Search results for: Abstract chemical reaction network
4500 Kinetic Study of 1-Butene Isomerization over Hydrotalcite Catalyst
Authors: S. Sripinun, K. Suriye, S. Kunjara Na Ayudhyab, P. Praserthdam, S. Assabumrungrat
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This work studied the isomerization of 1-butene over hydrotalcite catalyst. The experiments were conducted at various gas hourly space velocity (GHSV), reaction temperature and feed concentration. No catalyst deactivation was observed over the reaction time of 16 hours. Two major reaction products were trans-2- butene and cis-2-butene. The reaction temperature played an important role on the reaction selectivity. At high operating temperatures, the selectivity of trans-2-butene was higher than the selectivity of cis-2-butene while it was opposite at lower reaction temperature. In the range of operating condition, the maximum conversion of 1-butene was found at 74% when T = 673 K and GHSV = 4 m3/h/kg-cat with trans- and cis-2-butene selectivities of 54% and 46%, respectively. Finally, the kinetic parameters of the reaction were determined.Keywords: Hydrotalcite, isomerization, kinetic, 1-butene.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 23674499 Neural Networks for Distinguishing the Performance of Two Hip Joint Implants on the Basis of Hip Implant Side and Ground Reaction Force
Authors: L. Parisi
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In this research work, neural networks were applied to classify two types of hip joint implants based on the relative hip joint implant side speed and three components of each ground reaction force. The condition of walking gait at normal velocity was used and carried out with each of the two hip joint implants assessed. Ground reaction forces’ kinetic temporal changes were considered in the first approach followed but discarded in the second one. Ground reaction force components were obtained from eighteen patients under such gait condition, half of which had a hip implant type I-II, whilst the other half had the hip implant, defined as type III by Orthoload®. After pre-processing raw gait kinetic data and selecting the time frames needed for the analysis, the ground reaction force components were used to train a MLP neural network, which learnt to distinguish the two hip joint implants in the abovementioned condition. Further to training, unknown hip implant side and ground reaction force components were presented to the neural networks, which assigned those features into the right class with a reasonably high accuracy for the hip implant type I-II and the type III. The results suggest that neural networks could be successfully applied in the performance assessment of hip joint implants.
Keywords: Kinemic gait data, Neural networks, Hip joint implant, Hip arthroplasty, Rehabilitation Engineering.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 17984498 Formation of Chemical Compound Layer at the Interface of Initial Substances A and B with Dominance of Diffusion of the A Atoms
Authors: Pavlo Selyshchev, Samuel Akintunde
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A theoretical approach to consider formation of chemical compound layer at the interface between initial substances A and B due to the interfacial interaction and diffusion is developed. It is considered situation when speed of interfacial interaction is large enough and diffusion of A-atoms through AB-layer is much more then diffusion of B-atoms. Atoms from A-layer diffuse toward B-atoms and form AB-atoms on the surface of B-layer. B-atoms are assumed to be immobile. The growth kinetics of the AB-layer is described by two differential equations with non-linear coupling, producing a good fit to the experimental data. It is shown that growth of the thickness of the AB-layer determines by dependence of chemical reaction rate on reactants concentration. In special case the thickness of the AB-layer can grow linearly or parabolically depending on that which of processes (interaction or the diffusion) controls the growth. The thickness of AB-layer as function of time is obtained. The moment of time (transition point) at which the linear growth are changed by parabolic is found.
Keywords: Phase formation, Binary systems, Interfacial Reaction, Diffusion, Compound layers, Growth kinetics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 17614497 Biodiesel Production over nano-MgO Supported on Titania
Authors: Liberty L Mguni, Reinout Meijboom, Kalala Jalama
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Nano-MgO was successfully deposited on titania using deposition-precipitation method. The catalyst produced was characterised using FTIR, XRD, BET and XRF and its activity was tested on the transesterification reaction of soybean oil to biodiesel. The catalyst activity improved when the reaction temperature was increasedfrom 150 and 225 OC. It was also observed that increasing the reaction time above 1h had no significant benefit on conversion. The stability fixed MgO on TiO2 was investigated using XRF and ICP-OES. It was observed that MgO loss during the reaction was between 0.5-2.3 percent and that there was no correlation between the reaction temperature and the MgO loss.
Keywords: Nano-MgO, TiO2, transesterification
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 19214496 Simultaneous Reaction-Separation in a Microchannel Reactor with the Aid of a Guideline Structure
Authors: Salah Aljbour, Hiroshi Yamada, Tomohiko Tagawa
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A microchannel with two inlets and two outlets was tested as a potential reactor to carry out two-phase catalytic phase transfer reaction with phase separation at the exit of the microchannel. The catalytic phase transfer reaction between benzyl chloride and sodium sulfide was chosen as a model reaction. The effect of operational time on the conversion was studied. By utilizing a multiphase parallel flow inside the microchannel reactor with the aid of a guideline structure, the catalytic phase reaction followed by phase separation could be ensured. The organic phase could be separated completely from one exit and part of the aqueous phase was separated purely and could be reused with slightly affecting the catalytic phase transfer reaction.
Keywords: Green engineering, microchannel reactor, multiphase reaction, process intensification.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 16014495 Radiation Effect on MHD Casson Fluid Flow over a Power-Law Stretching Sheet with Chemical Reaction
Authors: Motahar Reza, Rajni Chahal, Neha Sharma
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This article addresses the boundary layer flow and heat transfer of Casson fluid over a nonlinearly permeable stretching surface with chemical reaction in the presence of variable magnetic field. The effect of thermal radiation is considered to control the rate of heat transfer at the surface. Using similarity transformations, the governing partial differential equations of this problem are reduced into a set of non-linear ordinary differential equations which are solved by finite difference method. It is observed that the velocity at fixed point decreases with increasing the nonlinear stretching parameter but the temperature increases with nonlinear stretching parameter.
Keywords: Boundary layer flow, nonlinear stretching, Casson fluid, heat transfer, radiation.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 17904494 The Study of Chain Initiation Effect on the Direct Initiation of Detonation
Authors: Masoud Afrand, Saeid Farahat, Mehdi Alamkar
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In this research, effect of combustion reaction mechanism on direct initiation of detonation has been studied numerically. For this purpose, reaction mechanism has been simulated by using a three-step chemical kinetics model. The reaction scheme consists sequentially of a chain-initiation and chainbranching step, followed by a temperature -independent chaintermination. In a previous research, the effect of chain-branching on the direct initiation of detonation is studied. In this research effect of chain-initiation on direct initiation of detonation is investigated. For the investigation, first a characteristic time (τ) for each step of mechanism, which includes effect of different kinetics parameters, is defined. Then the effect of characteristic time of chain-initiation (τI) on critical initiation energy is studied. It is seen that increasing τI, causes critical initiation energy to be increased. Drawing detonation's shock pressure diagrams for different cases, shows that in small value of τI , kinetics has more important effect on the behavior of the wave.Keywords: Detonation initiation, Initiation energy, Reaction rate, Characteristic time.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 19644493 Ignition Analysis in Supersonic Turbulent Mixing Layer
Authors: A. M. Tahsini
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Numerical study of two dimensional supersonic hydrogen-air mixing layer is performed to investigate the effect of turbulence and chemical additive on ignition distance. Chemical reaction is treated using detail kinetics. Advection upstream splitting method is used to calculate the fluxes and one equation turbulence model is chosen here to simulate the considered problem. Hydrogen peroxide is used as an additive and the results show that inflow turbulence and chemical additive may drastically decrease the ignition delay in supersonic combustion.Keywords: Ignition, Mixing layer, Numerical simulation, Supersonic combustion, Turbulence
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 17244492 Modification of Palm Oil Structure to Cocoa Butter Equivalent by Carica papaya Lipase- Catalyzed Interesterification
Authors: P. Pinyaphong, S. Phutrakul
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Palm oil could be converted to cocoa butter equivalent by lipase-catalyzed interesterification. The objective of this research was to investigate the structure modification of palm oil to cocoa butter equivalent using Carica papaya lipase –catalyzed interesterification. The study showed that the compositions of cocoa butter equivalent were affected by acyl donor sources, substrate ratio, initial water of enzyme, reaction time, reaction temperature and the amount of enzyme. Among three acyl donors tested (methyl stearate, ethyl stearate and stearic acid), methyl stearate appeared to be the best acyl donor for incorporation to palm oil structure. The best reaction conditions for cocoa butter equivalent production were : substrate ratio (palm oil : methyl stearate, mol/mol) at 1 : 4, water activity of enzyme at 0.11, reaction time at 4 h, reaction temperature at 45 ° C and 18% by weight of the enzyme. The chemical and physical properties of cocoa butter equivalent were 9.75 ± 0.41% free fatty acid, 44.89 ± 0.84 iodine number, 193.19 ± 0.78 sponification value and melting point at 37-39 °C.
Keywords: Carica papaya lipase, cocoa butter equivalent, interesterification, palm oil.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 32204491 RBF Modelling and Optimization Control for Semi-Batch Reactors
Authors: Magdi M. Nabi, Ding-Li Yu
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This paper presents a neural network based model predictive control (MPC) strategy to control a strongly exothermic reaction with complicated nonlinear kinetics given by Chylla-Haase polymerization reactor that requires a very precise temperature control to maintain product uniformity. In the benchmark scenario, the operation of the reactor must be guaranteed under various disturbing influences, e.g., changing ambient temperatures or impurity of the monomer. Such a process usually controlled by conventional cascade control, it provides a robust operation, but often lacks accuracy concerning the required strict temperature tolerances. The predictive control strategy based on the RBF neural model is applied to solve this problem to achieve set-point tracking of the reactor temperature against disturbances. The result shows that the RBF based model predictive control gives reliable result in the presence of some disturbances and keeps the reactor temperature within a tight tolerance range around the desired reaction temperature.
Keywords: Chylla-Haase reactor, RBF neural network modelling, model predictive control.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 24964490 Reaction Kinetics of Biodiesel Production from Refined Cottonseed Oil Using Calcium Oxide
Authors: Ude N. Callistus, Amulu F. Ndidi, Onukwuli D. Okechukwu, Amulu E. Patrick
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Power law approximation was used in this study to evaluate the reaction orders of calcium oxide, CaO catalyzed transesterification of refined cottonseed oil and methanol. The kinetics study was carried out at temperatures of 45, 55 and 65 oC. The kinetic parameters such as reaction order 2.02 and rate constant 2.8 hr-1g-1cat, obtained at the temperature of 65 oC best fitted the kinetic model. The activation energy, Ea obtained was 127.744 KJ/mol. The results indicate that the transesterification reaction of the refined cottonseed oil using calcium oxide catalyst is approximately second order reaction.Keywords: Refined cottonseed oil, transesterification, CaO, heterogeneous catalysts, kinetic model.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 17174489 New Investigation of the Exchange Effects Role on the Elastic and Inelastic Scattering of α-Particles on 9Be
Authors: A. Amar, N. Burtebayev, Zh. K. Kerimkulov, M. K. Baktybayev, J. T. Burtebayeva, A. K. Morzabayev, S. K. Sakhiev, N. Saduyev, S. B. Sakuta
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Elastic and inelastic scattering of α-particles by 9Be nuclei at different incident energies have been analyzed. Optical model parameters (OMPs) of α-particles elastic scattering by 9Be at different energies have been obtained. Coupled Reaction Channel (CRC) of elastic scattering, inelastic scattering and transfer reaction has been calculated using Fresco Code. The effect of involving CRC calculations on the analysis of differential cross section has been studied. The transfer reaction of (5He) in the reaction 9Be(α,9Be)α has been studied. The spectroscopic factor of 9Be≡α+5He has been extracted.
Keywords: Elastic scattering of α-particles, Optical model parameters, Coupled Reaction Channel, the transfer reaction of (5He), the spectroscopic factor of 9Be≡α+5He.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 29554488 Heat and Mass Transfer in MHD Flow of Nanofluids through a Porous Media Due to a Permeable Stretching Sheet with Viscous Dissipation and Chemical Reaction Effects
Authors: Yohannes Yirga, Daniel Tesfay
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The convective heat and mass transfer in nanofluid flow through a porous media due to a permeable stretching sheet with magnetic field, viscous dissipation, chemical reaction and Soret effects are numerically investigated. Two types of nanofluids, namely Cu-water and Ag-water were studied. The governing boundary layer equations are formulated and reduced to a set of ordinary differential equations using similarity transformations and then solved numerically using the Keller box method. Numerical results are obtained for the skin friction coefficient, Nusselt number and Sherwood number as well as for the velocity, temperature and concentration profiles for selected values of the governing parameters. Excellent validation of the present numerical results has been achieved with the earlier linearly stretching sheet problems in the literature.
Keywords: Heat and mass transfer, magnetohydrodynamics, nanofluid.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 37864487 Preparation and Properties of Biopolymer from L-Lactide (LL) and ε-Caprolactone (CL)
Authors: A. Buasri, N. Chaiyut, K. Iamma, K. Kongcharoen, K. Cheunsakulpong
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Biopolymers have gained much attention as ecofriendly alternatives to petrochemical-based plastics because they are biodegradable and can be produced from renewable feedstocks. One class of biopolyester with many potential environmentally friendly applications is polylactic acid (PLA) and polycaprolactone (PCL). The PLA/PCL biodegradable copolyesters were synthesized by bulk ring-opening copolymerization of successively added Llactide (LL) and ε-caprolactone (CL) in the presence of toluene, using 1-hexanol as initiator and stannous octoate (Sn(Oct)2) as catalyst. Reaction temperature, reaction time and amount of catalyst were evaluated to obtain optimum reaction conditions. The results showed that the %conversion increased with increases in reaction temperature and reaction time, but after a critical amount of catalyst was reached the %conversion decreased. The yield of PLA/PCL biopolymer achieved 98.02% at the reaction temperature 160 °C, amount of catalyst 0.3 mol% and reaction time of 48 h. In addition, the thermal properties of the product were determined by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA).
Keywords: Biopolymer, Polylactic Acid (PLA), Polycaprolactone (PCL), L-Lactide (LL), ε-Caprolactone (CL)
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 45004486 Synthesis of TiO2 Nanoparticles by Sol-Gel and Sonochemical Combination
Authors: Sabriye Piskin, Sibel Kasap, Muge Sari Yilmaz
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Nanocrystalline TiO2 particles were successfully synthesized via sol-gel and sonochemical combination using titanium tetraisopropoxide as a precursor at lower temperature for a short time. The effect of the reaction parameters (hydrolysis media, acid media, and reaction temperatures) on the synthesis of TiO2 particles were investigated in the present study. Characterizations of synthesized samples were prepared by X-ray diffraction (XRD) analysis. It was shown that the reaction parameters played a significant role in the synthesis of TiO2 particles.
Keywords: Crystalline TiO2, sonochemical mechanism, sol-gel reaction.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 20204485 Mapping Semantic Networks to Undirected Networks
Authors: Marko A. Rodriguez
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There exists an injective, information-preserving function that maps a semantic network (i.e a directed labeled network) to a directed network (i.e. a directed unlabeled network). The edge label in the semantic network is represented as a topological feature of the directed network. Also, there exists an injective function that maps a directed network to an undirected network (i.e. an undirected unlabeled network). The edge directionality in the directed network is represented as a topological feature of the undirected network. Through function composition, there exists an injective function that maps a semantic network to an undirected network. Thus, aside from space constraints, the semantic network construct does not have any modeling functionality that is not possible with either a directed or undirected network representation. Two proofs of this idea will be presented. The first is a proof of the aforementioned function composition concept. The second is a simpler proof involving an undirected binary encoding of a semantic network.Keywords: general-modeling, multi-relational networks, semantic networks
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 14424484 An efficient Activity Network Reduction Algorithm based on the Label Correcting Tracing Algorithm
Authors: Weng Ming Chu
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When faced with stochastic networks with an uncertain duration for their activities, the securing of network completion time becomes problematical, not only because of the non-identical pdf of duration for each node, but also because of the interdependence of network paths. As evidenced by Adlakha & Kulkarni [1], many methods and algorithms have been put forward in attempt to resolve this issue, but most have encountered this same large-size network problem. Therefore, in this research, we focus on network reduction through a Series/Parallel combined mechanism. Our suggested algorithm, named the Activity Network Reduction Algorithm (ANRA), can efficiently transfer a large-size network into an S/P Irreducible Network (SPIN). SPIN can enhance stochastic network analysis, as well as serve as the judgment of symmetry for the Graph Theory.Keywords: Series/Parallel network, Stochastic network, Network reduction, Interdictive Graph, Complexity Index.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 13794483 Fuzzy Inference Based Modelling of Perception Reaction Time of Drivers
Authors: U. Chattaraj, K. Dhusiya, M. Raviteja
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Perception reaction time of drivers is an outcome of human thought process, which is vague and approximate in nature and also varies from driver to driver. So, in this study a fuzzy logic based model for prediction of the same has been presented, which seems suitable. The control factors, like, age, experience, intensity of driving of the driver, speed of the vehicle and distance of stimulus have been considered as premise variables in the model, in which the perception reaction time is the consequence variable. Results show that the model is able to explain the impacts of the control factors on perception reaction time properly.Keywords: Driver, fuzzy logic, perception reaction time, premise variable.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 10144482 Security of Mobile Agent in Ad hoc Network using Threshold Cryptography
Authors: S.M. Sarwarul Islam Rizvi, Zinat Sultana, Bo Sun, Md. Washiqul Islam
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In a very simple form a Mobile Agent is an independent piece of code that has mobility and autonomy behavior. One of the main advantages of using Mobile Agent in a network is - it reduces network traffic load. In an, ad hoc network Mobile Agent can be used to protect the network by using agent based IDS or IPS. Besides, to deploy dynamic software in the network or to retrieve information from network nodes Mobile Agent can be useful. But in an ad hoc network the Mobile Agent itself needs some security. Security services should be guaranteed both for Mobile Agent and for Agent Server. In this paper to protect the Mobile Agent and Agent Server in an ad hoc network we have proposed a solution which is based on Threshold Cryptography, a new vibe in the cryptographic world where trust is distributed among multiple nodes in the network.
Keywords: Ad hoc network, Mobile Agent, Security, Threats, Threshold Cryptography.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 19674481 Generation of Sets of Synthetic Classifiers for the Evaluation of Abstract-Level Combination Methods
Authors: N. Greco, S. Impedovo, R.Modugno, G. Pirlo
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This paper presents a new technique for generating sets of synthetic classifiers to evaluate abstract-level combination methods. The sets differ in terms of both recognition rates of the individual classifiers and degree of similarity. For this purpose, each abstract-level classifier is considered as a random variable producing one class label as the output for an input pattern. From the initial set of classifiers, new slightly different sets are generated by applying specific operators, which are defined at the purpose. Finally, the sets of synthetic classifiers have been used to estimate the performance of combination methods for abstract-level classifiers. The experimental results demonstrate the effectiveness of the proposed approach.
Keywords: Abstract-level Classifier, Dempster-Shafer Rule, Multi-expert Systems, Similarity Index, System Evaluation
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 14894480 Heuristic Optimization Techniques for Network Reconfiguration in Distribution System
Authors: A. Charlangsut, N. Rugthaicharoencheep, S. Auchariyamet
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Network reconfiguration is an operation to modify the network topology. The implementation of network reconfiguration has many advantages such as loss minimization, increasing system security and others. In this paper, two topics about the network reconfiguration in distribution system are briefly described. The first topic summarizes its impacts while the second explains some heuristic optimization techniques for solving the network reconfiguration problem.Keywords: Network Reconfiguration, Optimization Techniques, Distribution System
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 27574479 Determination of the Zinc Oxide and Boric Acid Optimum Molar Ratio on the Ultrasonic Synthesis of Zinc Borates
Authors: A. Ersan, A. S. Kipcak, M. Yildirim, A. M. Erayvaz, E. M. Derun, N. Tugrul, S. Piskin
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Zinc borates are used as a multi-functional flame retardant additive for its high dehydration temperature. In this study, the method of ultrasonic mixing was used in the synthesis of zinc borates. The reactants of zinc oxide (ZnO) and boric acid (H3BO3) were used at the constant reaction parameters of 90°C reaction temperature and 55 min of reaction time. Several molar ratios of ZnO:H3BO3 (1:1, 1:2, 1:3, 1:4 and 1:5) were conducted for the determination of the optimum reaction ratio. Prior to synthesis the characterization of the synthesized zinc borates were made by X-Ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FT-IR). From the results Zinc Oxide Borate Hydrate [Zn3B6O12.3.5H2O], were synthesized optimum at the molar ratio of 1:3, with a reaction efficiency of 95.2%.Keywords: Zinc borates, ultrasonic mixing, XRD, FT-IR, reaction efficiency.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 19424478 The Thermochemical Conversion of Lactic Acid in Subcritical and Supercritical Water
Authors: Shyh-Ming Chern, Hung-Chi Tu
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One way to utilize biomass is to thermochemically convert it into gases and chemicals. For conversion of biomass, glucose is a particularly popular model compound for cellulose, or more generally for biomass. The present study takes a different approach by employing lactic acid as the model compound for cellulose. Since lactic acid and glucose have identical elemental composition, they are expected to produce similar results as they go through the conversion process. In the current study, lactic acid was thermochemically converted to assess its reactivity and reaction mechanism in subcritical and supercritical water, by using a 16-ml autoclave reactor. The major operating parameters investigated include: The reaction temperature, from 673 to 873 K, the reaction pressure, 10 and 25 MPa, the dosage of oxidizing agent, 0 and 0.5 chemical oxygen demand, and the concentration of lactic acid in the feed, 0.5 and 1.0 M. Gaseous products from the conversion were generally found to be comparable to those derived from the conversion of glucose.
Keywords: Lactic acid, subcritical water, supercritical water, thermochemical conversion.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 10884477 Green Synthesis of Butyl Acetate, A Pineapple Flavour via Lipase-Catalyzed Reaction
Authors: S. Mat Radzi, W.A.F. Mustafa, S.S Othman, H.M. Noor
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Nowadays, butyl acetate, a pineapple flavor has been applied widely in food, beverage, cosmetic and pharmaceutical industries. In this study, Butyl acetate, a flavor ester was successfully synthesized via green synthesis of enzymatic reaction route. Commercial immobilized lipase from Rhizomucor miehei (Lipozyme RMIM) was used as biocatalyst in the esterification reaction between acetic acid and butanol. Various reaction parameters such as reaction time (RT), temperature (T) and amount of enzyme (E) were chosen to optimize the reaction synthesis in solvent-free system. The optimum condition to produce butyl acetate was at reaction time (RT), 18 hours; temperature (T), 37°C and amount of enzyme, 25 % (w/w of total substrate). Analysis of yield showed that at optimum condition, >78 % of butyl acetate was produced. The product was confirmed as butyl acetate from FTIR analysis whereby the presence of an ester group was observed at wavenumber of 1742 cm-1.
Keywords: Butyl acetate, immobilized enyzme, esterification, flavor ester, green synthesis
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 37594476 In vitro Biological Activity of Some Synthesized Monoazo Heterocycles Based On Thiophene and Thiazolyl-Thiophene Analogues
Authors: M. E. Khalifa, A. A. Gobouri
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Potential synthesis of a series of 3-amino-4-arylazothiophene derivatives from reaction of 2-cyano-2-phenylthiocarbamoyl acetamide and the appropriate α-halogenated reagents, followed by coupling with different aryl diazonium salts (Japp-Klingemann reaction), and another series of 5-arylazo-thiazol-2-ylcarbamoyl-thiophene derivatives from base-catalyzed intramolecular condensation of 5-arylazo-2-(N-chloroacetyl)amino-thiazole with selected b-keto compounds (Thorpe-Ziegler reaction) was performed. The biological activity of the two series was studied in vitro. Their versatility for pharmaceutical purposes was reported, where they displayed remarkable activities against selected pathogenic microorganisms; Bacillus subtilis, Staphylococcus aureus (Gram positive bacteria), Escherichia coli, Pseudomonas aeruginosa (Gram negative bacteria), and Aspergillus flavus, Candida albicans (fungi) with various degrees related to their chemical structures.
Keywords: 2-Aminothiazole, antimicrobial, monoazo compounds, thiophene, pathogenic microorganisms.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 22294475 Rigorous Modeling of Fixed-Bed Reactors Containing Finite Hollow Cylindrical Catalyst with Michaelis-Menten Type of Kinetics
Authors: Mohammad Asif
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A large number of chemical, bio-chemical and pollution-control processes use heterogeneous fixed-bed reactors. The use of finite hollow cylindrical catalyst pellets can enhance conversion levels in such reactors. The absence of the pellet core can significantly lower the diffusional resistance associated with the solid phase. This leads to a better utilization of the catalytic material, which is reflected in the higher values for the effectiveness factor, leading ultimately to an enhanced conversion level in the reactor. It is however important to develop a rigorous heterogeneous model for the reactor incorporating the two-dimensional feature of the solid phase owing to the presence of the finite hollow cylindrical catalyst pellet. Presently, heterogeneous models reported in the literature invariably employ one-dimension solid phase models meant for spherical catalyst pellets. The objective of the paper is to present a rigorous model of the fixed-bed reactors containing finite hollow cylindrical catalyst pellets. The reaction kinetics considered here is the widely used Michaelis–Menten kinetics for the liquid-phase bio-chemical reactions. The reaction parameters used here are for the enzymatic degradation of urea. Results indicate that increasing the height to diameter ratio helps to improve the conversion level. On the other hand, decreasing the thickness is apparently not as effective. This could however be explained in terms of the higher void fraction of the bed that causes a smaller amount of the solid phase to be packed in the fixed-bed bio-chemical reactor.
Keywords: Fixed-bed reactor, Finite hollow cylinder, Catalyst pellet, Conversion, Michaelis-Menten kinetics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 15974474 Dynamics in Tangible Chemical Reactions
Authors: Patrick Maier, Marcus Tönnis, Gudrun Klinker
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Spatial understanding and the understanding of dynamic change in the spatial structure of molecules during a reaction is essential for designing new molecules. Knowing the physical processes in the reactions helps to speed up the designing process. To support the designer with the correct representation of the designed molecule as well as showing the dynamic behavior of the whole reacting system is the goal of our application. Our system shows the spatial deformation of the molecules at every time interval by minimizing the energy level of the molecules. The position and orientation of the molecules can be intuitively controlled by manipulating objects of the real world using Augmented Reality techniques. Our approach has the potential to speed up the design of new molecules and help students to understand the chemical processes better.Keywords: Augmented Augmented Chemical Reactions, Augmented Reality, chemistry, education.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 17794473 Biodiesel Production from Palm Oil using Heterogeneous Base Catalyst
Authors: Sirichai Chantara-arpornchai, Apanee Luengnaruemitchai, Samai Jai-In
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In this study, the transesterification of palm oil with methanol for biodiesel production was studied by using CaO–ZnO as a heterogeneous base catalyst prepared by incipient-wetness impregnation (IWI) and co-precipitation (CP) methods. The reaction parameters considered were molar ratio of methanol to oil, amount of catalyst, reaction temperature, and reaction time. The optimum conditions–15:1 molar ratio of methanol to oil, a catalyst amount of 6 wt%, reaction temperature of 60 °C, and reaction time of 8 h–were observed. The effects of Ca loading, calcination temperature, and catalyst preparation on the catalytic performance were studied. The fresh and spent catalysts were characterized by several techniques, including XRD, TPR, and XRF.
Keywords: CaO, ZnO, biodiesel, heterogeneous catalyst, trans-esterification.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 25694472 A Study of Numerical Reaction-Diffusion Systems on Closed Surfaces
Authors: Mei-Hsiu Chi, Jyh-Yang Wu, Sheng-Gwo Chen
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The diffusion-reaction equations are important Partial Differential Equations in mathematical biology, material science, physics, and so on. However, finding efficient numerical methods for diffusion-reaction systems on curved surfaces is still an important and difficult problem. The purpose of this paper is to present a convergent geometric method for solving the reaction-diffusion equations on closed surfaces by an O(r)-LTL configuration method. The O(r)-LTL configuration method combining the local tangential lifting technique and configuration equations is an effective method to estimate differential quantities on curved surfaces. Since estimating the Laplace-Beltrami operator is an important task for solving the reaction-diffusion equations on surfaces, we use the local tangential lifting method and a generalized finite difference method to approximate the Laplace-Beltrami operators and we solve this reaction-diffusion system on closed surfaces. Our method is not only conceptually simple, but also easy to implement.Keywords: Close surfaces, high-order approach, numerical solutions, reaction-diffusion systems.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 12684471 Parametric Analysis of Effective Factors on the Seismic Rehabilitation of the Foundations by Network Micropile
Authors: Keivan Abdollahi, Alireza Mortezaei
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The main objective of seismic rehabilitation in the foundations is decreasing the range of horizontal and vertical vibrations and omitting high frequencies contents under the seismic loading. In this regard, the advantages of micropiles network is utilized. Reduction in vibration range of foundation can be achieved by using high dynamic rigidness module such as deep foundations. In addition, natural frequency of pile and soil system increases in regard to rising of system rigidness. Accordingly, the main strategy is decreasing of horizontal and vertical seismic vibrations of the structure. In this case, considering the impact of foundation, pile and improved soil foundation is a primary concern. Therefore, in this paper, effective factors are studied on the seismic rehabilitation of foundations applying network micropiles in sandy soils with nonlinear reaction.Keywords: Micropile network, rehabilitation, vibration, seismic load.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2028