International Science Index
International Journal of Chemical, Molecular, Nuclear, Materials and Metallurgical Engineering
Simulated Annealing Application for Structural Optimization
Several methods are available for weight and shape
optimization of structures, among which Evolutionary Structural
Optimization (ESO) is one of the most widely used methods. In ESO,
however, the optimization criterion is completely case-dependent.
Moreover, only the improving solutions are accepted during the
search. In this paper a Simulated Annealing (SA) algorithm is used
for structural optimization problem. This algorithm differs from other
random search methods by accepting non-improving solutions. The
implementation of SA algorithm is done through reducing the
number of finite element analyses (function evaluations).
Computational results show that SA can efficiently and effectively
solve such optimization problems within short search time.
Magnetization of Thin-Film Permalloy Ellipses used for Programmable Motion of Magnetic Particles
Simulations of magnetic microstructure in elliptical
Permalloy elements used for controlled motion of magnetic particles
are discussed. The saturating field of the elliptical elements was
studied with respect to lateral dimensions for one-vortex, cross-tie,
diamond and double-diamond states as initial zero-field domain
configurations. With aspect ratio of 1:3 the short axis was varied
from 125 nm to 1000 nm, whereas the thickness was kept constant at
The Concentration Effects for the Adsorption Behavior of Heptyl Viologen Cation Radicals on Indium-Tin-Oxide Electrode Surfaces
In situ observation of absorption spectral change of
heptil viologen cation radical (HV+.) was performed by slab optical
waveguide (SOWG) spectroscopy utilizing indium-tin-oxide (ITO)
electrodes. Synchronizing with electrochemical techniques, we
observed the adsorption process of HV+.on the ITO electrode. In this
study, we carried out the ITO-SOWG observations using KBr aqueous
solution containing different concentration of HV to investigate the
concentration dependent spectral change. A few specific absorption
bands, which indicated HV+.existed as both monomer and dimer on
ITO electrode surface with a monolayer or a few layers deposition,
were observed in UV-visible region. The change in the peak position
of the absorption spectra from adsorption species of HV+. were
correlated with the concentration of HV as well as the electrode
Application of Exact String Matching Algorithms towards SMILES Representation of Chemical Structure
Bioinformatics and Cheminformatics use computer as disciplines providing tools for acquisition, storage, processing, analysis, integrate data and for the development of potential applications of biological and chemical data. A chemical database is one of the databases that exclusively designed to store chemical information. NMRShiftDB is one of the main databases that used to represent the chemical structures in 2D or 3D structures. SMILES format is one of many ways to write a chemical structure in a linear format. In this study we extracted Antimicrobial Structures in SMILES format from NMRShiftDB and stored it in our Local Data Warehouse with its corresponding information. Additionally, we developed a searching tool that would response to user-s query using the JME Editor tool that allows user to draw or edit molecules and converts the drawn structure into SMILES format. We applied Quick Search algorithm to search for Antimicrobial Structures in our Local Data Ware House.
Influence of Textured Clusters on the Goss Grains Growth in Silicon Steels Consideration of Energy and Mobility
In the Fe-3%Si sheets, grade Hi-B, with AlN and MnS
as inhibitors, the Goss grains which abnormally grow do not have a
size greater than the average size of the primary matrix. In this
heterogeneous microstructure, the size factor is not a required
condition for the secondary recrystallization. The onset of the small
Goss grain abnormal growth appears to be related to a particular
behavior of their grain boundaries, to the local texture and to the
distribution of the inhibitors. The presence and the evolution of
oriented clusters ensure to the small Goss grains a favorable
neighborhood to grow. The modified Monte-Carlo approach, which
is applied, considers the local environment of each grain. The grain
growth is dependent of its real spatial position; the matrix
heterogeneity is then taken into account. The grain growth conditions
are considered in the global matrix and in different matrixes
corresponding to A component clusters. The grain growth behaviour
is considered with introduction of energy only, energy and mobility,
energy and mobility and precipitates.
Response Surface Based Optimization of Toughness of Hybrid Polyamide 6 Nanocomposites
Toughening of polyamide 6 (PA6)/ Nanoclay (NC) nanocomposites with styrene-ethylene/butadiene-styrene copolymer (SEBS) using maleated styrene-ethylene/butadiene-styrene copolymer (mSEBS)/ as a compatibilizer were investigated by blending them in a co-rotating twin-screw extruder. Response surface method of experimental design was used for optimizing the material and processing parameters. Effect of four factors, including SEBS, mSEBS and NC contents as material variables and order of mixing as a processing factor, on toughness of hybrid nanocomposites were studied. All the prepared samples showed ductile behavior and low temperature Izod impact toughness of some of the hybrid nanocomposites demonstrated 900% improvement compared to the PA6 matrix while the modulus showed maximum enhancement of 20% compared to the pristine PA6 resin.
Simulation Study of Radial Heat and Mass Transfer Inside a Fixed Bed Catalytic Reactor
A rigorous two-dimensional model is developed for simulating the operation of a less-investigated type steam reformer having a considerably lower operating Reynolds number, higher tube diameter, and non-availability of extra steam in the feed compared with conventional steam reformers. Simulation results show that reasonable predictions can only be achieved when certain correlations for wall to fluid heat transfer equations are applied. Due to severe operating conditions, in all cases, strong radial temperature gradients inside the reformer tubes have been found. Furthermore, the results show how a certain catalyst loading profile will affect the operation of the reformer.
Preparation and Characterisation of Chemically Activated Almond Shells by Optimization of Adsorption Parameters for Removal of Chromium VI from Aqueous Solutions
Activated carbon was prepared from agricultural waste “almond (Prunus amygdalus) nut shells" by chemical activation with phosphoric acid as an activating agent at 450 °C for 24 hr soaking time. The physical and chemical properties were analyzed. The adsorption of chromium VI from aqueous solution on almond nut shell activated carbon (ASAC) was investigated. The adsorption process parameters pH, agitation speed, agitation time, adsorbent dose were optimized. 98% of Cr VI was sorbed at pH 2 and stirring speed 200 rpm.. Surface structure showed that ASAC has a spongy type structure showing large number of pores
Experimental Studies on the Mechanical Property of Laminated Bamboo in Thailand
A new generation product made from bamboo strips,
known as laminated bamboo, has gained importance. The objective
of this research was to experiment the effect of three factors on the
mechanical property of laminated bamboo. The interested factors for
experimental design were (A) four bamboo species, namely Bambusa
blumeana Schultes (Pai See Suk), Dendrocalamus asper Backer (Pai
Tong), Dendrocalamus hamiltonii Nees (Pai Hok) and
Dendrocalamus sericeus Munro (Pai Sang Mon), (B) two types of
glue adhesive, polyvinyl acetate emulsion (PVAC) fortified with
urea-formaldehyde (UF) and urea-formaldehyde (UF) to make
parallel-oriented bamboo strips laminates and (C) glue weight per
strip area, 150 g/m2 and 190 g/m2. Experimental results showed that
Dendrocalamus asper Backer (Pai Tong) and Dendrocalamus
sericeus Munro (Pai Sang Mon) were best used for manufacturing
due to their highest MOR and MOE. The amount of glue weight 150
g/m2 yielded higher MOR and MOE than the amount of glue weight
190 g/m2. At the conclusion, the laminated bamboo manufacturers
can benefit from this research in order to select right materials
according to strength, cost and accessibility.
Phase Behavior of CO2 and CH4 Hydrate in Porous Media
Hydrate phase equilibria for the binary CO2+water and
CH4+water mixtures in silica gel pore of nominal diameters 6, 30, and
100 nm were measured and compared with the calculated results based
on van der Waals and Platteeuw model. At a specific temperature,
three-phase hydrate-water-vapor (HLV) equilibrium curves for pore
hydrates were shifted to the higher-pressure condition depending on
pore sizes when compared with those of bulk hydrates. Notably,
hydrate phase equilibria for the case of 100 nominal nm pore size were
nearly identical with those of bulk hydrates. The activities of water in
porous silica gels were modified to account for capillary effect, and
the calculation results were generally in good agreement with the
experimental data. The structural characteristics of gas hydrates in
silica gel pores were investigated through NMR spectroscopy.
The Using of Mixing Amines in an Industrial Gas Sweetening Plant
Natural gas is defined as gas obtained from a natural underground reservoir. It generally contains a large quantity of methane along with heavier hydrocarbons such as ethane, propane, isobutene, normal butane; also in the raw state it often contains a considerable amount of non hydrocarbons, such as nitrogen and the acid gases (carbon dioxide and hydrogen sulfide). The acid gases must be removed from natural gas before use. One of the processes witch are use in the industry to remove the acid gases from natural gas is the use of alkanolamine process. In this present paper, a simulation study for an industrial gas sweetening plant has been investigated. The aim of the study is to investigate the effect of using mixing amines as solvent on the gas treatment process using the software Hysys.
Study of the Appropriate Factors for Laminated Bamboo Bending by Design of Experiments
This research studied the appropriate factors and conditions for laminated bamboo bending by Design of Experiments (DOE). The interested factors affecting the spring back in laminates bamboo were (1) time, (2) thickness, and (3) frequency. This experiment tested the specimen by using high frequency machine and measured its spring back immediately and next 24 hours for comparing the spring back ratio. Results from the experiments showed that significant factors having major influence to bending of laminates bamboo were thickness and frequency. The appropriate conditions of thickness and frequency were 4 mm. and 1.5 respectively.
Effect of Tube Materials and Special Coating on Coke Deposition in the Steam Cracking of Hydrocarbons
The steam cracking reactions are always accompanied with the formation of coke which deposits on the walls of the tubular reactors. The investigation has attempted to control catalytic coking by the applying aluminum, zinc and ceramic coating like aluminum-magnesium by thermal spray and pack cementation method. Rate of coke formation during steam cracking of naphtha has been investigated both for uncoated stainless steel (with different alloys) and metal coating constructed with thermal Spray and pack cementation method with metal powders of Aluminum, Aluminum-Magnesium, zinc, silicon, nickel and chromium. The results of the study show that passivating the surface of SS321 with a coating of Aluminum and Aluminum-Magnesium can significantly reduce the rate of coke deposition during naphtha pyrolysis. SEM and EDAX techniques (Philips XL Series) were used to examine the coke deposits formed by the metal-hydrocarbon reactions. Our objective was to separate the different stages by identifying the characteristic morphologies.
CFD Flow and Heat Transfer Simulation for Empty and Packed Fixed Bed Reactor in Catalytic Cracking of Naphtha
This work aims to test the application of computational fluid dynamics (CFD) modeling to fixed bed catalytic cracking reactors. Studies of CFD with a fixed bed design commonly use a regular packing with N=2 to define bed geometry. CFD allows us to obtain a more accurate view of the fluid flow and heat transfer mechanisms present in fixed bed equipment. Naphtha was used as feedstock and the reactor length was 80cm. It is divided in three sections that catalyst bed packed in the middle section of the reactor. The reaction scheme was involved one primary reaction and 24 secondary reactions. Because of high CPU times in these simulations, parallel processing have been used. In this study the coke formation process in fixed bed and empty tube reactor was simulated and coke in these reactors are compared. In addition, the effect of steam ratio and feed flow rate on coke formation was investigated.
New Multi-Solid Thermodynamic Model for the Prediction of Wax Formation
In the previous multi-solid models,¤ò approach is
used for the calculation of fugacity in the liquid phase. For the first
time, in the proposed multi-solid thermodynamic model,γ approach
has been used for calculation of fugacity in the liquid mixture.
Therefore, some activity coefficient models have been studied that
the results show that the predictive Wilson model is more appropriate
than others. The results demonstrate γ approach using the predictive
Wilson model is in more agreement with experimental data than the
previous multi-solid models. Also, by this method, generates a new
approach for presenting stability analysis in phase equilibrium
calculations. Meanwhile, the run time in γ approach is less than the
previous methods used ¤ò approach. The results of the new model
present 0.75 AAD % (Average Absolute Deviation) from the
experimental data which is less than the results error of the previous
multi-solid models obviously.
Influences of Si and C- Doping on the Al-27 and N-14 Quardrupole Coupling Constants in AlN Nanotubes: A DFT Study
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.
The Effect of Vibration on the Absorption of CO2 with Chemical Reaction in Aqueous Solution of Calcium Hydroxide
An interesting method to produce calcium carbonate is based in a gas-liquid reaction between carbon dioxide and aqueous solutions of calcium hydroxide. The design parameters for gas-liquid phase are flow regime, individual mass transfer, gas-liquid specific interfacial area. Most studies on gas-liquid phase were devoted to the experimental determination of some of these parameters, and more specifically, of the mass transfer coefficient, kLa which depends fundamentally on the superficial gas velocity and on the physical properties of absorption phase. The principle investigation was directed to study the effect of the vibration on the mass transfer coefficient kLa in gas-liquid phase during absorption of CO2 in the in aqueous solution of calcium hydroxide. The vibration with a higher frequency increase the mass transfer coefficient kLa, but vibration with lower frequency didn-t improve it, the mass transfer coefficient kLa increase with increase the superficial gas velocity.
Preparation and Investigation of Photocatalytic Properties of ZnO Nanocrystals: Effect of Operational Parameters and Kinetic Study
ZnO nanocrystals with mean diameter size 14 nm
have been prepared by precipitation method, and examined as
photocatalyst for the UV-induced degradation of insecticide diazinon
as deputy of organic pollutant in aqueous solution. The effects of
various parameters, such as illumination time, the amount of
photocatalyst, initial pH values and initial concentration of
insecticide on the photocatalytic degradation diazinon were
investigated to find desired conditions. In this case, the desired
parameters were also tested for the treatment of real water containing
the insecticide. Photodegradation efficiency of diazinon was
compared between commercial and prepared ZnO nanocrystals. The
results indicated that UV/ZnO process applying prepared
nanocrystalline ZnO offered electrical energy efficiency and
quantum yield better than commercial ZnO. The present study, on the
base of Langmuir-Hinshelwood mechanism, illustrated a pseudo
first-order kinetic model with rate constant of surface reaction equal
to 0.209 mg l-1 min-1 and adsorption equilibrium constant of 0.124 l
Solid Circulation Rate and Gas Leakage Measurements in an Interconnected Bubbling Fluidized Beds
Two-interconnected fluidized bed systems are widely used in various processes such as Fisher-Tropsch, hot gas desulfurization, CO2 capture-regeneration with dry sorbent, chemical-looping combustion, sorption enhanced steam methane reforming, chemical-looping hydrogen generation system, and so on. However, most of two-interconnected fluidized beds systems require riser and/or pneumatic transport line for solid conveying and loopseals or seal-pots for gas sealing, recirculation of solids to the riser, and maintaining of pressure balance. The riser (transport bed) is operated at the high velocity fluidization condition and residence times of gas and solid in the riser are very short. If the reaction rate of catalyst or sorbent is slow, the riser can not ensure sufficient contact time between gas and solid and we have to use two bubbling beds for each reaction to ensure sufficient contact time. In this case, additional riser must be installed for solid circulation. Consequently, conventional two-interconnected fluidized bed systems are very complex, large, and difficult to operate. To solve these problems, a novel two-interconnected fluidized bed system has been developed. This system has two bubbling beds, solid injection nozzles, solid conveying lines, and downcomers. In this study, effects of operating variables on solid circulation rate, gas leakage between two beds have been investigated in a cold mode two-interconnected fluidized bed system. Moreover, long-term operation of continuous solid circulation up to 60 hours has been performed to check feasibility of stable operation.
Estimating Reaction Rate Constants with Neural Networks
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.
An Anisotropic Model of Damage and Unilateral Effect for Brittle Materials
This work deals with the initial applications and formulation of an anisotropic plastic-damage constitutive model proposed for non-linear analysis of reinforced concrete structures submitted to a loading with change of the sign. The original constitutive model is based on the fundamental hypothesis of energy equivalence between real and continuous medium following the concepts of the Continuum Damage Mechanics. The concrete is assumed as an initial elastic isotropic medium presenting anisotropy, permanent strains and bimodularity (distinct elastic responses whether traction or compression stress states prevail) induced by damage evolution. In order to take into account the bimodularity, two damage tensors governing the rigidity in tension or compression regimes are introduced. Then, some conditions are introduced in the original version of the model in order to simulate the damage unilateral effect. The three-dimensional version of the proposed model is analyzed in order to validate its formulation when compared to micromechanical theory. The one-dimensional version of the model is applied in the analyses of a reinforced concrete beam submitted to a loading with change of the sign. Despite the parametric identification problems, the initial applications show the good performance of the model.
Phase Transformation Temperatures for Shape Memory Alloy Wire
Phase transformation temperature is one of the most important parameters for the shape memory alloys (SMAs). The most popular method to determine these phase transformation temperatures is the Differential Scanning Calorimeter (DSC), but due to the limitation of the DSC testing itself, it made it difficult for the finished product which is not in the powder form. A novel method which uses the Universal Testing Machine has been conducted to determine the phase transformation temperatures. The Flexinol wire was applied with force and maintained throughout the experiment and at the same time it was heated up slowly until a temperature of approximately 1000C with direct current. The direct current was then slowly decreased to cool down the temperature of the Flexinol wire. All the phase transformation temperatures for Flexinol wire were obtained. The austenite start at 52.540C and austenite finish at 60.900C, while martensite start at 44.780C and martensite finish at 32.840C.
Mathematical Modeling of SISO based Timoshenko Structures – A Case Study
This paper features the mathematical modeling of a single input single output based Timoshenko smart beam. Further, this mathematical model is used to design a multirate output feedback based discrete sliding mode controller using Bartoszewicz law to suppress the flexural vibrations. The first 2 dominant vibratory modes is retained. Here, an application of the discrete sliding mode control in smart systems is presented. The algorithm uses a fast output sampling based sliding mode control strategy that would avoid the use of switching in the control input and hence avoids chattering. This method does not need the measurement of the system states for feedback as it makes use of only the output samples for designing the controller. Thus, this methodology is more practical and easy to implement.