932 resultados para Chemical reaction


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In this paper, for the first time, we have reported the novel synthesis of reduced graphene oxide (r-GO) dendrite kind of nanomaterial. The proposed r-GO dendrite possesses multifunctional properties in various fields of sensing and separation. The dendrite was synthesized by chemical reaction in different steps. Initially, the r-GO sheet was conjugated with silane group modified magnetic nanoparticle, resulting in nanoparticle decorated r-GO. The above r-GO sheet was further reacted with a new r-GO sheet, resulting in the formation of r-GO dendrite type of structure. Multifunctional behavior of this r-GO dendrite structure was studied by different methods. First, magnetic properties were studied by vibrating sample magnetometer (VSM) and it was found that dendrite structure shows good magnetic susceptibility (180.2 emu/g). The proposed r-GO dendrite also shows a very good antibacterial behavior for Escherichia coli and excellent electrochemical behavior towards ferrocyanide probe molecule. Along with these, it also acts as a substrate for the synthesis of molecularly imprinted polymer for europium metal ion, a lanthanide. The proposed imprinted sensor shows a very high selectivity and sensitivity for europium metal ion (limit of detection= 0.019 mu g L-1) in aqueous as well as real samples. (C) 2015 Elsevier B.V. All rights reserved.

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For the flame spread over thermally thin combustibles in an atmosphere, if the atmosphere cannot emit and absorb the thermal radiation (e.g. for atmosphere Of O-2-N-2), the conductive heat transfer from the flame to the fuel surface dominates the flame spread at lower ambient atmosphere. As the ambient pressure increases, the flame spread rate increases, and the radiant heat transfer from the flame to the fuel surface gradually becomes the dominant driving force for the flame spread. In contrast, if the atmosphere is able to emit and absorb the thermal radiation (e.g. for atmosphere Of O-2-CO2), at lower pressure, the heat transfer from flame to the fuel surface is enhanced by the radiation reabsorption of the atmosphere at the leading edge of the flame, and both conduction and thermal radiation play important roles in the mechanism of flame spread. With the increase in ambient pressure, the oxygen diffuses more quickly from ambient atmosphere into the flame, the chemical reaction in the flame is enhanced, and the flame spread rate increases. When the ambient pressure is greater than a critical value, the thermal radiation from the flame to the solid surface is hampered by the radiation reabsorption of ambient atmosphere with the further increase in ambient pressure. As a result, with the increase in ambient pressure, the flame spread rate decreases and the heat conduction gradually dominates the flame spread over the fuel surface.

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应用基元反应模型和频散可控耗散格式(DCD)对氢氧爆轰波在楔面反射进行了数值模拟.计算中氢氧混合物的化学反应采用了8种组分20个反应方程式.在处理化学反应引起的刚性问题时采用了时间算子分裂的方法.模拟了爆轰波在楔面反射由马赫反射向规则反射转变的过程,得到了反射转变临界角,同时考虑了初始压力和组分的影响,并和实验及理论分析结果进行了比较,结果是令人满意的.

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The spherically converging detonation wave was numerically investigated by solving the one-dimensional multi-component Euler equations in spherical coordinates with a dispersion-controlled dissipative scheme. Finite rate and detailed chemical reaction models were used and numerical solutions were obtained for both a spherical by converging detonation in a stoichiometric hydrogen-oxygen mixture and a spherically focusing shock in air. The results showed that the post-shock pressure approximately arises to the same amplitude in vicinity of the focal point for the two cases, but the post-shock temperature level mainly depends on chemical reactions and molecular dissociations of a gas mixture. While the chemical reaction heat plays an important role in the early stage of detonation wave propagation, gas dissociations dramatically affect the post-shock flow states near the focal point. The maximum pressure and temperature, non-dimensionalized by their initial value, are approximately scaled to the propagation radius over the initial detonation diameter. The post-shock pressure is proportional to the initial pressure of the detonable mixture, and the post-shock temperature is also increased with the initial pressure, but in a much lower rate than that of the post-shock pressure.

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In this paper, the cellular structure of a two-dimensional detonation wave in a low pressure H2/O2/Ar mixture calculated with a detailed chemical reaction model, high order scheme and high resolution grids is investigated. The regular cellular structure is produced about 1 ms after introducing perturbations in the reaction zone of a steady one-dimensional detonation wave. It is found from the present resolution study that the discrepancies concerning the structure type arising from the coarser grid employed can be resolved using a sufficiently fine grid size of 0.05 mm and below and shows a double-Mach-like strong-type configuration. During the structure evolution process, the structure configuration does not change much in the periods before and after the triple point collision. Through the triple point collision, three regular collision processes are observed and are followed by a quick change to the double-Mach-like configuration. The simulated structure tracks show that there are three different tracks associated with different triple points or the kink on the transverse wave. Comparisons with previous work and experiments indicate the presence of a strong structure for an ordinary detonation.

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This paper reports on two-dimensional numerical simulation of cellular detonation wave in a / / mixture with low initial pressure using a detailed chemical reaction model and high order WENO scheme. Before the final equilibrium structure is produced, a fairly regular but still non-equilibrium mode is observed during the early stage of structure formation process. The numerically tracked detonation cells show that the cell size always adapts to the channel height such that the cell ratio is fairly independent of the grid sizes and initial and boundary conditions. During the structural evolution in a detonation cell, even as the simulated detonation wave characteristics suggest the presence of an ordinary detonation, the evolving instantaneous detonation state indicates a mainly underdriven state. As a considerable region of the gas mixture in a cell is observed to be ignited by the incident wave and transverse wave, it is further suggested that these two said waves play an essential role in the detonation propagation.

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We present a good alternative method to improve the tribological properties of polymer films by chemisorbing a long-chain monolayer on the functional polymer surface. Thus, a novel self-assembled monolayer is successfully prepared on a silicon substrate coated with amino-group-containing polyethyleneimine (PEI) by the chemical adsorption of stearic acid (STA) molecules. The formation and structure of the STA-PEI film are characterized by means of contact-angle measurement and ellipsometric thickness measurement, and of Fourier transformation infrared spectrometric and atomic force microscopic analyses. The micro- and macro-tribological properties of the STA-PEI film are investigated on an atomic force microscope (AFM) and a unidirectional tribometer, respectively. It has been found that the STA monolayer about 2.1-nm thick is produced on the PEI coating by the chemical reaction between the amino groups in the PEI and the carboxyl group in the STA molecules to form a covalent amide bond in the presence of N,N'-dicyclohexylcarbodiimide (DCCD) as a dehydrating regent. By introducing the STA monolayer, the hydrophilic PEI polymer surface becomes hydrophobic with a water contact angle to be about 105degrees. Study of the time dependence of the film formation shows that the adsorption of PEI is fast, whereas at least 24 h is needed to generate the saturated STA monolayer. Whereas the PEI coating has relatively high adhesion, friction, and poor anti-wear ability, the STA-PEI film possesses good adhesive resistance and high load-carrying capacity and anti-wear ability, which could be attributed to the chemical structure of the STA-PEI thin film. It is assumed that the hydrogen bonds between the molecules of the STA-PEI film act to stabilize the film and can be restored after breaking during sliding. Thus, the self-assembled STA-PEI thin film might find promising application in the lubrication of micro-electromechanical systems (MEMS).

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Strong velocity fluctuations had been found in the laminar premixed V-flames. These velocity fluctuations are closely related to the chemical reaction. But the effects of the upstream combustible mixture velocity on the velocity fluctuations inside the flame are quite weak. The probability distribution function (PDF) of the velocity in the centre region of the flame appears "flat top" shaped. By analyzing the experiment results the flame-flow interactions are found to affect the flame not only at large scale in the flow field but also at small scale inside the flame. These effects will give rise to flame generated small scale turbulences.

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应用基元反应模型和频散可控耗散格式(DCD)对氢氧爆轰波在弯管内的传播过程进行了数值模拟.计算中氢氧混合物化学反应采用了8种组分20个反应方程式.在处理化学反应引起的刚性问题时采用了时间算子分裂的方法.计算结果表明,在弯管小曲率半径壁面附近,由于膨胀稀疏作用,爆轰波强度减弱,在局部出现前导激波与放热反应区的解藕以及二次起爆现象;在弯管大曲率半径壁面上爆轰波在马赫反射和正规反射之间相互转变,使爆轰波加强.弯管内的爆轰现象与弯管曲率半径有关.

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Coatings of TiCp reinforced composite have been produced by laser cladding. Two kinds of coating with different TiCp origins were investigated, i.e. undissolved TiCp and in situ TiCp. For undissolved TiCp, epitaxial growth of TiC, precipitation of CrB, and a chemical reaction occur at phase interfaces, and nanoindentation loading curves show pop in marks caused by the plastic deformation associated with crack formation or debonding of TiCp from the matrix. As for in situ TiCp, no pop in mark appears. Meanwhile, in situ TiCp produces hardness and elastic modulus values that are higher than those produced by the coating that contains undissolved TiCp.

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应用频散可控格式和基元反应模型计算了氢气-氧气和氢气-空气混合物的爆轰波一维结构,并对爆轰波在二维轴对称突扩截面管内的传播过程进行了数值模拟。采用算子分裂的方法来处理化学反应的刚性问题。计算结果表明,频散可控格式可以精确捕捉爆轰波及其反射过程。爆轰波在突扩截面处绕射,由于稀疏波的作用而引起局部熄爆现象。数值结果还反应出,在一定条件下,熄爆区域可以二次起爆,而且二次起爆过程与可燃混合气体的敏感度有关,对于敏感度高的可燃气体,由于爆轰波具有较强的自持能力,其波阵面在绕射过程中所产生的局部熄爆区后会自动再次起爆

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Titanium carbide particle (TiCp) reinforced Ni alloy composite coatings were synthesized by laser cladding using a cw 3 kW CO2 laser. Two kinds of coatings were present in terms of TiCp origins, i.e. undissolved and in situ reacted TiCp, respectively. The former came from the TiCp pre-coated on the sample, whereas the latter from in situ reaction between titanium and graphite in the molten pool during laser irradiation. Conventional and high-resolution transmission electron microscope observations showed the epitaxial growth of TiC, the precipitation of CrB, and the chemical reaction between Ti and B elements around phase interfaces of undissolved TiCp. The hardness, H, and elastic modulus, E, were measured by nanoindentation of the matrix near the TiCp interface. For undissolved TiCp, the loading curve revealed pop-in phenomena caused by the plastic deformation of the crack formation or debounding of TiCp from the matrix. As for in situ generated TiCp, no pop-in mark appears. On the other hand, in situ reacted TiCp led to much higher hardness and modulus than that in the case of undissolved TiCp. The coating reinforced by in situ generated TiCp displayed the highest impact wear resistance at both low and high impact conditions, as compared with coatings with undissolved TiCp and without TiCp. The impact wear resistance of the coating reinforced by undissolved TiCp increases at a low impact work but decreases at a high impact work, as compared with the single Ni alloy coating. The degree of wear for the composite coating depends primarily on the debonding removal of TiCp.

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Nano-sized TiNi powder with an average size of 50nm was consolidated using spark plasma sintering (SPS) at 800 °C for 5min. A layer of anatase TiO 2 coating was formed on the sintered TiNi by chemical reaction with a hydrogen peroxide (H2O2) solution at 60 °C followed by heat treatment at 400 °C to enhance the bioactivity of the metal surface. Cell culture using osteoblast cells and a biomimetic test in simulated body fluid proved the biocompatibility of the chemically treated SPS TiNi. © IOP Publishing Ltd.

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采用基元反应模型和高精度的ENO格式对气相爆轰进行数值研究,对H2/O2/Ar混合气体起爆和爆轰波传播过程的数值模拟结果表明,计算的爆轰波阵面参数和实验相当符合。数值研究的结果还表明,爆轰波反应区中参与反应的不同组分具有不同类型的变化特征。计算结果的精度随着网格尺寸增加而增加,并能保持较好的收敛性。

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An improved two-dimensional space-time conservation element and solution element ( CE/ SE) method with second-order accuracy is proposed, examined and extended to simulate the detonation propagations using detailed chemical reaction models. The numerical results of planar and cellular detonation are compared with corresponding results by the Chapman-Jouguet theory and experiments, and prove that the method is a new reliable way for numerical simulations of detonation propagation.