Search results for: Alkali Silica Reaction

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: M. Amanipour, J. Towfighi, E. Ganji Babakhani, M. Heidari

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Cylindrical alumina microfiltration membrane (GMITM Corporation, inside diameter=9 mm, outside diameter=13 mm, length= 50 mm) with an average pore size of 0.5 micrometer and porosity of about 0.35 was used as the support for membrane reactor. This support was soaked in boehmite sols, and the mean particle size was adjusted in the range of 50 to 500 nm by carefully controlling hydrolysis time, and calcined at 650 °C for two hours. This process was repeated with different boehmite solutions in order to achieve an intermediate layer with an average pore size of about 50 nm. The resulting substrate was then coated with a thin and dense layer of silica by counter current chemical vapour deposition (CVD) method. A boehmite sol with 10 wt.% of nickel which was prepared by a standard procedure was used to make the catalytic layer. BET, SEM, and XRD analysis were used to characterize this layer. The catalytic membrane reactor was placed in an experimental setup to evaluate the permeation and hydrogen separation performance for a steam reforming reaction. The setup consisted of a tubular module in which the membrane was fixed, and the reforming reaction occurred at the inner side of the membrane. Methane stream, diluted with nitrogen, and deionized water with a steam to carbon (S/C) ratio of 3.0 entered the reactor after the reactor was heated up to 500 °C with a specified rate of 2 °C/ min and the catalytic layer was reduced at presence of hydrogen for 2.5 hours. Nitrogen flow was used as sweep gas through the outer side of the reactor. Any liquid produced was trapped and separated at reactor exit by a cold trap, and the produced gases were analyzed by an on-line gas chromatograph (Agilent 7890A) to measure total CH₄ conversion and H₂ permeation. BET analysis indicated uniform size distribution for catalyst with average pore size of 280 nm and average surface area of 275 m².g^-1. Single-component permeation tests were carried out for hydrogen, methane, and carbon dioxide at temperature range of 500-800 °C, and the results showed almost the same permeance and hydrogen selectivity values for hydrogen as the composite membrane without catalytic layer. Performance of the catalytic membrane was evaluated by applying membranes as a membrane reactor for methane steam reforming reaction at gas hourly space velocity (GHSV) of 10,000 h⁻¹ and 2 bar. CH₄ conversion increased from 50% to 85% with increasing reaction temperature from 600 °C to 750 °C, which is sufficiently above equilibrium curve at reaction conditions, but slightly lower than membrane reactor with packed nickel catalytic bed because of its higher surface area compared to the catalytic layer.

Keywords: Catalytic membrane, hydrogen, methane steam reforming, permeance.

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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: M.E.khosroshahi , M.S.Nourbakhsh

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Wet chemistry methods are used to prepare the SiO2/Au nanoshells. The purpose of this research was to synthesize gold coated SiO2 nanoshells for biomedical applications. Tunable nanoshells were prepared by using different colloidal concentrations. The nanoshells are characterized by FTIR, XRD, UV-Vis spectroscopy and atomic force microscopy (AFM). The FTIR results confirmed the functionalization of the surfaces of silica nanoparticles with NH2 terminal groups. A tunable absorption was observed between 470-600 nm with a maximum range of 530-560 nm. Based on the XRD results three main peaks of Au (111), (200) and (220) were identified. Also AFM results showed that the silica core diameter was about 100 nm and the thickness of gold shell about 10 nm.

Keywords: Gold nanoshells, Synthesis, UV-vis spectroscopy, XRD, AFM

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Authors: M. Sari Yilmaz, N. Karamahmut Mermer

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Coal fly ash is formed as a solid waste product from the combustion of coal in coal fired power stations. Huge amounts of fly ash are produced globally every year and are predicted to increase. Nowadays, less than half of the fly ash is used as a raw material for cement manufacturing, construction and the rest of it is disposed as a waste causing yet another environmental concern. For this reason, the recycling of this kind of slurries into useful materials is quite important in terms of economical and environmental aspects. The purpose of this study is to evaluate the Orhaneli and Tuncbilek coal fly ashes for utilization in some industrial applications. Therefore the mineralogical and chemical compositions of these fly ashes were analyzed by X-ray fluorescence spectroscopy, ourier-transform infrared spectrometer, and X-ray diffraction. The silicon (Si) and aluminum (Al) in the fly ashes were activated by alkali fusion technique with sodium hydroxide. The obtained extracts were analyzed for Si and Al content by inductively coupled plasma optical emission spectrometry.

Keywords: Extraction, Fly ash, Fusion, XRD.

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Authors: Sperisa Distantina, Wiratni , Moh. Fahrurrozi, Rochmadi

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The effect of extraction solvent upon properties of carrageenan from Eucheuma cottonii was studied. The distilled water and KOH solution (concentration 0.1- 0.5N) were used as the solvent. Extraction process was carried out in water bath equipped by stirrer with constant speed of 275 rpm with a constant ratio of seaweed weight to solvent volume ( 1:50 g/mL) at 86oC for 45 minutes. The extract was then precipitated in 3 volume of 90% ethanol, oven dried at 60oC. Based on experimental data, alkali significantly influenced yield and properties of extracted carrageenan. The extracted carrageenan was found to have essentially identical FTIR spectra to the reference samples of kappa-carrageenan. Increasing the KOH concentration led to carrageenan containing less sulfate content and intrinsic viscosity. The gel strength increased along with the increasing of KOH concentration. The decreasing of intrinsic viscosity value indicates that a polymer degradation occurs during alkali extraction.

Keywords: gel strength, sulfate, intrinsic viscosity, Eucheumacottonii

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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: Naser Sabaghnia, Mohsen Janmohammadi, Mehdi Mohebodini

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Present investigation is performed to evaluate the effects of foliar application of salicylic acid, glycine betaine, ascorbic acid, nano-silica, and nano-titanium dioxide on sunflower. Results showed that the first two principal components were sufficient to create a two-dimensional treatment by trait biplot, and such biplot accounted percentages of 49% and 19%, respectively of the interaction between traits and treatments. The vertex treatments of polygon were ascorbic acid, glycine betaine, nano-TiO₂, and control indicated that high performance in some important traits consists of number of days to seed maturity, number of seeds per head, number heads per single plant, hundred seed weight, seed length, seed yield performance, and oil content. Treatments suitable for obtaining the high seed yield were identified in the vector-view function of biplot and displayed nano-silica and nano titanium dioxide as the best treatments suitable for obtaining of high seed yield.

Keywords: Drought stress, nano-silicon dioxide, oil content, TiO2 nanoparticles.

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

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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: Shigenori Togashi, Mitsuhiro Matsuzawa

Abstract:

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: Salem Alsanusi

Abstract:

A self-compacting concrete (SCC) is the one that can be placed in the form and can go through obstructions by its own weight and without the need of vibration. Since its first development in Japan in 1988, SCC has gained wider acceptance in Japan, Europe and USA due to its inherent distinct advantages. Although there are visible signs of its gradual acceptance in the North Africa through its limited use in construction, Libya has yet to explore the feasibility and applicability of SCC in new construction. The contributing factors to this reluctance appear to be lack of any supportive evidence of its suitability with local aggregates and the harsh environmental conditions. The primary aim of this study is to explore the feasibility of using SCC made with local aggregates of Eastern Province of Libya by examining its basic properties characteristics. This research consists of: (i) Development of a suitable mix for SCC such as the effect of water to cement ratio, limestone and silica fume that would satisfy the requirements of the plastic state; (ii) Casting of concrete samples and testing them for compressive strength and unit weight. Local aggregates, cement, admixtures and industrial waste materials were used in this research. The significance of this research lies in its attempt to provide some performance data of SCC made in the Eastern Province of Libya so as to draw attention to the possible use of SCC.

Keywords: Silica fume, self compacting concrete, workability, coarse and fine aggregate.

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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: F.H. Liu, S.H. Chen, R.T. Lee, W.S. Lin, Y.S. Liao

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This paper describes a rapid prototyping (RP) technology for forming a hydroxyapatite (HA) bone scaffold model. The HA powder and a silica sol are mixed into bioceramic slurry form under a suitable viscosity. The HA particles are embedded in the solidified silica matrix to form green parts via a wide range of process parameters after processing by selective laser sintering (SLS). The results indicate that the proposed process was possible to fabricate multilayers and hollow shell structure with brittle property but sufficient integrity for handling prior to post-processing. The fabricated bone scaffold models had a surface finish of 25

Keywords: bioceramic, bone scaffold, rapid prototyping, selective laser sintering

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Authors: Ibtissem Gammoudi, Ndeye Rokhaya Faye, Fabien Moroté, Daniel Moynet, Christine Grauby-Heywang, Touria Cohen-Bouhacina

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The objective of the present investigation was to evaluate the morphology of Escherchia coli bacteria in interaction with SiO2 nanoparticles. This study was made by atomic force microscopy and quartz crystal microbalance using SiO2 nanoparticles with 10nm, 50nm and 100nm diameter and bacteria immobilized on polyelectrolyte multilayer films obtained by spin coating or by “layer by layer” (LbL) method.

Keywords: Atomic Force Microscopy, Escherichia coli, Quartz Crystal Microbalance, polyelectrolyte, silica nanoparticle.

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Authors: Mostafa Osman, Ata El-kareim Shoeib

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The main objective of this paper is study the influence of carbon nano-tubes fibers and nano silica fibers on the characteristic compressive strength and flexural strength on concrete and cement mortar. Twelve tested specimens were tested with square section its dimensions (4040 160) mm, divided into four groups. The first and second group studied the effect of carbon nano-tubes (CNTs) fibers with different percentage equal to 0.0, 0.11%, 0.22%, and 0.33% by weight of cement and effect of nano-silica (nS) fibers with different percentages equal to 0.0, 1.0%, 2.0%, and 3.0% by weight of cement on the cement mortar. The third and fourth groups studied the effect of CNTs fiber with different percentage equal to 0.0%, 0.11%, and 0.22% by weight of cement, and effect of nS fibers with different percentages were equal to 0.0%, 1.0%, and 2.0% by weight of cement on the concrete. The compressive strength and flexural strength at 7, 28, and 90 days is determined. From analysis of tested results concluded that the nano-fibers is more effective when used with cement mortar more than used with concrete because of increasing the surface area, decreasing the pore and the collection of nano-fibers. And also by adding nano-fibers the improvement of flexural strength of concrete and cement mortar is more than improvement of compressive strength.

Keywords: Carbon nano-tubes fibers, nano-silica (nS) fibers, compressive strength, flexural.

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Authors: Velid Demir, Mesut Akgün

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The lanthanum and zinc oxide were synthesized and then loaded with 6 wt% over γ-Al2O3 using the wet impregnation method. The samples were calcined at 900 °C to ensure a coherent structure with high catalytic performance. Characterization of the catalysts was verified by X-ray diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR). The effect of catalysts on biodiesel content from jatropha oil was studied under supercritical conditions. The results showed that ZnO/γ-Al2O3 was the superior catalyst for jatropha oil with 98.05% biodiesel under reaction conditions of 7 min reaction time, 1:40 oil to methanol molar ratio, 6 wt% of catalyst loading, 90 bar of reaction pressure, and 300 °C of reaction temperature, compared to 95.50% with La2O3/γ-Al2O3 at the same parameters. For this study, ZnO/γ-Al2O3 was the most suitable catalyst due to performance and cost considerations.

Keywords: Biodiesel, heterogeneous catalyst, Jatropha oil, supercritical methanol, transesterification.

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Authors: Flora Elvistia Firdaus

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Polyurethane foam (PUF) were prepared by reacting polyols synthesized from soy-oil into mixture of 2,4- Toluene diisocyanate (TDI) with 4,4--Methylene Diamine Isocyanate (MDI) with ratio of 70:30. The polyols obtained via esterification reaction were categorize into different temperature of reaction and by used of varied concentration of phosphoric acid catalyst. The purpose of catalysts is to shifting selectivity to a desired and value added of product. The effect of stoichiometric balance (molar ratio of epoxide/ethylene glycol) to the concentration of the catalyst on the final properties was evaluated.

Keywords: temperature, phosphate, soy polyurethane

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Authors: Iuliia Zarubiieva, Joyun Tseng, Vishwesh Kulkarni

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Recent researches has focused on nucleic acids as a substrate for designing biomolecular circuits for in situ monitoring and control. A common approach is to express them by a set of idealised abstract chemical reaction networks (ACRNs). Here, we present new results on how abstract chemical reactions, viz., catalysis, annihilation and degradation, can be used to implement circuit that accurately computes logarithm function using the method of Arithmetic-Geometric Mean (AGM), which has not been previously used in conjunction with ACRNs.

Keywords: Abstract chemical reaction network, DNA strand displacement, natural logarithm.

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Authors: Chandrashekar, R. T. Radhika, B. M. Venkatesha, S. Ananda, Shivalingegowda, T. S. Shashikumar, H. Ramachandra

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The kinetics of the oxidation of amitriptyline (AT) by sodium N-bromotoluene sulphonamide (C₆H₅SO₂NBrNa) has been studied in an acidic buffer medium of pH 1.2 at 303 K. The oxidation reaction of AT was followed spectrophotometrically at maximum wavelength, 410 nm. The reaction rate shows a first order dependence each on concentration of AT and concentration of sodium N-bromotoluene sulphonamide. The reaction also shows an inverse fractional order dependence at low or high concentration of HCl. The dielectric constant of the solvent shows negative effect on the rate of reaction. The addition of halide ions and the reduction product of BAT have no significant effect on the rate. The rate is unchanged with the variation in the ionic strength (NaClO₄) of the medium. Addition of reaction mixtures to be aqueous acrylamide solution did not initiate polymerization, indicating the absence of free radical species. The stoichiometry of the reaction was found to be 1:1 and oxidation product of AT is identified. The Michaelis-Menton type of kinetics has been proposed. The CH₃C₆H₅SO₂NHBr has been assumed to be the reactive oxidizing species. Thermodynamical parameters were computed by studying the reactions at different temperatures. A mechanism consistent with observed kinetics is presented.

Keywords: Amitriptyline, bromamine-T, kinetics, oxidation.

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Authors: Ergin Kosa, Ali Göksenli

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Erosion and abrasion are wear mechanisms reducing the lifetime of machine elements like valves, pump and pipe systems. Both wear mechanisms are acting at the same time, causing a “Synergy” effect, which leads to a rapid damage of the surface. Different parameters are effective on erosive abrasive wear rate. In this study effect of particle impact angle on wear rate and wear mechanism of ductile and brittle materials was investigated. A new slurry pot was designed for experimental investigation. As abrasive particle, silica sand was used. Particle size was ranking between 200- 500 μm. All tests were carried out in a sand-water mixture of 20% concentration for four hours. Impact velocities of the particles were 4.76 m/s. As ductile material steel St 37 with Vickers Hardness Number (VHN) of 245 and quenched St 37 with 510 VHN was used as brittle material. After wear tests, morphology of the eroded surfaces were investigated for better understanding of the wear mechanisms acting at different impact angles by using Scanning Electron Microscope. The results indicated that wear rate of ductile material was higher than brittle material. Maximum wear rate was observed by ductile material at a particle impact angle of 300 and decreased further by an increase in attack angle. Maximum wear rate by brittle materials was by impact angle of 450 and decreased further up to 900. Ploughing was the dominant wear mechanism by ductile material. Microcracks on the surface were detected by ductile materials, which are nucleation centers for crater formation. Number of craters decreased and depth of craters increased by ductile materials by attack angle higher than 300. Deformation wear mechanism was observed by brittle materials. Number and depth of pits decreased by brittle materials by impact angles higher than 450. At the end it is concluded that wear rate could not be directly related to impact angle of particles due to the different reaction of ductile and brittle materials.

Keywords: Erosive wear, particle impact angle, silica sand, wear rate, ductile-brittle material.

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Authors: Paola Lecca, Lorenzo Dematte

Abstract:

Reactiondiffusion systems are mathematical models that describe how the concentration of one or more substances distributed in space changes under the influence of local chemical reactions in which the substances are converted into each other, and diffusion which causes the substances to spread out in space. The classical representation of a reaction-diffusion system is given by semi-linear parabolic partial differential equations, whose general form is ÔêétX(x, t) = DΔX(x, t), where X(x, t) is the state vector, D is the matrix of the diffusion coefficients and Δ is the Laplace operator. If the solute move in an homogeneous system in thermal equilibrium, the diffusion coefficients are constants that do not depend on the local concentration of solvent and of solutes and on local temperature of the medium. In this paper a new stochastic reaction-diffusion model in which the diffusion coefficients are function of the local concentration, viscosity and frictional forces of solvent and solute is presented. Such a model provides a more realistic description of the molecular kinetics in non-homogenoeus and highly structured media as the intra- and inter-cellular spaces. The movement of a molecule A from a region i to a region j of the space is described as a first order reaction Ai k- → Aj , where the rate constant k depends on the diffusion coefficient. Representing the diffusional motion as a chemical reaction allows to assimilate a reaction-diffusion system to a pure reaction system and to simulate it with Gillespie-inspired stochastic simulation algorithms. 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 specific speed of reaction and diffusion events. Redi is the software tool, developed to implement the model of reaction-diffusion kinetics and dynamics. It is a free software, that can be downloaded from http://www.cosbi.eu. To demonstrate the validity of the new reaction-diffusion model, the simulation results of the chaperone-assisted protein folding in cytoplasm obtained with Redi are reported. This case study is redrawing the attention of the scientific community due to current interests on protein aggregation as a potential cause for neurodegenerative diseases.

Keywords: Reaction-diffusion systems, Fick's law, stochastic simulation algorithm.

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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.

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Authors: Benedek Kovacs, Janos Toth

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Solutions are proposed for the central problem of estimating the reaction rate coefficients in homogeneous kinetics. The first is based upon the fact that the right hand side of a kinetic differential equation is linear in the rate constants, whereas the second one uses the technique of neural networks. This second one is discussed deeply and its advantages, disadvantages and conditions of applicability are analyzed in the mirror of the first one. Numerical analysis carried out on practical models using simulated data, and our programs written in Mathematica.

Keywords: Neural networks, parameter estimation, linear regression, kinetic models, reaction rate coefficients.

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Authors: Dogan Ciloglu, Abdurrahim Bolukbasi, Harun Cifci

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In this study, the experiments were carried out to determine the best coolant for the quenching process among waterbased silica, alumina, titania and copper oxide nanofluids (0.1 vol%). A sphere made up off brass material was used in the experiments. When the spherical test specimen was heated at high temperatures, it was suddenly immersed into the nanofluids. All experiments were carried out at saturated conditions and under atmospheric pressure. After the experiments, the cooling curves were obtained by using the temperature-time data of the specimen. The experimental results showed that the cooling performance of test specimen depended on the type of nanofluids. The silica nanoparticles enhanced the performance of boiling heat transfer and it is the best coolant for the quenching among other nanoparticles.

Keywords: Heat transfer, nanofluid, pool boiling, quenching.

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Authors: T. G. Emam

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The effect of variable chemical reaction on heat and mass transfer characteristics over unsteady stretching surface embedded in a porus medium is studied. The governing time dependent boundary layer equations are transformed into ordinary differential equations containing chemical reaction parameter, unsteadiness parameter, Prandtl number and Schmidt number. These equations have been transformed into a system of first order differential equations. MATHEMATICA has been used to solve this system after obtaining the missed initial conditions. The velocity gradient, temperature, and concentration profiles are computed and discussed in details for various values of the different parameters.

Keywords: Heat and mass transfer, stretching surface, chemical reaction, porus medium.

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Authors: Jyh J. Chen, Fu H. Yang, Ming H. Liao

Abstract:

This study describes a capillary-based device integrated with the heating and cooling modules for polymerase chain reaction (PCR). The device consists of the reaction polytetrafluoroethylene (PTFE) capillary, the aluminum blocks, and is equipped with two cartridge heaters, a thermoelectric (TE) cooler, a fan, and some thermocouples for temperature control. The cartridge heaters are placed into the heating blocks and maintained at two different temperatures to achieve the denaturation and the extension step. Some thermocouples inserted into the capillary are used to obtain the transient temperature profiles of the reaction sample during thermal cycles. A 483-bp DNA template is amplified successfully in the designed system and the traditional thermal cycler. This work should be interesting to persons involved in the high-temperature based reactions and genomics or cell analysis.

Keywords: Polymerase chain reaction, thermal cycles, capillary, TE cooler.

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Authors: Malee Santikunaporn, Neera Wongtyanuwat, Channarong Asavatesanupap

Abstract:

Pyrolysis of waste oil is an effective process to produce high quality liquid fuels. In this work, pyrolysis experiments of waste oil over Y zeolite were carried out in a semi-batch reactor under a flow of nitrogen at atmospheric pressure and at different reaction temperatures (350-450 ^oC). The products were gas, liquid fuel, and residue. Only liquid fuel was further characterized for its composition and properties by using gas chromatography, thermogravimetric analyzer, and bomb calorimeter. Experimental results indicated that the pyrolysis reaction temperature significantly affected both yield and composition distribution of pyrolysis oil. An increase in reaction temperature resulted in increased fuel yield, especially gasoline fraction. To obtain high amount of fuel, the optimal reaction temperature should be higher than 350 ^oC. A presence of Y zeolite in the system enhanced the cracking activity. In addition, the pyrolysis oil yield is proportional to the catalyst quantity.

Keywords: Waste oil, pyrolysis oil, Y zeolite, gasoline, diesel.

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