various tools are used to perform doxing. Tools such as Maltego visualize organization’s architecture which helps in determining weak links within the organization. This paper discusses limitations of Maltego Chlorine CE 3.6.0 and suggests measures as to how organizations can use these tools to protect themselves from doxing attacks.

Keywords: Advanced Persistent Threat, FOCA, OSINT, PII.

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130 Behavior Fatigue Life of Wind Turbine Rotor with Longitudinal Crack Growth

Authors: S. Lecheb, A. Nour, A. Chellil, H. Mechakra, N. Hamad, H. Kebir

Abstract:

This study concerned the dynamic behavior of the wind turbine rotor. Before all we have studied the loads applied to the rotor, which allows the knowledge their effect on the fatigue, also studied the rotor with longitudinal crack in order to determine stress, strain and displacement. Firstly we compared the first six modes shapes between cracking and uncracking of HAWT rotor. Secondly we show show evolution of first six natural frequencies with longitudinal crack propagation. Finally we conclude that the residual change in the natural frequencies can be used as in shaft crack diagnosis predictive maintenance.

Keywords: Wind turbine rotor, natural frequencies, longitudinal crack growth, life time.

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129 La promoted Ni/α-Al2O3 Catalysts for Syngas Methanation

Authors: Anmin Zhao, Weiyong Yingı , Haitao Zhang, Hongfang Ma, Dingye Fang

Abstract:

The Ni/α-Al2O3 catalysts with different amounts of La as promoter from 0 to 4 wt % were prepared, characterized and their catalytic activity was investigated in syngas methanation reaction. Effects of reaction temperature and lanthanum loading on carbon oxides conversion and methane selectivity were also studied. Adding certain amount of lanthanum to 10Ni /α-Al2O3 catalysts can decrease the average NiO crystallite diameter which leads to higher activity and stability while excessive addition would cause deactivation quickly. Stability on stream towards deactivation was observed up to 800 min at 500 °C, 0.1MPa and 600000 mL·g-1·h-1.

Keywords: Methanation; Nickel catalysts; Syngas methanation

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128 Recent Advances on Computational Proteomics

Authors: Sérgio F. Sousa, Nuno M. F. S. A. Cerqueira, Marta A. S. Perez, Irina S. Moreira, António J. M.Ribeiro, Ana R. A. P. Neves, Maria J. Ramos, Pedro A. Fernandes

Abstract:

In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.

Keywords: Enzyme, Molecular Dynamics, Protein, Quantum Mechanics.

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127 Oxidation of Carbon Monoxide in a Monolithic Reactor

Authors: S. Chauhan, T.P.K. Grewal, S.K. Aggarwal, V.K. Srivastava

Abstract:

Solution for the complete removal of carbon monoxide from the exhaust gases still poses a challenge to the researchers and this problem is still under development. Modeling for reduction of carbon monoxide is carried out using heterogeneous reaction using low cost non-noble metal based catalysts for the purpose of controlling emissions released to the atmosphere. A simple one-dimensional model was developed for the monolith using hopcalite catalyst. The converter is assumed to be an adiabatic monolith operating under warm-up conditions. The effect of inlet gas temperatures and catalyst loading on carbon monoxide reduction during cold start period in the converter is analysed.

Keywords: carbon monoxide, catalytic, modeling, monolith

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126 The Overload Behaviour of Reinforced Concrete Flexural Members

Authors: Angelo Thurairajah

Abstract:

Sufficient ultimate deformation is necessary to demonstrate the member ductility, which is dependent on the section and the material ductility. The concrete cracking phase of softening prior to the plastic hinge formation is an essential feature as well. The nature of the overload behaviour is studied using the order of the ultimate deflection. The ultimate deflection is primarily dependent on the slenderness (span to depth ratio), the ductility of the reinforcing steel, the degree of moment redistribution, the type of loading, and the support conditions. The ultimate deflection and the degree of moment redistribution from the analytical study are in good agreement with the experimental results and the moment redistribution provisions of the Australian Standards AS3600 Concrete Structures Code.

Keywords: Ductility, softening, ultimate deflection, overload behaviour, moment redistribution.

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125 Facile Synthesis of Vertically Aligned ZnO Nanowires on Carbon Layer by Vapour Deposition

Authors: Kh. A. Abdullin, N. B. Bakranov, S. E. Kudaibergenov, S.E. Kumekov, V. N. Ermolaev, L. V. Podrezova

Abstract:

A facile vapour deposition method of synthesis of vertically aligned ZnO nanowires on carbon seed layer was developed. The received samples were investigated on electronic microscope JSM-6490 LA JEOL and x-ray diffractometer X, pert MPD PRO. The photoluminescence spectra (PL) of obtained ZnO samples at a room temperature were studied using He-Cd laser (325 nm line) as excitation source.

Keywords: ZnO nanowires, vapor-phase deposition, Nicatalytic layer, facile method of synthesis, carbon catalytic layer, thephotoluminescence spectra, X-ray spectrum.

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124 Mechanical Characteristics on Fatigue Crack Propagation in Aluminium Plate

Authors: A. Chellil, A. Nour, S. Lecheb, H. Mechakra, L. Addar, H. Kebir

Abstract:

This paper present a mechanical characteristics on fatigue crack propagation in Aluminium Plate based on strain and stress distribution using the abaqus software. The changes in shear strain and stress distribution during the fatigue cycle with crack growth is identified. In progressive crack in the strain distribution and the stress is increase in the critical zone. Numerical Modal analysis of the model developed, prove that the Eigen frequencies of aluminium plate were decreased after cracking, and this reduce is nonlinear. These results can provide a reference for analysts and designers of aluminium alloys in aeronautical systems.

Therefore, the modal analysis is an important factor for monitoring the aeronautic structures.

Keywords: Aluminium alloys, plate, crack, failure.

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123 Effect of Catalyst Preparation on the Performance of CaO-ZnO Catalysts for Transesterification

Authors: Pathravut Klinklom, Apanee Luengnaruemitchai, Samai Jai-In

Abstract:

In this research, CaO-ZnO catalysts (with various Ca:Zn atomic ratios of 1:5, 1:3, 1:1, and 3:1) prepared by incipientwetness impregnation (IWI) and co-precipitation (CP) methods were used as a catalyst in the transesterification of palm oil with methanol for biodiesel production. The catalysts were characterized by several techniques, including BET method, CO2-TPD, and Hemmett Indicator. The effects of precursor concentration, and calcination temperature on the catalytic performance were studied under reaction conditions of a 15:1 methanol to oil molar ratio, 6 wt% catalyst, reaction temperature of 60°C, and reaction time of 8 h. At Ca:Zn atomic ratio of 1:3 gave the highest FAME value owing to a basic properties and surface area of the prepared catalyst.

Keywords: CaO, ZnO, Biodiesel, Impregnation, Coprecipitation.

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122 Theoretical and Experimental Bending Properties of Composite Pipes

Authors: M. Stefanovska, S. Risteska, B. Samakoski, G. Maneski, B. Kostadinoska

Abstract:

Aim of this work is to determine the theoretical and experimental properties of filament wound glass fiber/epoxy resin composite pipes with different winding design subjected under bending. For determination of bending strength of composite samples three point bending tests were conducted. Good correlation between theoretical and experimental results has been obtained, where sample No4 has shown the highest value of bending strength. All samples have demonstrated matrix cracking and fiber failure followed by layers delamination during testing. Also, it was found that smaller winding angles lead to an increase in bending stress. From presented results good merger between glass fibers and epoxy resin was confirmed by SEM analysis.

Keywords: Bending properties, composite pipe, winding design.

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121 Seismic Analysis of URM Buildings in S. Africa

Authors: Trevor N. Haas, Thomas van der Kolf

Abstract:

South Africa has some regions which are susceptible to moderate seismic activity. A peak ground acceleration of between 0.1g and 0.15g can be expected in the southern parts of the Western Cape. Unreinforced Masonry (URM) is commonly used as a construction material for 2 to 5 storey buildings in underprivileged areas in and around Cape Town. URM is typically regarded as the material most vulnerable to damage when subjected to earthquake excitation. In this study, a three-storey URM building was analysed by applying seven earthquake time-histories, which can be expected to occur in South Africa using a finite element approach. Experimental data was used to calibrate the in- and out-of-plane stiffness of the URM. The results indicated that tensile cracking of the in-plane piers was the dominant failure mode. It is concluded that URM buildings of this type are at risk of failure especially if sufficient ductility is not provided. The results also showed that connection failure must be investigated further.

Keywords: URM, Seismic Analysis, FEM.

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