Search results for: Reaction coupling

Authors: Sudhakar Tripathi, R. B. Mishra

Abstract:

In this paper, the cable model of dendrites have been considered. The dendrites are cylindrical cables of various segments having variable length and reducing radius from start point at synapse and end points. For a particular event signal being received by a neuron in response only some dendrite are active at a particular instance. Initial current signals with different current flows in dendrite are assumed. Due to overlapping and coupling of active dendrite, they induce currents in the dendrite segments of each other at a particular instance. But how these currents are induced in the various segments of active dendrites due to coupling between these dendrites, It is not presented in the literature. Here the paper presents a model for induced currents in active dendrite segments due to mutual coupling at the starting instance of an activity in dendrite. The model is as discussed further.

Keywords: Currents, dendrites, induction, simulation.

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Authors: Aldan A. Sapargaliyev, Yerbol A. Sapargaliyev

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Since the invention, the electric machine (EM) can be defined as oEM – one-vector electric machine, as it works due to one-vector inductive coupling with use of one-vector electromagnet. The disadvantages of oEM are large size and limited efficiency at low and medium power applications. This paper describes multi-vector electric machine (mEM) based on multi-vector inductive coupling, which is characterized by the increased surface area of ​​the inductive coupling per EM volume, with a reduced share of inefficient and energy-consuming part of the winding, in comparison with oEM’s. Particularly, it is considered, calculated and compared the performance of three different electrical motors and their power at the same volumes and rotor frequencies. It is also presented the result of calculation of correlation between power density and volume for oEM and mEM. The method of multi-vector inductive coupling enables mEM to possess 1.5-4.0 greater density of power per volume and significantly higher efficiency, in comparison with today’s oEM, especially in low and medium power applications. mEM has distinct advantages, when used in transport vehicles such as electric cars and aircrafts.

Keywords: Electric machine, electric motor, electromagnet, efficiency of electric motor.

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Authors: S.H. Mirtalaie, M. Mohammadi, M.A. Hajabasi, F.Hejripour

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In this paper the Differential Quadrature Method (DQM) is employed to study the coupled lateral-torsional free vibration behavior of the laminated composite beams. In such structures due to the fiber orientations in various layers, the lateral displacement leads to a twisting moment. The coupling of lateral and torsional vibrations is modeled by the bending-twisting material coupling rigidity. In the present study, in addition to the material coupling, the effects of shear deformation and rotary inertia are taken into account in the definition of the potential and kinetic energies of the beam. The governing differential equations of motion which form a system of three coupled PDEs are solved numerically using DQ procedure under different boundary conditions consist of the combinations of simply, clamped, free and other end conditions. The resulting natural frequencies and mode shapes for cantilever beam are compared with similar results in the literature and good agreement is achieved.

Keywords: Differential Quadrature Method, Free vibration, Laminated composite beam, Material coupling.

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Authors: A. Ersan, A. S. Kipcak, M. Yildirim, A. M. Erayvaz, E. M. Derun, N. Tugrul, S. Piskin

Abstract:

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.

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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

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Authors: Pavlo Selyshchev, Samuel Akintunde

Abstract:

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.

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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.

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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.

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Authors: Muhammad Abdullah Arafat, Nahrin Nowrose

Abstract:

Wireless charging of electric vehicles is becoming more and more attractive as large amount of power can now be transferred to a reasonable distance using magnetic resonance coupling method. However, proper tuning of the compensation network is required to achieve maximum power transmission. Due to the variation of coil distance from the nominal value as a result of change in tire condition, change in weight or uneven road condition, the tuning of the compensation network has become challenging. In this paper, a tuning method has been described to determine the optimum values of the compensation network in order to maximize the average output power. The simulation results show that 5.2% increase in average output power is obtained for 10% variation in coupling coefficient using the optimum values without the need of additional space and electro-mechanical components. The proposed method is applicable to both static and dynamic charging of electric vehicles.

Keywords: Coupling coefficient, electric vehicles, magnetic resonance coupling, tuning capacitor, wireless power transfer.

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Authors: S.G. Srivani, Chandrasekhar Reddy Atla, K.P.Vittal

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This paper presents the development of adaptive distance relay for protection of parallel transmission line with mutual coupling. The proposed adaptive relay, automatically adjusts its operation based on the acquisition of the data from distance relay of adjacent line and status of adjacent line from line circuit breaker IED (Intelligent Electronic Device). The zero sequence current of the adjacent parallel transmission line is used to compute zero sequence current ratio and the mutual coupling effect is fully compensated. The relay adapts to changing circumstances, like failure in communication from other relays and non - availability of adjacent transmission line. The performance of the proposed adaptive relay is tested using steady state and dynamic test procedures. The fault transients are obtained by simulating a realistic parallel transmission line system with mutual coupling effect in PSCAD. The evaluation test results show the efficacy of adaptive distance relay over the conventional distance relay.

Keywords: Adaptive relaying, distance measurement, mutualcoupling, quadrilateral trip characteristic, zones of protection.

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Authors: Samira Laidaoui, Mohammed Djermane, Nazihe Terfaya

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The fluid-structure coupling is a natural phenomenon which reflects the effects of two continuums: fluid and structure of different types in the reciprocal action on each other, involving knowledge of elasticity and fluid mechanics. The solution for such problems is based on the relations of continuum mechanics and is mostly solved with numerical methods. It is a computational challenge to solve such problems because of the complex geometries, intricate physics of fluids, and complicated fluid-structure interactions. The way in which the interaction between fluid and solid is described gives the largest opportunity for reducing the computational effort. In this paper, a problem of fluid structure interaction is investigated with two-way coupling method. The formulation Arbitrary Lagrangian-Eulerian (ALE) was used, by considering a dynamic grid, where the solid is described by a Lagrangian formulation and the fluid by a Eulerian formulation. The simulation was made on the ANSYS software.

Keywords: ALE, coupling, FEM, fluid-structure interaction, one-way method, two-way method.

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Authors: Inchae Park, Byungun Yoon

Abstract:

As open innovation has received increasingly attention in the management of innovation, the importance of identifying potential partnership is increasing. This paper suggests a methodology to identify the interested parties as one of Innovation intermediaries to enable open innovation with patent network. To implement the methodology, multi-stage patent citation analysis such as bibliographic coupling and information visualization method such as keyword vector mapping are utilized. This paper has contribution in that it can present meaningful collaboration keywords to identified potential partners in network since not only citation information but also patent textual information is used.

Keywords: Open innovation, partner selection, bibliographic coupling, Keyword vector mapping, patent network.

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Authors: B.P. Bezruchko, D.A. Smirnov

Abstract:

Quantitative characterization of nonlinear directional couplings between stochastic oscillators from data is considered. We suggest coupling characteristics readily interpreted from a physical viewpoint and their estimators. An expression for a statistical significance level is derived analytically that allows reliable coupling detection from a relatively short time series. Performance of the technique is demonstrated in numerical experiments.

Keywords: Nonlinear time series analysis, directional couplings, coupled oscillators.

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Authors: Paola Lecca, Lorenzo Dematte, Corrado Priami

Abstract:

The present models and simulation algorithms of intracellular stochastic kinetics are usually based on the premise that diffusion is so fast that the concentrations of all the involved species are homogeneous in space. However, recents experimental measurements of intracellular diffusion constants indicate that the assumption of a homogeneous well-stirred cytosol is not necessarily valid even for small prokaryotic cells. In this work a mathematical treatment of diffusion that can be incorporated in a stochastic algorithm simulating the dynamics of a reaction-diffusion system is presented. The movement of a molecule A from a region i to a region j of the space is represented as a first order reaction Ai k- ! Aj , where the rate constant k depends on the diffusion coefficient. The diffusion coefficients are modeled as function of the local concentration of the solutes, their intrinsic viscosities, their frictional coefficients and the temperature of the system. The stochastic time evolution of the system is given by the occurrence of diffusion events and chemical reaction events. At each time step an event (reaction or diffusion) is selected from a probability distribution of waiting times determined by the intrinsic reaction kinetics and diffusion dynamics. To demonstrate the method the simulation results of the reaction-diffusion system of chaperoneassisted protein folding in cytoplasm are shown.

Keywords: Reaction-diffusion systems, diffusion coefficient, stochastic simulation algorithm.

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Authors: R. K. Apalowo, D. Chronopoulos, V. Thierry

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There exist a wide range of failure modes in composite structures due to the increased usage of the structures especially in aerospace industry. Moreover, temperature dependent wave response of composite and layered structures have been continuously studied, though still limited, in the last decade mainly due to the broad operating temperature range of aerospace structures. A wave finite element (WFE) and finite element (FE) based computational method is presented by which the temperature dependent wave dispersion characteristics and interaction phenomenon in composite structures can be predicted. Initially, the temperature dependent mechanical properties of the panel in the range of -100 ◦C to 150 ◦C are measured experimentally using the Thermal Mechanical Analysis (TMA). Temperature dependent wave dispersion characteristics of each waveguide of the structural system, which is discretized as a system of a number of waveguides coupled by a coupling element, is calculated using the WFE approach. The wave scattering properties, as a function of temperature, is determined by coupling the WFE wave characteristics models of the waveguides with the full FE modelling of the coupling element on which defect is included. Numerical case studies are exhibited for two waveguides coupled through a coupling element.

Keywords: Temperature dependent mechanical characteristics, wave propagation properties, damage detection, wave finite element, composite structure.

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Authors: Kambiz Tahvildari A., Narges Davari B., Mohammadreza Allahgholi Ghasri C, MasoomehBehrourzinavid D

Abstract:

Chicken fat was employed as a feedstock for producing of biodiesel by trasesterification reaction with methanol and alkali catalyst (KOH). In this study chicken fat biodiesel with 1.4% free fatty acid, methanol and various amount of potassium hydroxide for 2 hour were studied. The progression of reaction and conversion of triglycerides to methyl ester were checked by IR spectrum method.

Keywords: Alkali catalyst, biodiesel, chicken fat, transesterification reaction

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Authors: Muhammad Haitham Albahnassi, Adnan Malki, Shokri Almekdad

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In this paper, a method for reconfiguring bandwidth in a circular dual-mode resonator is presented. The method concerns the optimized geometry of a structure that may be used to host the tuning elements, which are typically RF (Radio Frequency) switches. The tuning elements themselves, and their performance during tuning, are not the focus of this paper. The designed resonator is able to reconfigure its fractional bandwidth by adjusting the inter-coupling level between the degenerate modes, while at the same time improving its response by adjusting the external-coupling level and keeping the center frequency fixed. The inter-coupling level has been adjusted by changing the dimensions of the perturbation element, while the external-coupling level has been adjusted by changing one of the feeder dimensions. The design was arrived at via optimization. Agreeing simulation and measurement results of the designed and implemented filters showed good improvements in return loss values and the stability of the center frequency.

Keywords: Dual-mode resonators, perturbation element, perturbation theory, reconfigurable filters, software defined radio (SDR), cognitine radio.

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Authors: Kyoungjin Kim

Abstract:

Nanoscale thermites such as the composite mixture of nano-sized aluminum and molybdenum trioxide powders possess several technical advantages such as much higher reaction rate and shorter ignition delay, when compared to the conventional energetic formulations made of micron-sized metal and oxidizer particles. In this study, the self-propagation of combustion wave in compacted pellets of nanoscale thermite composites is modeled and computationally investigated by utilizing the activation energy reduction of aluminum particles due to nanoscale particle sizes. The present computational model predicts the speed of combustion wave propagation which is good agreement with the corresponding experiments of thermite reaction. Also, several characteristics of thermite reaction in nanoscale composites are discussed including the ignition delay and combustion wave structures.

Keywords: Nanoparticles, Thermite reaction, Combustion wave, Numerical modeling.

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Authors: Hazleen Anuar, Nur Aimi Mohd Nasir, Yousuf El-Shekeil

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Durian skin is a newly explores natural fibre potentially reinforced polyolefin for diverse applications. In this work, investigation on the effect of coupling agent, maleic anhydride polypropylene (MAPP) on the mechanical, morphological, and thermal properties of polypropylene (PP) reinforced with durian skin fibre (DSF) was conducted. The presence of 30 wt% DSF significantly reduced the tensile strength of PP-DSF composite. Interestingly, even though the same trend goes to PP-DSF with the presence of MAPP, the reduction is only about 4% relative to unreinforced PP and 18% higher than PP-DSF without MAPP (untreated composite or UTC). The used of MAPP in treated composite (TC) also increased the tensile modulus, flexural properties and degradation temperature. The enhanced mechanical properties are consistent with good interfacial interaction as evidenced under scanning electron microscopy.

Keywords: Durian skin fiber, coupling agent, mechanical properties, thermogravimetry analysis.

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Authors: Sung-Wook Shin, Sung-Taek Chung

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Hand grip strength has been utilized as an indicator to evaluate the motor ability of hands, responsible for performing multiple body functions. It is, however, difficult to evaluate other factors (other than hand muscular strength) utilizing the hand grip strength only. In this study, we analyzed the motor ability of hands using EMG and the hand grip strength, simultaneously in order to evaluate concentration, muscular strength reaction time, instantaneous muscular strength change, and agility in response to visual reaction. In results, the average time (and their standard deviations) of muscular strength reaction EMG signal and hand grip strength was found to be 209.6 ± 56.2 ms and 354.3 ± 54.6 ms, respectively. In addition, the onset time which represents acceleration time to reach 90% of maximum hand grip strength, was 382.9 ± 129.9 ms.

Keywords: Hand grip strength, EMG, visual reaction, endurance.

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Authors: Andrey V. Osipov, Sergey A. Kukushkin, Andrey V. Luk’yanov

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A method is developed for the solid-phase synthesis of epitaxial layers when the substrate itself is involved into a topochemical reaction and the reaction product grows in the interior of substrate layer. It opens up new possibilities for the relaxation of the elastic energy due to the attraction of point defects formed during the topochemical reaction in anisotropic media. The presented method of silicon carbide (SiC) formation employs a topochemical reaction between the single-crystalline silicon (Si) substrate and gaseous carbon monoxide (CO). The corresponding theory of interaction of point dilatation centers in anisotropic crystals is developed. It is eliminated that the most advantageous location of the point defects is the direction (111) in crystals with cubic symmetry. The single-crystal SiC films with the thickness up to 200 nm have been grown on Si (111) substrates owing to the topochemical reaction with CO. Grown high-quality single-crystal SiC films do not contain misfit dislocations despite the huge lattice mismatch value of ~20%. Also the possibility of growing of thick wide-gap semiconductor films on these templates SiC/Si(111) and, accordingly, its integration into Si electronics, is demonstrated. Finally, the ab initio theory of SiC formation due to the topochemical reaction has been developed.

Keywords: Epitaxy, silicon carbide, topochemical reaction, wide-bandgap semiconductors.

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Authors: Anil Kumar Pandey

Abstract:

Power plane noise is the most significant source of signal integrity (SI) issues in a high-speed digital design. In this paper, power integrity (PI) analysis of multiple power planes in a power delivery system of a 12-layer high-speed FPGA board is presented. All 10 power planes of HSD board are analyzed separately by using 3D Electromagnetic based PI solver, then the transient simulation is performed on combined PI data of all planes along with voltage regulator modules (VRMs) and 70 current drawing chips to get the board level power noise coupling on different high-speed signals. De-coupling capacitors are placed between power planes and ground to reduce power noise coupling with signals.

Keywords: Channel simulation, electromagnetic simulation, power-aware signal integrity analysis, power integrity, PIPro.

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Authors: Y. Kobayashi, T. Kurosaka, K. Yamamura, T. Yonezawa, K. Yamasaki

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The present work reports an effect of surface- modification of indium tin oxide (ITO) particles with chemicals on their electronic conductivity properties. Examined chemicals were polyvinyl alcohol (nonionic polymer), poly(diallyl dimethyl ammonium chloride) (cationic polymer), poly(sodium 4-styrene-sulfonate) (anionic polymer), (2-aminopropyl) trimethoxy silane (APMS) (silane coupling agent with amino group), and (3-mercaptopropyl) trimethoxy silane (MPS) (silane coupling agent with thiol group). For all the examined chemicals, volume resistivities of surface-modified ITO particles did not increase much when they were aged in air at 80 ^oC, compared to a volume resistivity of un-surface-modified ITO particles. Increases in volume resistivities of ITO particles surface-modified with the silane coupling agents were smaller than those with the polymers, since hydrolysis of the silane coupling agents and condensation of generated silanol and OH groups on ITO particles took place to provide efficient immobilization of them on particles. The APMS gave an increase in volume resistivity smaller than the MPS, since a larger solubility in water of APMS providing a larger amount of APMS immobilized on particles.

Keywords: Indium tin oxide, particles, surface-modification, volume resistivity.

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Authors: Hong-fang Ma, Cong-yi He, Hai-tao Zhang, Wei-yong Ying, Ding-ye Fang

Abstract:

A Ni-based catalyst supported by γ-Al₂O₃ was prepared by impregnation method, and the catalyst was used in a low CO and CO₂ concentration methanation system. The effect of temperature, pressure and space velocity on the methanation reaction was investigated in an experimental fixed-bed reactor. The methanation reaction was operated at the conditions of 190-240°C, 3000-24000ml•g^-1•h^-1 and 1.5-3.5MPa. The results show that temperature and space velocity play important role on the reaction. With the increase of reaction temperature the CO and CO₂ conversion increase and the selectivity of CH₄ increase. And with the increase of the space velocity the conversion of CO and CO₂ and the selectivity of CH₄ decrease sharply.

Keywords: Coke oven gas, methanation, catalyst, fixed-bed.

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Authors: Manfred Hartmann, Andreas Graef, Hannes Perko, Christoph Baumgartner, Tilmann Kluge

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In this paper we introduce a novel method for the characterization of synchronziation and coupling effects in multivariate time series that can be used for the analysis of EEG or ECoG signals recorded during epileptic seizures. The method allows to visualize the spatio-temporal evolution of synchronization and coupling effects that are characteristic for epileptic seizures. Similar to other methods proposed for this purpose our method is based on a regression analysis. However, a more general definition of the regression together with an effective channel selection procedure allows to use the method even for time series that are highly correlated, which is commonly the case in EEG/ECoG recordings with large numbers of electrodes. The method was experimentally tested on ECoG recordings of epileptic seizures from patients with temporal lobe epilepsies. A comparision with the results from a independent visual inspection by clinical experts showed an excellent agreement with the patterns obtained with the proposed method.

Keywords: EEG, epilepsy, regression analysis, seizurepropagation.

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Authors: Shigenori Togashi, Mitsuhiro Matsuzawa

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A pilot plant for continuous flow microwave-assisted chemical reaction combined with microreactors was developed and water heating tests were conducted for evaluation of the developed plant. We developed a microwave apparatus having a single microwave generator that can heat reaction solutions in four reaction fields simultaneously in order to increase throughput. We also designed a four-branch waveguide using electromagnetic simulation, and found that the transmission efficiency at 99%. Finally, we developed the pilot plant using the developed microwave apparatus and conducted water heating tests. The temperatures in the respective reaction fields were controlled within ±1.1 K at 353.2 K. Moreover, the energy absorption rates by the water were about 90% in the respective reaction fields, whereas the energy absorption rate was about 40% when 100 cm3 of water was heated by a commercially available multimode microwave chemical reactor.

Keywords: Microwave, Microreactor, Heating, Electromagnetic Simulation

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Authors: S. Mat Radzi, N. J. Abd Rahman, H. Mohd Noor, N. Ariffin

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Ferulic acid has widespread industrial potential by virtue of its antioxidant properties. However, it is partially soluble in aqueous media, limiting their usefulness in oil-based processes in food, cosmetic, pharmaceutical, and material industry. Therefore, modification of ferulic acid should be made by producing of more lipophilic derivatives. In this study, a preliminary investigation of lipase-catalyzed trans-esterification reaction of ethyl ferulate and olive oil was investigated. The reaction was catalyzed by immobilized lipase from Candida antarctica (Novozym 435), to produce ferulate ester, a sunscreen agent. A statistical approach of Response surface methodology (RSM) was used to evaluate the interactive effects of reaction temperature (40-80°C), reaction time (4-12 hours), and amount of enzyme (0.1-0.5 g). The optimum conditions derived via RSM were reaction temperature 60°C, reaction time 2.34 hours, and amount of enzyme 0.3 g. The actual experimental yield was 59.6% ferulate ester under optimum condition, which compared well to the maximum predicted value of 58.0%.

Keywords: Ferulic acid, Enzymatic Synthesis, Esters, RSM.

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Authors: R. Andreola, O. A. A. Santos, L. M. M, Jorge

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An industrial system for the production of white liquor of a paper industry, Klabin Paraná Papéis, formed by ten reactors was modeled, simulated, and analyzed. The developed model considered possible water losses by evaporation and reaction, in addition to variations in volumetric flow of lime mud across the reactors due to composition variations. The model predictions agreed well with the process measurements at the plant and the results showed that the slaking reaction is nearly complete at the third causticizing reactor, while causticizing ends by the seventh reactor. Water loss due to slaking reaction and evaporation occurs more pronouncedly in the slaking reaction than in the final causticizing reactors; nevertheless, the lime mud flow remains nearly constant across the reactors.

Keywords: Causticizing, lime, prediction, process.

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Authors: Yong H. Chung, Eun J. Han, Seil Lee, Sun Y. Park, Eun H. Yoon, Eun J. Cho, Jang H. Lee, Young J. Chu, Jang H. Ha, Jongseo Chai, Yu S. Kim, Min Y. Lee, Hyeyoung Lee

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Cross sections of As radionuclides in the interaction of natGe with 14-30 MeV protons have been deduced by off-line y-ray spectroscopy to find optimal reaction channels leading to radiotracers for positron emission tomography. The experimental results were compared with the previous results and those estimated by the compound nucleus reaction model.

Keywords: Compound nucleus reaction model, off-line g-ray spectroscopy, radionuclide.

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Authors: A.Seif, H.Aghaie, K.Majlesi

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A computational study at the level density functional theory (DFT) was carried out to investigate the influences of Si and C-doping on the 14N and 27Al quadrupole coupling constant in the (10, 0) zigzag single ? walled Aluminum-Nitride nanotube (AlNNT). To this aim, a 1.16nm, length of AlNNT consisting of 40 Al atoms and 40 N atoms were selected where the end atoms are capped by hydrogen atom. To follow the purpose, three Si atoms and three C atoms were doped instead of three Al atoms and three N atoms as a central ring in the surface of the Si and C-doped AlNNT. At first both of systems optimized at the level of BLYP method and 6-31G (d) basis set and after that, the NQR parameters were calculated at the level BLYP method and 6-311+G** basis set in two optimized forms. The calculate CQ values for both optimized AlNNT systems, raw and Si and C-doped, reveal different electronic environments in the mentioned systems. It was also demonstrated that the end nuclei have the largest CQ values in both considered AlNNT systems. All the calculations were carried out using Gaussian 98 package of program.

Keywords: DFT, Quadrupole Coupling Constant, Si and CDoping, Single-Walled AlN nanotubes.

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