Search results for: chemical reaction optimization
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9298

Search results for: chemical reaction optimization

9058 The Analysis of a Reactive Hydromagnetic Internal Heat Generating Poiseuille Fluid Flow through a Channel

Authors: Anthony R. Hassan, Jacob A. Gbadeyan

Abstract:

In this paper, the analysis of a reactive hydromagnetic Poiseuille fluid flow under each of sensitized, Arrhenius and bimolecular chemical kinetics through a channel in the presence of heat source is carried out. An exothermic reaction is assumed while the concentration of the material is neglected. Adomian Decomposition Method (ADM) together with Pade Approximation is used to obtain the solutions of the governing nonlinear non – dimensional differential equations. Effects of various physical parameters on the velocity and temperature fields of the fluid flow are investigated. The entropy generation analysis and the conditions for thermal criticality are also presented.

Keywords: chemical kinetics, entropy generation, thermal criticality, adomian decomposition method (ADM) and pade approximation

Procedia PDF Downloads 458
9057 Review on Optimization of Drinking Water Treatment Process

Authors: M. Farhaoui, M. Derraz

Abstract:

In the drinking water treatment processes, the optimization of the treatment is an issue of particular concern. In general, the process consists of many units as settling, coagulation, flocculation, sedimentation, filtration and disinfection. The optimization of the process consists of some measures to decrease the managing and monitoring expenses and improve the quality of the produced water. The objective of this study is to provide water treatment operators with methods and practices that enable to attain the most effective use of the facility and, in consequence, optimize the of the cubic meter price of the treated water. This paper proposes a review on optimization of drinking water treatment process by analyzing all of the water treatment units and gives some solutions in order to maximize the water treatment performances without compromising the water quality standards. Some solutions and methods are performed in the water treatment plant located in the middle of Morocco (Meknes).

Keywords: coagulation process, optimization, turbidity removal, water treatment

Procedia PDF Downloads 414
9056 Engineering Optimization Using Two-Stage Differential Evolution

Authors: K. Y. Tseng, C. Y. Wu

Abstract:

This paper employs a heuristic algorithm to solve engineering problems including truss structure optimization and optimal chiller loading (OCL) problems. Two different type algorithms, real-valued differential evolution (DE) and modified binary differential evolution (MBDE), are successfully integrated and then can obtain better performance in solving engineering problems. In order to demonstrate the performance of the proposed algorithm, this study adopts each one testing case of truss structure optimization and OCL problems to compare the results of other heuristic optimization methods. The result indicates that the proposed algorithm can obtain similar or better solution in comparing with previous studies.

Keywords: differential evolution, Truss structure optimization, optimal chiller loading, modified binary differential evolution

Procedia PDF Downloads 162
9055 Chemical Kinetics and Computational Fluid-Dynamics Analysis of H2/CO/CO2/CH4 Syngas Combustion and NOx Formation in a Micro-Pilot-Ignited Supercharged Dual Fuel Engine

Authors: Ulugbek Azimov, Nearchos Stylianidis, Nobuyuki Kawahara, Eiji Tomita

Abstract:

A chemical kinetics and computational fluid-dynamics (CFD) analysis was performed to evaluate the combustion of syngas derived from biomass and coke-oven solid feedstock in a micro-pilot ignited supercharged dual-fuel engine under lean conditions. For this analysis, a new reduced syngas chemical kinetics mechanism was constructed and validated by comparing the ignition delay and laminar flame speed data with those obtained from experiments and other detail chemical kinetics mechanisms available in the literature. The reaction sensitivity analysis was conducted for ignition delay at elevated pressures in order to identify important chemical reactions that govern the combustion process. The chemical kinetics of NOx formation was analyzed for H2/CO/CO2/CH4 syngas mixtures by using counter flow burner and premixed laminar flame speed reactor models. The new mechanism showed a very good agreement with experimental measurements and accurately reproduced the effect of pressure, temperature and equivalence ratio on NOx formation. In order to identify the species important for NOx formation, a sensitivity analysis was conducted for pressures 4 bar, 10 bar and 16 bar and preheat temperature 300 K. The results show that the NOx formation is driven mostly by hydrogen based species while other species, such as N2, CO2 and CH4, have also important effects on combustion. Finally, the new mechanism was used in a multidimensional CFD simulation to predict the combustion of syngas in a micro-pilot-ignited supercharged dual-fuel engine and results were compared with experiments. The mechanism showed the closest prediction of the in-cylinder pressure and the rate of heat release (ROHR).

Keywords: syngas, chemical kinetics mechanism, internal combustion engine, NOx formation

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9054 Atomic Layer Deposition of MoO₃ on Mesoporous γ-Al₂O₃ Prepared by Sol-Gel Method as Efficient Catalyst for Oxidative Desulfurization of Refractory Dibenzothiophene Compound

Authors: S. Said, Asmaa A. Abdulrahman

Abstract:

MoOₓ/Al₂O₃ based catalyst has long been widely used as an active catalyst in oxidative desulfurization reaction due to its high stability under severe reaction conditions and high resistance to sulfur poisoning. In this context, 4 & 9wt.% MoO₃ grafted on mesoporous γ-Al₂O₃ has been synthesized using the modified atomic layer deposition (ALD) method. Another MoO₃/Al₂O₃ sample was prepared by the conventional wetness impregnation (IM) method, for comparison. The effect of the preparation methods on the metal-support interaction was evaluated using different characterization techniques, including X-ray diffraction, X-ray photoelectron spectroscopy (XPS), N₂-physisorption, transmission electron microscopy (TEM), H₂- temperature-programmed reduction and FT-IR. Oxidative desulfurization (ODS) reaction of the model fuel oil was used as a probe reaction to examine the catalytic efficiency of the prepared catalysts. ALD method led to samples with much better physicochemical properties than those of the prepared one via the impregnation method. However, the 9 wt.%MoO₃/Al₂O₃ (ALD) catalyst in the ODS reaction of model fuel oil shows enhanced catalytic performance with ~90%, which has been attributed to the more Mo⁶⁺ surface concentrations relative to Al³⁺ with large pore diameter and surface area. The kinetic study shows that the ODS of DBT follows a pseudo first-order rate reaction.

Keywords: mesoporous Al₂O₃, xMoO₃/Al₂O₃, atomic layer deposition, wetness impregnation, ODS, DBT

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9053 Performance Analysis of MATLAB Solvers in the Case of a Quadratic Programming Generation Scheduling Optimization Problem

Authors: Dávid Csercsik, Péter Kádár

Abstract:

In the case of the proposed method, the problem is parallelized by considering multiple possible mode of operation profiles, which determine the range in which the generators operate in each period. For each of these profiles, the optimization is carried out independently, and the best resulting dispatch is chosen. For each such profile, the resulting problem is a quadratic programming (QP) problem with a potentially negative definite Q quadratic term, and constraints depending on the actual operation profile. In this paper we analyze the performance of available MATLAB optimization methods and solvers for the corresponding QP.

Keywords: optimization, MATLAB, quadratic programming, economic dispatch

Procedia PDF Downloads 543
9052 A Unified Model for Orotidine Monophosphate Synthesis: Target for Inhibition of Growth of Mycobacterium tuberculosis

Authors: N. Naga Subrahmanyeswara Rao, Parag Arvind Deshpande

Abstract:

Understanding nucleotide synthesis reaction of any organism is beneficial to know the growth of it as in Mycobacterium tuberculosis to design anti TB drug. One of the reactions of de novo pathway which takes place in all organisms was considered. The reaction takes places between phosphoribosyl pyrophosphate and orotate catalyzed by orotate phosphoribosyl transferase and divalent metal ion gives orotdine monophosphate, a nucleotide. All the reaction steps of three experimentally proposed mechanisms for this reaction were considered to develop kinetic rate expression. The model was validated using the data for four organisms. This model could successfully describe the kinetics for the reported data. The developed model can serve as a reliable model to describe the kinetics in new organisms without the need of mechanistic determination. So an organism-independent model was developed.

Keywords: mechanism, nucleotide, organism, tuberculosis

Procedia PDF Downloads 328
9051 Multiobjective Economic Dispatch Using Optimal Weighting Method

Authors: Mandeep Kaur, Fatehgarh Sahib

Abstract:

The purpose of economic load dispatch is to allocate the required load demand between the available generation units such that the cost of operation is minimized. It is an optimization problem to find the most economical schedule of the generating units while satisfying load demand and operational constraints. The multiobjective optimization problem in which the engineer’s goal is to maximize or minimize not a single objective function but several objective functions simultaneously. The purpose of multiobjective problems in the mathematical programming framework is to optimize the different objective functions. Many approaches and methods have been proposed in recent years to solve multiobjective optimization problems. Weighting method has been applied to convert multiobjective optimization problems into scalar optimization. MATLAB 7.10 has been used to write the code for the complete algorithm with the help of genetic algorithm (GA). The validity of the proposed method has been demonstrated on a three-unit power system.

Keywords: economic load dispatch, genetic algorithm, generating units, multiobjective optimization, weighting method

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9050 Effect of Joule Heating on Chemically Reacting Micropolar Fluid Flow over Truncated Cone with Convective Boundary Condition Using Spectral Quasilinearization Method

Authors: Pradeepa Teegala, Ramreddy Chetteti

Abstract:

This work emphasizes the effects of heat generation/absorption and Joule heating on chemically reacting micropolar fluid flow over a truncated cone with convective boundary condition. For this complex fluid flow problem, the similarity solution does not exist and hence using non-similarity transformations, the governing fluid flow equations along with related boundary conditions are transformed into a set of non-dimensional partial differential equations. Several authors have applied the spectral quasi-linearization method to solve the ordinary differential equations, but here the resulting nonlinear partial differential equations are solved for non-similarity solution by using a recently developed method called the spectral quasi-linearization method (SQLM). Comparison with previously published work on special cases of the problem is performed and found to be in excellent agreement. The influence of pertinent parameters namely Biot number, Joule heating, heat generation/absorption, chemical reaction, micropolar and magnetic field on physical quantities of the flow are displayed through graphs and the salient features are explored in detail. Further, the results are analyzed by comparing with two special cases, namely, vertical plate and full cone wherever possible.

Keywords: chemical reaction, convective boundary condition, joule heating, micropolar fluid, spectral quasilinearization method

Procedia PDF Downloads 343
9049 Test Bench Development and Functional Analysis of a Reaction Wheel for an Attitude Determination and Control System Prototype

Authors: Pablo Raul Yanyachi, Alfredo Mamani Saico, Jorch Mendoza, Wang Xinsheng

Abstract:

The Attitude Determination and Control System (ADCS) plays a pivotal role in the operation of nanosatellites such as Cubesats, managing orientation and stability during space missions. Within the ADCS, Reaction Wheels (RW) are electromechanical devices responsible for adjusting and maintaining satellite orientation through the application of kinetic moments. This study focuses on the characterization and analysis of a specific Reaction Wheel integrated into an ADCS prototype developed at the National University of San Agust´ın, Arequipa (UNSA). To achieve this, a single-axis Test Bench was constructed, where the reaction wheel consists of a brushless motor and an inertia flywheel driven by an Electronic Speed Controller (ESC). The research encompasses RW characterization, energy consumption evaluation, dynamic modeling, and control. The results have allowed us to ensure the maneuverability of ADCS prototypes while maintaining energy consumption within acceptable limits. The characterization and linearity analysis provides valuable insights for sizing and optimizing future reaction wheel prototypes for nanosatellites. This contributes to the ongoing development of aerospace technology within the scientific community at UNSA.

Keywords: test bench, nanosatellite, control, reaction wheel

Procedia PDF Downloads 87
9048 Demand Forecasting Using Artificial Neural Networks Optimized by Particle Swarm Optimization

Authors: Daham Owaid Matrood, Naqaa Hussein Raheem

Abstract:

Evolutionary algorithms and Artificial neural networks (ANN) are two relatively young research areas that were subject to a steadily growing interest during the past years. This paper examines the use of Particle Swarm Optimization (PSO) to train a multi-layer feed forward neural network for demand forecasting. We use in this paper weekly demand data for packed cement and towels, which have been outfitted by the Northern General Company for Cement and General Company of prepared clothes respectively. The results showed superiority of trained neural networks using particle swarm optimization on neural networks trained using error back propagation because their ability to escape from local optima.

Keywords: artificial neural network, demand forecasting, particle swarm optimization, weight optimization

Procedia PDF Downloads 445
9047 Electrochemical Behavior of Iron (III) Complexes with Catechol at Different pH

Authors: K. M. Salim Reza, M. Hafiz Mia, M. A. Aziz, M. A. Motin, M. M. Rahman, M. A. Hasem

Abstract:

The redox behavior of Fe (III) in presence of Catechol (Cc) has been carried out in buffer solution of different pH, scan rate, variation of Fe (III) concentration and Cc concentration. Uncoordinated Fe(III) or Cc has been found to undergo reversible electrode reaction whereas coordinated Fe-Cc is irreversible. The peak positions of the voltammogram of Fe- Cc shifted with respect to that of free Fe (III) or Cc and also developed a new peak at 0.12 V. The peak current of Fe-Cc decreases significantly compared with that of free Fe(III) or Cc in the same experimental conditions. These behaviors ascribed the formation of complex of Fe with Cc. The complex was formed either by the addition of Cc into Fe(III) or by the addition of Fe(III) into Cc. The effect of pH of Fe-Cc complex was studied by varying pH from 2 to 8.5. The electro chemical oxidation of Fe-Cc is facilitated in lower pH media. The slope of the plots of anodic peak current, Ep against pH of Fe-Cc complexe is 30 mV, indicates that the oxidation of Fe-Cc complexes proceeded via the 2e−/2H+ processes. The proportionality of the anodic and cathodic peak currents with square root of scan rate of suggests that the peak current of the different complexes at each redox reaction is controlled by diffusion process.

Keywords: cyclic voltammetry, Fe-Cc Complex, pH effect, redox interaction

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9046 Effects of Hydrogen Bonding and Vinylcarbazole Derivatives on 3-Cyanovinylcarbazole Mediated Photo-Cross-Linking Induced Cytosine Deamination

Authors: Siddhant Sethi, Yasuharu Takashima, Shigetaka Nakamura, Kenzo Fujimoto

Abstract:

Site-directed mutagenesis is a renowned technique to introduce specific mutations in the genome. To achieve site-directed mutagenesis, many chemical and enzymatic approaches have been reported in the past like disulphite induced genome editing, CRISPR-Cas9, TALEN etc. The chemical methods are invasive whereas the enzymatic approaches are time-consuming and expensive. Most of these techniques are unusable in the cellular application due to their toxicity and other limitations. Photo-chemical cytosine deamination, introduced in 2010, is one of the major technique for enzyme-free single-point mutation of cytosine to uracil in DNA and RNA, wherein, 3-cyanovinylcarbazole nucleoside (CNVK) containing oligodeoxyribonucleotide (ODN) having CNVK at -1 position to that of target cytosine is reversibly crosslinked to target DNA strand using 366 nm and then incubated at 90ºC to accommodate deamination. This technique is superior to enzymatic methods of site-directed mutagenesis but has a disadvantage that it requires the use of high temperature for the deamination step which restricts its applicability in the in vivo applications. This study has been focused on improving the technique by reducing the temperature required for deamination. Firstly, the photo-cross-linker, CNVK has been modified by replacing cyano group attached to vinyl group with methyl ester (OMeVK), amide (NH2VK), and carboxylic acid (OHVK) to observe the acceleration in the deamination of target cytosine cross-linked to vinylcarbazole derivative. Among the derivatives, OHVK has shown 2 times acceleration in deamination reaction as compared to CNVK, while the other two derivatives have shown deceleration towards deamination reaction. The trend of rate of deamination reaction follows the same order as that of hydrophilicity of the vinylcarbazole derivatives. OHVK being most hydrophilic has shown highest acceleration while OMeVK is least hydrophilic has proven to be least active for deamination. Secondly, in the related study, the counter-base of the target cytosine, guanine has been replaced by inosine, 2-aminopurine, nebularine, and 5-nitroindole having distinct hydrogen bonding patterns with target cytosine. Among the ODNs with these counter bases, ODN with inosine has shown 12 fold acceleration towards deamination of cytosine cross-linked to CNVK at physiological conditions as compared to guanosine. Whereas, when 2-aminopurine, nebularine, and 5-nitroindole were used, no deamination reaction took place. It can be concluded that inosine has potential to be used as the counter base of target cytosine for the CNVK mediated photo-cross-linking induced deamination of cytosine. The increase in rate of deamination reaction has been attributed to pattern and number of hydrogen bonding between the cytosine and counter base. One of the important factor is presence of hydrogen bond between exo-cyclic amino group of cytosine and the counter base. These results will be useful for development of more efficient technique for site-directed mutagenesis for C → U transformations in the DNA/RNA which might be used in the living system for treatment of various genetic disorders and genome engineering for making designer and non-native proteins.

Keywords: C to U transformation, DNA editing, genome engineering, ultra-fast photo-cross-linking

Procedia PDF Downloads 230
9045 Flow-Through Supercritical Installation for Producing Biodiesel Fuel

Authors: Y. A. Shapovalov, F. M. Gumerov, M. K. Nauryzbaev, S. V. Mazanov, R. A. Usmanov, A. V. Klinov, L. K. Safiullina, S. A. Soshin

Abstract:

A flow-through installation was created and manufactured for the transesterification of triglycerides of fatty acids and production of biodiesel fuel under supercritical fluid conditions. Transesterification of rapeseed oil with ethanol was carried out according to two parameters: temperature and the ratio of alcohol/oil mixture at the constant pressure of 19 MPa. The kinetics of the yield of fatty acids ethyl esters (FAEE) was determined in the temperature range of 320-380 °C at the alcohol/oil molar ratio of 6:1-20:1. The content of the formed FAEE was determined by the method of correlation of the resulting biodiesel fuel by its kinematic viscosity. The maximum FAEE yield (about 90%) was obtained within 30 min at the ethanol/oil molar ratio of 12:1 and a temperature of 380 °C. When studying of transesterification of triglycerides, a kinetic model of an isothermal flow reactor was used. The reaction order implemented in the flow reactor has been determined. The first order of the reaction was confirmed by data on the conversion of FAEE during the reaction at different temperatures and the molar ratios of the initial reagents (ethanol/oil). Using the Arrhenius equation, the values of the effective constants of the transesterification reaction rate were calculated at different reaction temperatures. In addition, based on the experimental data, the activation energy and the pre-exponential factor of the transesterification reaction were determined.

Keywords: biodiesel, fatty acid esters, supercritical fluid technology, transesterification

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9044 The Formulation of Inference Fuzzy System as a Valuation Subsidiary Based Particle Swarm Optimization for Solves the Issue of Decision Making in Middle Size Soccer Robot League

Authors: Zahra Abdolkarimi, Naser Zouri

Abstract:

The actual purpose of RoboCup is creating independent team of robots in 2050 based of FiFa roles to bring the victory in compare of world star team. There is unbelievable growing of Robots created a collection of complex and motivate subject in robotic and intellectual ornate, also it made a mechatronics style base of theoretical and technical way in Robocop. Decision making of robots depends to environment reaction, self-player and rival player with using inductive Fuzzy system valuation subsidiary to solve issue of robots in land game. The measure of selection in compare with other methods depends to amount of victories percentage in the same team that plays accidentally.

Keywords: particle swarm optimization, chaos theory, inference fuzzy system, simulation environment rational fuzzy system, mamdani and assilian, deffuzify

Procedia PDF Downloads 378
9043 Improvement of Reaction Technology of Decalin Halogenation

Authors: Dmitriy Yu. Korulkin, Ravshan M. Nuraliev, Raissa A. Muzychkina

Abstract:

In this research paper, we investigated the main regularities of a radical bromination reaction of decalin. We studied the temperature effect, durations of reaction, frequency rate of process, ratio of initial components, type and number of the initiator on decalin bromination degree. We found specified optimum conditions of synthesis of a perbromodecalin by the method of a decalin bromination. We developed the technological flowchart of receiving a perbromodecalin and the mass balance of process on the first and the subsequent loadings of components. The results of the research of antibacterial and antifungal activity of synthesized bromoderivatives have been represented.

Keywords: decalin, optimum technology, perbromodecalin, radical bromination

Procedia PDF Downloads 222
9042 Thermal Method for Testing Small Chemisorbent Samples on the Base of Potassium Superoxide

Authors: Pavel V. Balabanov, Daria A. Liubimova, Aleksandr P. Savenkov

Abstract:

The increase of technogenic and natural accidents, accompanied by air pollution, for example, by combustion products, leads to the necessity of respiratory protection. This work is devoted to the development of a calorimetric method and a device which allow investigating quickly the kinetics of carbon dioxide sorption by chemo-sorbents on the base of potassium superoxide in order to assess the protective properties of respiratory protective closed-circuit apparatus. The features of the traditional approach for determining the sorption properties in a thin layer of chemo-sorbent are described, as well as methods and devices, which can be used for the sorption kinetics study. The authors of the paper developed an approach (as opposed to the traditional approach) based on the power measurement of internal heat sources in the chemo-sorbent layer. The emergence of the heat sources is a result of the exothermic reaction of carbon dioxide sorption. This approach eliminates the necessity of chemical analysis of samples and can significantly reduce the time and material expenses during chemo-sorbents testing. The error of determining the volume fraction of adsorbed carbon dioxide by the developed method does not exceed 12%. Taking into account the efficiency of the method, we consider that it is a good alternative to traditional methods of chemical analysis under the assessment of the protection sorbents quality.

Keywords: carbon dioxide chemisorption, exothermic reaction, internal heat sources, respiratory protective apparatus

Procedia PDF Downloads 403
9041 Bioactive Chemical Markers Based Strategy for Quality Control of Herbal Medicines

Authors: Zhenzhong Yang

Abstract:

Herbal medicines are important supplements to chemical drugs and usually consist of a complex mixture of constituents. The current quality control strategy of herbal medicines is mainly based on chemical markers, which largely failed to owe to the markers, not reflecting the herbal medicines’ multiple mechanisms of action. Herein, a bioactive chemical markers based strategy was proposed and applied to the quality assessment and control of herbal medicines. This strategy mainly includes the comprehensive chemical characterization of herbal medicines, bioactive chemical markers identification, and related quantitative analysis methods development. As a proof-of-concept, this strategy was applied to a Panax notoginseng derived herbal medicine. The bioactive chemical markers based strategy offers a rational approach for quality assessment and control of herbal medicines.

Keywords: bioactive chemical markers, herbal medicines, quality assessment, quality control

Procedia PDF Downloads 173
9040 Optimization of Passive Vibration Damping of Space Structures

Authors: Emad Askar, Eldesoky Elsoaly, Mohamed Kamel, Hisham Kamel

Abstract:

The objective of this article is to improve the passive vibration damping of solar array (SA) used in space structures, by the effective application of numerical optimization. A case study of a SA is used for demonstration. A finite element (FE) model was created and verified by experimental testing. Optimization was then conducted by implementing the FE model with the genetic algorithm, to find the optimal placement of aluminum circular patches, to suppress the first two bending mode shapes. The results were verified using experimental testing. Finally, a parametric study was conducted using the FE model where patch locations, material type, and shape were varied one at a time, and the results were compared with the optimal ones. The results clearly show that through the proper application of FE modeling and numerical optimization, passive vibration damping of space structures has been successfully achieved.

Keywords: damping optimization, genetic algorithm optimization, passive vibration damping, solar array vibration damping

Procedia PDF Downloads 444
9039 Performance Comparison of Prim’s and Ant Colony Optimization Algorithm to Select Shortest Path in Case of Link Failure

Authors: Rimmy Yadav, Avtar Singh

Abstract:

—Ant Colony Optimization (ACO) is a promising modern approach to the unused combinatorial optimization. Here ACO is applied to finding the shortest during communication link failure. In this paper, the performances of the prim’s and ACO algorithm are made. By comparing the time complexity and program execution time as set of parameters, we demonstrate the pleasant performance of ACO in finding excellent solution to finding shortest path during communication link failure.

Keywords: ant colony optimization, link failure, prim’s algorithm, shortest path

Procedia PDF Downloads 392
9038 Liquid Phase Catalytic Dehydrogenation of Secondary Alcohols to Ketone

Authors: Anıl Dinçer, Dilek Duranoğlu

Abstract:

Ketones, which are widely used as solvent and chemical intermediates in chemical process industry, are commercially produced by using catalytic dehydrogenation of secondary alcohols at higher temperature (300-500ºC), and pressure (1-5 bar). Although it is possible to obtain high conversion values (60-87%) via gas phase catalytic dehydrogenation, working high temperature and pressure can result in side reactions and shorten the catalyst life. In order to overcome these challenges, catalytic dehydrogenation in the presence of an appropriate liquid solvent has been started to use. Hence, secondary alcohols can be converted to respective ketones at relatively low temperature (150-200ºC) under atmospheric pressure. In this study, methyl ethyl ketone and acetone was produced via catalytic dehydrogenation of appropriate secondary alcohols (isopropyl alcohol and sec-butyl alcohol) in the presence of liquid solvent at 160-190ºC. Obtained methyl ethyl ketone and acetone were analyzed by using FTIR and GC spectrometer. Effects of temperature, amount of catalyst and solvent on conversion and reaction rate were investigated. Optimum process conditions, which gave high conversion and reaction rate, were determined. According to GC results, 70% of secondary butyl alcohol and 42% of isopropyl alcohol was converted to related ketone (methyl ethyl ketone and acetone, respectively) at optimum process conditions. After distillation, 99.13% methyl ethyl ketone and 99.20% acetone was obtained. Consequently, liquid phase dehydrogenation process, which can compete with commercial gas phase process, was developed.

Keywords: dehydrogenation, liquid phase, methyl ethyl ketone, secondary alcohol

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9037 Theoretical Insight into Ligand Free Manganese Catalyzed C-O Coupling Protocol for the Synthesis of Biaryl Ethers

Authors: Carolin Anna Joy, Rohith K. R, Rehin Sulay, Parvathy Santhoshkumar, G.Anil Kumar, Vibin Ipe Thomas

Abstract:

Ullmann coupling reactions are gaining great relevance owing to their contribution in the synthesis of biologically and pharmaceutically important compounds. Palladium and many other heavy metals have proven their excellent ability in coupling reaction, but the toxicity matters. The first-row transition metal also possess toxicity, except in the case of iron and manganese. The suitability of manganese as a catalyst is achieving great interest in oxidation, reduction, C-H activation, coupling reaction etc. In this presentation, we discuss the thermo chemistry of ligand free manganese catalyzed C-O coupling reaction between phenol and aryl halide for the synthesis of biaryl ethers using Density functional theory techniques. The mechanism involves an oxidative addition-reductive elimination step. The transition state for both the step had been studied and confirmed using Intrinsic Reaction Coordinate (IRC) calculation. The barrier height for the reaction had also been calculated from the rate determining step. The possibility of other mechanistic way had also been studied. To achieve further insight into the mechanism, substrate having various functional groups is considered in our study to direct their effect on the feasibility of the reaction.

Keywords: Density functional theory, Molecular Modeling, ligand free, biaryl ethers, Ullmann coupling

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9036 Bi-Functional Natural Carboxylic Acid Catalysts for the Synthesis of Diethyl α-Aminophosphonates in Aqueous Media

Authors: Hellal Abdelkader, Chafaa Salah, Boudjemaa Fouzia

Abstract:

A new, convenient, and high yielding procedure for the preparation of diethyl α-aminophosphonates in water via Kabachnik-Fields reaction by one-pot reaction of aromatic aldehydes, ortho-aminophenols, and dialkylphosphites in the presence of a low catalytic amount of citric, malic, tartaric, and oxalic acids as a natural, bi-functional, and highly stable catalyst is described, the obtained products were characterized by elemental analyses, molar conductance, magnetic susceptibility, FTIR, Uv-Vis spectral data, NMR-C, NMR-H, and NMR-P analyses.

Keywords: α-aminophosphonates, aminophenols, natural acids, aqueous media, Kabachnik-Fields reaction

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9035 Using of Particle Swarm Optimization for Loss Minimization of Vector-Controlled Induction Motors

Authors: V. Rashtchi, H. Bizhani, F. R. Tatari

Abstract:

This paper presents a new online loss minimization for an induction motor drive. Among the many loss minimization algorithms (LMAs) for an induction motor, a particle swarm optimization (PSO) has the advantages of fast response and high accuracy. However, the performance of the PSO and other optimization algorithms depend on the accuracy of the modeling of the motor drive and losses. In the development of the loss model, there is always a trade off between accuracy and complexity. This paper presents a new online optimization to determine an optimum flux level for the efficiency optimization of the vector-controlled induction motor drive. An induction motor (IM) model in d-q coordinates is referenced to the rotor magnetizing current. This transformation results in no leakage inductance on the rotor side, thus the decomposition into d-q components in the steady-state motor model can be utilized in deriving the motor loss model. The suggested algorithm is simple for implementation.

Keywords: induction machine, loss minimization, magnetizing current, particle swarm optimization

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9034 H₆P₂W₁₈O₆₂.14H₂O Catalyzed Synthesis of α-Aminophosphonates from Amino Acids Esters

Authors: Sarra Boughaba

Abstract:

α-aminophosphonates have found a wide range of applications in organic and medicinal chemistry; they are considered as pharmacological agents, anti-inflammatory antitumor agents, and antibiotics. A number of procedures have been developed for their synthesis. However, many of these methods suffer from some disadvantages such as long reaction times, environmental pollution, utilization of organic solvents, and expensive catalysts. In the past few years, heteropolyacids have received great attention as environmentally benign catalysts for organic synthetic processes, they possess unique physicochemical properties, such as super-acidity, high thermal and chemical stability, ability to accept and release electrons and high proton mobility, and the possibility of varying their acidity and oxidizing potential. In this context, an efficient and eco-friendly protocol has been described for the synthesis of α-aminophosphonates via one pot, three component reaction catalyzed by H₆P₂W₁₈O₆₂.14H₂O as reusable catalyst, by condensation of amino acids esters, various aromatic aldehydes and triethylphosphite under solvent-free conditions, the corresponding α-aminophosphonates were formed in good yields as racemic or diastereomericmixture. All the new products were systematically characterized by IR, MS, and ¹H, ¹³C-³¹P-NMR analyses. This method offers advantages such as simplicity workup with the green aspects by avoiding expensive catalysts and toxic solvents, good yields, short reaction times.

Keywords: amino acids esters, α-aminophosphonates, H₆P₂W₁₈O₆₂.14H₂O catalyst, green chemistry

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9033 Development of Membrane Reactor for Auto Thermal Reforming of Dimethyl Ether for Hydrogen Production

Authors: Tie-Qing Zhang, Seunghun Jung, Young-Bae Kim

Abstract:

This research is devoted to developing a membrane reactor to flexibly meet the hydrogen demand of onboard fuel cells, which is an important part of green energy development. Among many renewable chemical products, dimethyl ether (DME) has the advantages of low reaction temperature (400 °C in this study), high hydrogen atom content, low toxicity, and easy preparation. Autothermal reforming, on the other hand, has a high hydrogen recovery rate and exhibits thermal neutrality during the reaction process, so the additional heat source in the hydrogen production process can be omitted. Therefore, the DME auto thermal reforming process was adopted in this study. To control the temperature of the reaction catalyst bed and hydrogen production rate, a Model Predictive Control (MPC) scheme was designed. Taking the above two variables as the control objectives, stable operation of the reformer can be achieved by controlling the flow rates of DME, steam, and high-purity air in real-time. To prevent catalyst poisoning in the fuel cell, the hydrogen needs to be purified to reduce the carbon monoxide content to below 50 ppm. Therefore, a Pd-Ag hydrogen semi-permeable membrane with a thickness of 3-5 μm was inserted into the auto thermal reactor, and the permeation efficiency of hydrogen was improved by steam purging on the permeation side. Finally, hydrogen with a purity of 99.99 was obtained.

Keywords: hydrogen production, auto thermal reforming, membrane, fuel cell

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9032 Percentage Contribution of Lower Limb Moments to Vertical Ground Reaction Force in Normal Walking

Authors: Salam M. Elhafez, Ahmed A. Ashour, Naglaa M. Elhafez, Ghada M. Elhafez, Azza M. Abdelmohsen

Abstract:

Patients suffering from gait disturbances are referred by having muscle group dysfunctions. There is a need for more studies investigating the contribution of muscle moments of the lower limb to the vertical ground reaction force using 3D gait analysis system. The purpose of this study was to investigate how the hip, knee and ankle moments in the sagittal plane contribute to the vertical ground reaction force in healthy subjects during normal speed of walking. Forty healthy male individuals volunteered to participate in this study. They were filmed using six high speed (120 Hz) Pro-Reflex Infrared cameras (Qualisys) while walking on an AMTI force platform. The data collected were the percentage contribution of the moments of the hip, knee and ankle joints in the sagittal plane at the instant of occurrence of the first peak, second peak, and the trough of the vertical ground reaction force. The results revealed that at the first peak of the ground reaction force (loading response), the highest contribution was generated from the knee extension moment, followed by the hip extension moment. Knee flexion and ankle plantar flexion moments produced high contribution to the trough of the ground reaction force (midstance) with approximately equal values. The second peak of the ground reaction force was mainly produced by the ankle plantar flexion moment. Conclusion: Hip and knee flexion and extension moments and ankle plantar flexion moment play important roles in the supporting phase of normal walking.

Keywords: gait analysis, ground reaction force, moment contribution, normal walking

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9031 Effectiveness of Natural Zeolite in Mitigating Alkali Silica Reaction Expansions

Authors: Esma Gizem Daskiran, Mehmet Mustafa Daskiran

Abstract:

This paper investigates the effectiveness of two natural zeolites in reducing expansion of concrete due to alkali-silica reaction. These natural zeolites have different reactive silica content. Three aggregates; two natural sand and one crushed stone aggregate were used while preparing mortar bars in accordance with accelerated mortar bar test method, ASTM C1260. Performance of natural zeolites are compared by examining the expansions due to alkali silica reaction. Natural zeolites added to the mixtures at %10 and %20 replacement levels by weight of cement. Natural zeolite with high reactive silica content had better performance on reducing expansions due to ASR. In this research, using high reactive zeolite at %20 replacement level was effective in mitigating expansions.

Keywords: alkali silica reaction, natural zeolite, durability, expansion

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9030 316L Passive Film Modification During Pitting Corrosion Process

Authors: Amina Sriba

Abstract:

In this work, interactions between the chemical elements forming the passive film of welded austenitic stainless steel during pitting corrosion are studied. We pay special attention to the chemical elements chromium, molybdenum, iron, nickel, and silicon since they make up the passive film that covers the fusion zone's surface in the welded joint. Molybdenum and chromium are typically the two essential components that control the three crucial stages of pit formation. It was found that while the involvement of chromium is more prominent during the propagation of a pit that has already begun, the enrichment of the molybdenum element in the passive film becomes apparent from the first stage of pit initiation. Additionally, during the pitting corrosion process, there was a noticeable fluctuation in the quantities of the produced oxides and hydroxide species from zone to zone. Regarding the formed hydroxide species, we clearly see that Nickel hydroxides are added to those of Chromium to constitute the outer layer in the passive film of the fusion zone sample, compared to the base metal sample, where only Chromium hydroxide formed on its surface during the pitting corrosion process. This reaction is caused by the preferential dissolution of the austenite phase instead of ferrite in the fusion zone.

Keywords: fusion zone, passive film, chemical elements, pit

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9029 Extracting the Atmospheric Carbon Dioxide and Convert It into Useful Minerals at the Room Conditions

Authors: Muthana A. M. Jamel Al-Gburi

Abstract:

Elimination of carbon dioxide (CO2) gas from our atmosphere is very important but complicated, and since there is always an increase in the gas amounts of the other greenhouse ones in our atmosphere, causes by both some of the human activities and the burning of the fossil fuels, which leads to the Global Warming phenomena i.e., increasing the earth temperature to a higher level, creates desertification, tornadoes and storms. In our present research project, we constructed our own system to extract carbon dioxide directly from the atmospheric air at the room conditions and investigated how to convert the gas into a useful mineral or Nano scale fibers made of carbon by using several chemical processes and chemical reactions leading to a valuable building material and also to mitigate the environmental negative change. In the present water pool system (Carbone Dioxide Domestic Extractor), the ocean-sea water was used to dissolve the CO2 gas from the room and converted into carbonate minerals by using a number of additives like shampoo, clay and MgO. Note that the atmospheric air includes CO2 gas has circulated within the sea water by air pump connected to a perforated tubes fixed deep on the pool base. Those chemical agents were mixed with the ocean-sea water to convert the formed acid from the water-CO2 reaction into a useful mineral. After we successfully constructed the system, we did intense experiments and investigations on the CO2 gas reduction level and found which is the optimum active chemical agent to work in the atmospheric conditions.

Keywords: global warming, CO₂ gas, ocean-sea water, additives, solubility level

Procedia PDF Downloads 76