Search results for: modulus of subgrade reaction

Authors: Khaled Benyounes

Abstract:

Determination of the rock mechanical properties such as unconfined compressive strength UCS, Young’s modulus E, and tensile strength by the Brazilian test Rtb is considered to be the most important component in drilling and mining engineering project. Research related to establishing correlation between strength and physical parameters of rocks has always been of interest to mining and reservoir engineering. For this, many rock blocks of limestone were collected from the quarry located in Meftah(Algeria), the cores were crafted in the laboratory using a core drill. This work examines the relationships between mechanical properties and some physical properties of limestone. Many empirical equations are established between UCS and physical properties of limestone (such as dry bulk density, velocity of P-waves, dynamic Young’s modulus, alteration index, and total porosity). Others correlations UCS-tensile strength, dynamic Young’s modulus-static Young’s modulus have been find. Based on the Mohr-Coulomb failure criterion, we were able to establish mathematical relationships that will allow estimating the cohesion and internal friction angle from UCS and indirect tensile strength. Results from this study can be useful for mining industry for resolve range of geomechanical problems such as slope stability.

Keywords: limestone, mechanical strength, Young’s modulus, porosity

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Authors: Javad Shamsi Soosahab, Reza Ziaie Moayed

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The compressive and tensile bearing capacity of helical piles in sand is investigated by means of numerical modeling. The analyses are carried out using two-dimensional finite-element software, Optum G2. The load–displacement behavior under compression and tension is compared in different relative densities for constant and various elastic modulus. The criterion used to find the ultimate axial load is the load corresponding to 5% of the helical diameter. The results show that relative density of sand plays an essential role in the response of ultimate capacities towards various condition. Increase in elastic modulus with depth is found to play a relatively more significant role to the increase in ultimate compressive load capacities, however tension bearing capacity decreases.

Keywords: helical piles, Optum G2, relative density, constant and various elastic modulus

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Authors: Kriengsak Damampai, Skulrat Pichaiyut, Amit Das, Charoen Nacason

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The curing of epoxidized natural rubber (ENR) was performed by using metal ions (Ferric chloride, FeCl₃). Two different mole% of epoxide were used there are 25 mole% (ENR-25) and 50 mole% (ENR-50) epoxizied natural rubber. The main aim of this work was investigated the influence of metal ions on the coordination reaction of epoxidized natural rubber. Also, cure characteristics and mechanical properties of the rubber compounds were investigated. It was found that the ENR-50 compounds indicated superior modulus and tensile strength than the ENR-25 compounds. This was attributed to higher the cross-linking in the rubber via coordination linkages between the oxidation groups in ENR molecule and FeCl₃of metal ions. Various quantities of FeCl3 were also investigated. It is seen that the ENR-25 and 50 mole% compounds with FeCl₃ of more than 3 mmol exhibited higher modulus and tensile strength compare to the pure ENR. Furthermore, the FTIR spectra was used to confirm the cross-linked of ENR with FeCl₃.

Keywords: Epoxidized natural rubber, Ferric chloride, cross-linking, Coordination

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Authors: Khaled Benyounes

Abstract:

Determination of the rock mechanical properties such as unconfined compressive strength UCS, Young’s modulus E, and tensile strength by the Brazilian test Rtb is considered to be the most important component in drilling and mining engineering project. Research related to establishing correlation between strength and physical parameters of rocks has always been of interest to mining and reservoir engineering. For this, many rock blocks of limestone were collected from the quarry located in Meftah (Algeria), the cores were crafted in the laboratory using a core drill. This work examines the relationships between mechanical properties and some physical properties of limestone. Many empirical equations are established between UCS and physical properties of limestone (such as dry bulk density, velocity of P-waves, dynamic Young’s modulus, alteration index, and total porosity). Other correlations, UCS - tensile strength, dynamic Young’s modulus - static Young’s modulus have been find. Based on the Mohr-Coulomb failure criterion, we were able to establish mathematical relationships that will allow estimating the cohesion and internal friction angle from UCS and indirect tensile strength. Results from this study can be useful for mining industry for resolve range of geomechanical problems such as slope stability.

Keywords: limestone, mechanical strength, Young’s modulus, porosity

Procedia PDF Downloads 637

Authors: Doo Ki Lee, Kumaresh Selvakumar, Man Young Kim

Abstract:

Catalytic combustion is an environmentally friendly technique to combust fuels in gas turbines. In this paper, the behavior of surface reaction rate on catalytic combustion is studied with respect to the heterogeneous oxidation of methane-air mixture in a catalytic reactor. Plug flow reactor (PFR), the simplified single catalytic channel assists in investigating the catalytic combustion phenomenon over the Pt catalyst by promoting the desired chemical reactions. The numerical simulation with multi-step elementary surface reactions is governed by the availability of free surface sites onto the catalytic surface and thereby, the catalytic combustion characteristics are demonstrated by examining the rate of the reaction for lean fuel mixture. Further, two different surface reaction mechanisms are adopted and compared for surface reaction rates to indicate the controlling heterogeneous reaction for better fuel conversion. The performance of platinum catalyst under heterogeneous reaction is analyzed under the same temperature condition, where the catalyst with the higher kinetic rate of reaction would have a maximum catalytic activity for enhanced methane catalytic combustion.

Keywords: catalytic combustion, heterogeneous reaction, plug flow reactor, surface reaction rate

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Authors: H. Alamri

Abstract:

Natural fiber reinforced composites have attracted researchers for their desirable properties of toughness, high modulus, low density, recyclability, and renewability. In fact, the use of natural fibers in polymer composites has the potential to produce materials with higher specific strength and specific modulus due of their low density. Likewise, polymer-nano-filler composites have been widely investigated for their unique and significant improvement in strength, modulus, impact strength, barrier properties, heat resistance and thermal stability. In this paper, The addition of halloysite nanotubes (HNTs) with three different weight percentages (1%, 3% and 5%) on enhancing barrier and flexural strength and modulus of cellulose-fiber (CF) /epoxy composites after water treatment for six months was studied. Results indicated that water uptake decreased as HNT content increased. The presence of HNT improved flexural strength and flexural modulus of CF/epoxy composites. SEM results showed damages in fiber-matrix interfacial bonding due to water absorption. The addition of HNTs was found to enhance to adhesion between fibers and matrix.

Keywords: mechanical properties, epoxy, nanocomposites, halloysite nanotubes

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Authors: Innocent Kafodya, Guijun Xian

Abstract:

This paper presents effects of distilled water, seawater and sustained bending strains of 30% and 50% ultimate strain at room temperature, on the durability of unidirectional pultruded carbon fiber reinforced polymer (CFRP) plates. In this study, dynamic mechanical analyzer (DMA) was used to investigate the synergic effects of the immersions and bending strains on the visco-elastic properties of (CFRP) such as storage modulus, tan delta and glass transition temperature. The study reveals that the storage modulus and glass transition temperature increase while tan delta peak decreases in the initial stage of both immersions due to the progression of curing. The storage modulus and Tg subsequently decrease and tan delta increases due to the matrix plasticization. The blister induced damages in the unstrained seawater samples enhance water uptake and cause more serious degradation of Tg and storage modulus than in water immersion. Increasing sustained bending decreases Tg and storage modulus in a long run for both immersions due to resin matrix cracking and debonding. The combined effects of immersions and strains are not clearly reflected due to the statistical effects of DMA sample sizes and competing processes of molecular reorientation and postcuring.

Keywords: pultruded CFRP plate, bending strain, glass transition temperature, storage modulus, tan delta

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Authors: Mohsin Talib Mohammed, Zahid A. Khan, Arshad N. Siddiquee

Abstract:

Biometallic materials are the most important materials for use in biomedical applications especially in manufacturing a variety of biological artificial replacements in a modern worlds, e.g. hip, knee or shoulder joints, due to their advanced characteristics. Titanium (Ti) and its alloys are used extensively in biomedical applications based on their high specific strength and excellent corrosion resistance. Beta-Ti alloys containing completely biocompatible elements are exceptionally prospective materials for manufacturing of bioimplants. They have superior mechanical, chemical and electrochemical properties for use as biomaterials. These biomaterials have the ability to introduce the most important property of biochemical compatibility which is low elastic modulus. This review examines current information on the recent developments in alloying elements leading to improvements of beta Ti alloys for use as biomaterials. Moreover, this paper focuses mainly on the evolution, evaluation and development of the modulus of elasticity as an effective factor on the performance of beta alloys.

Keywords: beta alloys, biomedical applications, titanium alloys, Young's modulus

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Authors: V. K. Srivastava

Abstract:

Graphene has recently attracted an increasing attention in nanocomposites applications because it has 200 times greater strength than steel, making it the strongest material ever tested. Graphene, as the fundamental two-dimensional (2D) carbon structure with exceptionally high crystal and electronic quality, has emerged as a rapidly rising star in the field of material science. Graphene, as defined, as a 2D crystal, is composed of monolayers of carbon atoms arranged in a honeycombed network with six-membered rings, which is the interest of both theoretical and experimental researchers worldwide. The name comes from graphite and alkene. Graphite itself consists of many graphite-sheets stacked together by weak van der Waals forces. This is attributed to the monolayer of carbon atoms densely packed into honeycomb structure. Due to superior inherent properties of graphene nanoplatelets (GnP) over other nanofillers, GnP particles were added in epoxy resin with the variation of weight percentage. It is indicated that the DMA results of storage modulus, loss modulus and tan δ, defined as the ratio of elastic modulus and imaginary (loss) modulus versus temperature were affected with addition of GnP in the epoxy resin. In epoxy resin, damping (tan δ) is usually caused by movement of the molecular chain. The tan δ of the graphene nanoplatelets/epoxy resin composite is much lower than that of epoxy resin alone. This finding suggests that addition of graphene nanoplatelets effectively impedes movement of the molecular chain. The decrease in storage modulus can be interpreted by an increasing susceptibility to agglomeration, leading to less energy dissipation in the system under viscoelastic deformation. The results indicates the tan δ increased with the increase of temperature, which confirms that tan δ is associated with magnetic field strength. Also, the results show that the nanohardness increases with increase of elastic modulus marginally. GnP filled epoxy resin gives higher value than the epoxy resin, because GnP improves the mechanical properties of epoxy resin. Debonding of GnP is clearly observed in the micrograph having agglomeration of fillers and inhomogeneous distribution. Therefore, DMA and nanohardness studies indiacte that the elastic modulus of epoxy resin is increased with the addition of GnP fillers.

Keywords: agglomeration, elastic modulus, epoxy resin, graphene nanoplatelet, loss modulus, nanohardness, storage modulus

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Authors: Abdennour Benmakhlouf, Abdelouahab Bentabet

Abstract:

In this paper, we investigated the athermal pressure behavior of the structural and elastic properties of scheelite BaWO4 phase up to 7 GPa using the ab initio pseudo-potential method. The calculated lattice parameters pressure relation have been compared with the experimental values and found to be in good agreement with these results. Moreover, we present for the first time the investigation of the elastic properties of this compound using the density functional perturbation theory (DFPT). It is shown that this phase is mechanically stable up to 7 GPa after analyzing the calculated elastic constants. Other relevant quantities such as bulk modulus, pressure derivative of bulk modulus, shear modulus; Young’s modulus, Poisson’s ratio, anisotropy factors, Debye temperature and sound velocity have been calculated. The obtained results, which are reported for the first time to the best of the author’s knowledge, can facilitate assessment of possible applications of the title material.

Keywords: pseudo-potential method, pressure, structural and elastic properties, scheelite BaWO4 phase

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Authors: Md Tanvir Rahman, Mahbube Subhani, Mahmud Ashraf, Paul Kremer

Abstract:

Cross-laminated timber (CLT) is made from layers of timber boards orthogonally oriented in the thickness direction, and due to this, CLT can withstand bi-axial bending in contrast with most other engineered wood products such as laminated veneer lumber (LVL) and glued laminated timber (GLT). Wood is cylindrically anisotropic in nature and is characterized by significantly lower elastic modulus and shear modulus in the planes perpendicular to the fibre direction, and is therefore classified as orthotropic material and is thus characterized by 9 elastic constants which are three elastic modulus in longitudinal direction, tangential direction and radial direction, three shear modulus in longitudinal tangential plane, longitudinal radial plane and radial tangential plane and three Poisson’s ratio. For simplification, timber materials are generally assumed to be transversely isotropic, reducing the number of elastic properties characterizing it to 5, where the longitudinal plane and radial planes are assumed to be planes of symmetry. The validity of this assumption was investigated through numerical modelling of CLT with both orthotropic mechanical properties and transversely isotropic material properties for three softwood species, which are Norway spruce, Douglas fir, Radiata pine, and three hardwood species, namely Victorian ash, Beech wood, and Aspen subjected to uniformly distributed loading under simply supported boundary condition. It was concluded that assuming the timber to be transversely isotropic results in a negligible error in the order of 1 percent. It was also observed that along with longitudinal elastic modulus, ratio of longitudinal shear modulus (GL) and rolling shear modulus (GR) has a significant effect on a deflection for CLT panels of lower span to depth ratio. For softwoods such as Norway spruce and Radiata pine, the ratio of longitudinal shear modulus, GL to rolling shear modulus GR is reported to be in the order of 12 to 15 times in literature. This results in shear flexibility in transverse layers leading to increased deflection under out-of-plane loading. The rolling shear modulus of hardwoods has been found to be significantly higher than those of softwoods, where the ratio between longitudinal shear modulus to rolling shear modulus as low as 4. This has resulted in a significant rise in research into the manufacturing of CLT from entirely from hardwood, as well as from a combination of softwood and hardwoods. The commonly used beam theory to analyze the performance of CLT panels under out-of-plane loads are the Shear analogy method, Gamma method, and k-method. The shear analogy method has been found to be the most effective method where shear deformation is significant. The effect of the ratio of longitudinal shear modulus and rolling shear modulus of cross-layer on the deflection of CLT under uniformly distributed load with respect to its length to depth ratio was investigated using shear analogy method. It was observed that shear deflection is reduced significantly as the ratio of the shear modulus of the longitudinal layer and rolling shear modulus of cross-layer decreases. This indicates that there is significant room for improvement of the bending performance of CLT through developing hybrid CLT from a mix of softwood and hardwood.

Keywords: rolling shear modulus, shear deflection, ratio of shear modulus and rolling shear modulus, timber

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Authors: Tugba Yilmaz Aydin, Ergun Guntekin, Murat Aydin

Abstract:

Effects of heat treatment on the elastic constants of cedar wood (Cedrus libani) were investigated. Specimens were exposed to heat under atmospheric pressure at four different temperatures (120, 150, 180, 210 °C) and three different time levels (2, 5, 8 hours). Three Young’s modulus (EL, ER, ET) and six Poisson ratios (μLR, μLT, μRL, μRT, μTL, μTR) were determined from compression test using bi-axial extensometer at constant moisture content (12 %). Three shear modulus were determined using ultrasound. Six shear wave velocities propagating along the principal axes of anisotropy were measured using EPOCH 650 ultrasonic flaw detector with 1 MHz transverse transducers. The properties of the samples tested were significantly affected by heat treatment by different degree. As a result, softer treatments yielded some amount of increase in Young modulus and shear modulus values, but increase of time and temperature resulted in significant decrease for both values. Poisson ratios seemed insensitive to heat treatment.

Keywords: cedar wood, elastic constants, heat treatment, ultrasound

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Authors: Paul G. Bolz, Paul G. Lindner, Frohmut Wellner, Christian Schulze, Joern Huebelt

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Concrete, as a result of its use as a construction material, is not only subject to static loads but is also exposed to variables, time-variant, and oscillating stresses. In order to ensure the suitability of construction materials for resisting these cyclic stresses, different test methods are used for the systematic fatiguing of specimens, like the cyclic indirect tensile test. A procedure is presented that allows the estimation of the degradation of cylindrical concrete specimens during the cyclic indirect tensile test by measuring the dynamic modulus of elasticity in different states of the specimens’ fatigue process. Two methods are used in addition to the cyclic indirect tensile test in order to examine the dynamic modulus of elasticity of cylindrical concrete specimens. One of the methods is based on the analysis of eigenfrequencies, whilst the other one uses ultrasonic pulse measurements to estimate the material properties. A comparison between the dynamic moduli obtained using the three methods that operate in different frequency ranges shows good agreement. The concrete specimens’ fatigue process can therefore be monitored effectively and reliably.

Keywords: concrete, cyclic indirect tensile test, degradation, dynamic modulus of elasticity, eigenfrequency, fatigue, natural frequency, ultrasonic, ultrasound, Young’s modulus

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Authors: Chongyang Ye, Rong Liu

Abstract:

Compression textiles such as compression stockings (CSs) have been extensively applied for the prevention and treatment of chronic venous insufficiency of lower extremities. The involvement of multiple mechanical factors such as interface pressure, frictional force, and elastic materials make the interactions between lower limb and CSs to be complex. Determination of Poisson’s ratio and elastic moduli of CS materials are critical for constructing finite element (FE) modeling to numerically simulate a complex interactive system of CS and lower limb. In this study, a mixed approach, including an analytic model based on the orthotropic Hooke’s Law and experimental study (uniaxial tension testing and pure shear testing), has been proposed to determine Young’s modulus, Poisson’s ratio, and shear modulus of CS fabrics. The results indicated a linear relationship existing between the stress and strain properties of the studied CS samples under controlled stretch ratios (< 100%). The newly proposed method and the determined key mechanical properties of elastic orthotropic CS fabrics facilitate FE modeling for analyzing in-depth the effects of compression material design on their resultant biomechanical function in compression therapy.

Keywords: elastic compression stockings, Young’s modulus, Poisson’s ratio, shear modulus, mechanical analysis

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Authors: M. Kakavand, S. A. Naeini

Abstract:

Dynamic properties of soil in small strains, especially for geotechnical engineers, are important for describing the behavior of soil and estimation of the earth structure deformations and structures, especially significant structures. This paper presents the effect of density on the shear modulus and damping ratio of saturated clean sand at various isotropic confining pressures. For this purpose, the specimens were compared with two different relative densities, loose Dr = 30% and dense Dr = 70%. Dynamic parameters were attained from a series of consolidated undrained fixed – free type torsional resonant column tests in small strain. Sand No. 161 is selected for this paper. The experiments show that by increasing sand density and confining pressure, the shear modulus increases and the damping ratio decreases.

Keywords: dynamic properties, shear modulus, damping ratio, clean sand, density, confining pressure, resonant column/torsional simple shear, TSS

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Authors: Mohammed Abed, Rita Nemes, Salem Nehme

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The present study experimentally investigated the impact of incorporating unprocessed waste fly ash (UWFA) on the residual mechanical properties of self-compacting concrete (SCC) after exposure to elevated temperature. Three mixtures of SCC have been produced by replacing the cement mass by 0%, 15% and 30% of UWFA. Generally, the fire resistance of SCC has been enhanced by replacing the cement up to 15% of UWFA, especially in case of residual modulus of elasticity which considers more sensitive than other mechanical properties at elevated temperature. However, a strong linear relationship has been observed between the residual flexural strength and modulus of elasticity, where both of them affected significantly by the cracks appearance and propagation as a result of elevated temperature. Sustainable products could be produced by incorporating unprocessed waste powder materials in the production of concrete, where the waste materials, CO₂ emissions, and the energy needed for processing are reduced.

Keywords: self-compacting high-performance concrete, unprocessed waste fly ash, fire resistance, residual modulus of elasticity

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Authors: Sang-Woo Han, Jong-Shik Shin

Abstract:

w-Transaminase (w-TA) is broadly used for synthesizing chiral amines with a high enantiopurity. However, the reaction mechanism of w-TA has been not well studied, contrary to a-transaminase (a-TA) such as AspTA. Here, we propose in silico model on the reaction mechanism of w-TA. Based on the modeling results which showed large free energy gaps between external aldimine and quinonoid on deamination (or ketimine and quinonoid on amination), withdrawal of Ca-H seemed as a critical step which determines the reaction rate on both amination and deamination reactions, which is consistent with previous researches. Hyperconjugation was also observed in both external aldimine and ketimine which weakens Ca-H bond to elevate Ca-H abstraction.

Keywords: computational modeling, reaction intermediates, w-transaminase, in silico model

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Authors: Ude N. Callistus, Amulu F. Ndidi, Onukwuli D. Okechukwu, Amulu E. Patrick

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Power law approximation was used in this study to evaluate the reaction orders of calcium oxide, CaO catalyzed transesterification of refined cottonseed oil and methanol. The kinetics study was carried out at temperatures of 45, 55 and 65 ^oC. The kinetic parameters such as reaction order 2.02 and rate constant 2.8 hr^-1g^-1cat, obtained at the temperature of 65 ^oC best fitted the kinetic model. The activation energy, Ea obtained was 127.744 KJ/mol. The results indicate that the transesterification reaction of the refined cottonseed oil using calcium oxide catalyst is approximately second order reaction.

Keywords: refined cottonseed oil, transesterification, CaO, heterogeneous catalysts, kinetic model

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Authors: Khaled Benyounes, Abderrahmane Mellak

Abstract:

The rheology of aqueous solutions of polyelectrolyte (polyanionic cellulose, PAC) at high molecular weight was investigated using a controlled stress rheometer. Several rheological measurements; viscosity measurements, creep compliance tests at a constant low shear stress and oscillation experiments have been performed. The concentrations ranged by weight from 0.01 to 2.5% of PAC. It was found that the aqueous solutions of PAC do not exhibit a yield stress, the flow curves of PAC over a wide range of shear rate (0 to 1000 s-1) could be described by the cross model and the Williamson models. The critical concentrations of polymer c* and c** have been estimated. The dynamic moduli, i.e., storage modulus (G’) and loss modulus (G’’) of the polymer have been determined at frequency sweep from 0.01 to 10 Hz. At polymer concentration above 1%, the modulus G’ is superior to G’’. The relationships between the dynamic modulus and concentration of polymer have been established. The creep-recovery experiments demonstrated that polymer solutions show important viscoelastic properties of system water-PAC when the concentration of the polymer increases.

Keywords: polyanionic cellulose, viscosity, creep, oscillation, cross model

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Authors: Salise Oktay, Nilgun Kizilcan, Basak Bengu

Abstract:

At present, formaldehyde-based adhesives such as urea-formaldehyde (UF), melamine-formaldehyde (MF), melamine – urea-formaldehyde (MUF), etc. are mostly used in wood-based panel industry because of their high reactivity, chemical versatility, and economic competitiveness. However, formaldehyde-based wood adhesives are produced from non- renewable resources and also formaldehyde is classified as a probable human carcinogen (Group B1) by the U.S. Environmental Protection Agency (EPA). Therefore, there has been a growing interest in the development of environment-friendly, economically competitive, bio-based wood adhesives to meet wood-based panel industry requirements. In this study, like a formaldehyde-free adhesive, oxidized starch – urea wood adhesives was synthesized. In this scope, firstly, acid hydrolysis of corn starch was conducted and then acid thinned corn starch was oxidized by using hydrogen peroxide and CuSO₄ as an oxidizer and catalyst, respectively. Secondly, the polycondensation reaction between oxidized starch and urea conducted. Finally, nano – TiO₂ was added to the reaction system to strengthen the adhesive network. Solid content, viscosity, and gel time analyses of the prepared adhesive were performed to evaluate the adhesive processability. FTIR, DSC, TGA, SEM characterization techniques were used to investigate chemical structures, thermal, and morphological properties of the adhesive, respectively. Rheological analysis of the adhesive was also performed. In order to evaluate the quality of oxidized corn starch – urea adhesives, particleboards were produced in laboratory scale and mechanical and physical properties of the boards were investigated such as an internal bond, modulus of rupture, modulus of elasticity, formaldehyde emission, etc. The obtained results revealed that oxidized starch – urea adhesives were synthesized successfully and it can be a good potential candidate to use the wood-based panel industry with some developments.

Keywords: nano-TiO₂, corn starch, formaldehyde emission, wood adhesives

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Authors: Silvana Caglieri

Abstract:

Theoretical study of acetylation of p-methylaniline catalyzed by Cu2+ ions from the analysis of intermediate of the reaction was carried out. The study of acetylation of amines is of great interest by the utility of its products of reaction and is one of the most frequently used transformations in organic synthesis as it provides an efficient and inexpensive means for protecting amino groups in a multistep synthetic process. Acetylation of amine is a nucleophilic substitution reaction. This reaction can be catalyzed by Lewis acid, metallic ion. In reaction mechanism, the metallic ion formed a complex with the oxygen of the acetic anhydride carbonyl, facilitating the polarization of the same and the successive addition of amine at the position to form a tetrahedral intermediate, determining step of the rate of the reaction. Experimental work agreed that this reaction takes place with the formation of a tetrahedral intermediate. In the present theoretical work were investigated the structure and energy of the tetrahedral intermediate of the reaction catalyzed by Cu2+ ions. Geometries of all species involved in the acetylation were made and identified. All of the geometry optimizations were performed by the method at the DFT/B3LYP level of theory and the method MP2. Were adopted the 6-31+G* basis sets. Energies were calculated using the Mechanics-UFF method. Following the same procedure it was identified the geometric parameters and energy of reaction intermediate. The calculations show 61.35 kcal/mol of energy for the tetrahedral intermediate and the energy of activation for the reaction was 15.55 kcal/mol.

Keywords: amides, amines, DFT, MP2

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Authors: Mojgan Zendehdel, Safura Molla Mohammad Zamani

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In this paper, Fe3O4/NaY zeolite nanocomposite with different molar ratio were successfully synthesized and characterized using FT-IR, XRD, TGA, SEM and VSM techniques. The SEM graphs showed that much of Fe3O4 was successfully coated by the NaY zeolite layer. Also, the results show that the magnetism of the products is stable with added zeolite. The catalytic effect of nanocomposite investigated for esterification reaction under solvent-free conditions. Hence, the effect of the catalyst amount, reaction time, reaction temperature and reusability of catalyst were considered and nanocomposite that created from zeolite and 16.6 percent of Fe3O4 showed the highest yield. The catalyst can be easily separated from reaction with the magnet and it can also be used for several times.

Keywords: zeolite, magnetic, nanocompsite, esterification

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Authors: Adeleh Moshtaghi Zonouz, Issa Eskandari

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A simple, efficient, and green one-pot, four-component synthesis of highly substituted polyhydronaphthalenes in aqueous media is described. The method has such advantages as short reaction times, high yields, mild reaction conditions, operational simplicity and environmentally benign.

Keywords: polyhydronaphthalene, 2, 6-dicyanoanilines, multi-component reaction, aqueous media

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Authors: Nonde Lushinga, Jiang Xin, Danstan Chiponde, Lawrence P. Mutale

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In this paper, falling weight deflectometer (FWD) was used to determine the bonding condition of a newly constructed semi-rigid base pavement. Using Evercal back-calculation computer programme, it was possible to quickly and accurately determine the structural condition of the pavement system of FWD test data. The bonding condition of the pavement layers was determined from calculated shear stresses and strains (relative horizontal displacements) on the interface of pavement layers from BISAR 3.0 pavement computer programmes. Thus, by using non-linear layered elastic theory, a pavement structure is analysed in the same way as other civil engineering structures. From non-destructive FWD testing, the required bonding condition of pavement layers was quantified from soundly based principles of Goodman’s constitutive models shown in equation 2, thereby producing the shear reaction modulus (Ks) which gives an indication of bonding state of pavement layers. Furthermore, a Tack coat failure Ratio (TFR) which has long being used in the USA in pavement evaluation was also used in the study in order to give validity to the study. According to research [39], the interface between two asphalt layers is determined by use of Tack Coat failure Ratio (TFR) which is the ratio of the stiffness of top layer asphalt layers over the stiffness of the second asphalt layer (E1/E2) in a slipped pavement. TFR gives an indication of the strength of the tack coat which is the main determinants of interlayer slipping. The criteria is that if the interface was in the state full bond, TFR would be greater or equals to 1 and that if the TFR was 0, meant full slip. Results of the calculations showed that TFR value was 1.81 which re-affirmed the position that the pavement under study was in the state of full bond because the value was greater than 1. It was concluded that FWD can be used to determine bonding condition of existing and newly constructed pavements.

Keywords: falling weight deflectometer (FWD), backcaluclation, semi-rigid base pavement, shear reaction modulus

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Authors: Sabriye Piskin, Sibel Kasap, Muge Sari Yilmaz

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Nanocrystalline TiO₂ particles were successfully synthesized via sol-gel and sonochemical combination using titanium tetraisopropoxide as a precursor at lower temperature for a short time. The effect of the reaction parameters (hydrolysis media, acid media, and reaction temperatures) on the synthesis of TiO₂ particles were investigated in the present study. Characterizations of synthesized samples were prepared by X-ray diffraction (XRD) analysis. It was shown that the reaction parameters played a significant role in the synthesis of TiO₂ particles.

Keywords: crystalline TiO2, sonochemical mechanism, sol-gel reaction, XRD

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Authors: Samir Hmaimou, Marouane Ait Lahcen, Mohamed Adardour, Mohamed Maatallah, Abdesselam Baouid

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Due to (3 + 2) cycloaddition and condensation reaction, a wide range of synthetic routes can be used to obtain biologically active heterocyclic compounds. Condensation and (3+2) cycloaddition reactions in heterocyclic syntheses are versatile due to the wide variety of possible combinations of several atoms of the reactants. In this article, we first outline the synthesis of benzodiazepine 4 with two dipolarophilic centers (C=C and C=N) by condensation reaction. Then, we use it for cycloaddition reactions (3+2) with nitrile oxides to prepare oxadiazole-benzodiazepines and pyrazole-benzodiazepine compounds. ¹H and ¹³C NMR are used to establish all the structures of the synthesized products. These condensation and cycloaddition reactions were then analyzed using density functional theory (DFT) calculations at the B3LYP/6-311G(d,p) theoretical level. In this study, the mechanism of the one-step cycloaddition reaction was investigated. Molecular electrostatic potential (MEP) was used to identify the electrophilic and nucleophilic attack sites of the molecules studied. Additionally, Fukui investigations (electrophilic f- and nucleophilic f+) in the various reaction centers of the reactants demonstrate that, whether in the condensation reaction or cycloaddition, the reaction proceeds through the atomic centers with the most important Fukui functions, which is in full agreement with experimental observations. In the condensation reaction, thermodynamic control of regio, chemo, and stereoselectivity is observed, while those of cycloaddition are subject to kinetic control.

Keywords: cycloaddition reaction, regioselectivity, mechanism reaction, NMR analysis

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Authors: P. A. Broodryk, A. F. Van Der Merwe, H. W. J. P. Neomagus

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The production of the clear liquid fertilizer ammonium polyphosphate (APP) is best achieved by the pyrolysis of urea phosphate, as it produces a product that is free from any of the impurities present in the raw phosphoric acid it was made from. This is a multiphase, multi-step reaction that produces carbon dioxide and ammonia as gasses and ammonium polyphosphate as liquid products. The polyphosphate chain length affects the solubility and thus the applicability of the product as liquid fertiliser, thus proper control of the reaction conditions is thus required for the use of this reaction in the production of fertilisers. This study investigates the reaction kinetics of the aforementioned reaction, describing a mathematical model for the kinetics of the reaction along with the accompanying rate constants. The reaction is initially exothermic, producing only carbon dioxide as a gas product and ammonium diphosphate, at higher temperatures the reaction becomes endothermic, producing ammonia gas as an additional by-product and longer chain polyphosphates, which when condensed too far becomes highly water insoluble. The aim of this study was to (i) characterise the pyrolysis reaction of urea phosphate by determining the mechanisms and the associated kinetic constants, and (ii) to determine the optimum conditions for ammonium diphosphate production. A qualitative investigation was also done to find the rate of hydrolysis of APP as this provides an estimate of the shelf life of an APP clear liquid fertiliser solution.

Keywords: ammonium polyphosphate, kinetics, pyrolysis, urea phosphate

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Authors: Ergun Guntekin

Abstract:

This study investigated elastic constants of scots pine (Pinus sylvestris L.) grown in Turkey by means of ultrasonic waves. Three Young’s modulus, three shear modulus and six Poisson ratios were determined at constant moisture content (12 %). Three longitudinal and six shear wave velocities propagating along the principal axes of anisotropy, and additionally, three quasi-shear wave velocities at 45° with respect to the principal axes of anisotropy were measured using EPOCH 650 ultrasonic flaw detector. The measured average longitudinal wave velocities for the sapwood in L, R, T directions were 4795, 1713 and 1117 m/s, respectively. The measured average shear wave velocities ranged from 682 to 1382 m/s. The measured quasi-shear wave velocities varied between 642 and 1280 m/s. The calculated average modulus of elasticity values for the sapwood in L, R, T directions were 11913, 1565 and 663 N/mm2, respectively. The calculated shear modulus in LR, LT and RT planes were 1031, 541, 415 N/mm2. Comparing with available literature, the predicted elastic constants are acceptable.

Keywords: elastic constants, prediction, Scots pine, ultrasound

Procedia PDF Downloads 279

Authors: U. Chattaraj, K. Dhusiya, M. Raviteja

Abstract:

Perception reaction time of drivers is an outcome of human thought process, which is vague and approximate in nature and also varies from driver to driver. So, in this study a fuzzy logic based model for prediction of the same has been presented, which seems suitable. The control factors, like, age, experience, intensity of driving of the driver, speed of the vehicle and distance of stimulus have been considered as premise variables in the model, in which the perception reaction time is the consequence variable. Results show that the model is able to explain the impacts of the control factors on perception reaction time properly.

Keywords: driver, fuzzy logic, perception reaction time, premise variable

Procedia PDF Downloads 304

Authors: Reza Ziaie Moayed, Javad Shamsi Soosahab

Abstract:

The bearing capacity of shallow foundations is one of the interesting subjects in geotechnical engineering. Soil improvement by geosynthetic reinforcements is a modern method used in different projects to improve the bearing capacity of foundations. In this paper, numerical study is adopted to investigate the effect of geogrid soil reinforcement on shallow foundation behavior resting on anisotropic sand with using a finite element limit analysis software. The effect of the ratio of horizontal elastic modulus with respect to vertical elastic modulus (EH/EV) investigates on bearing capacity of foundations. The results illustrate that in sandy soils, the anisotropic ratio of elastic modulus (EH/EV) has notable effect on bearing capacity of shallow foundations. Also, based on the results of this study, it was concluded that geogrid could be used as soil reinforcement elements to improve the bearing of sandy soils and reduce its settlement possible remarkably.

Keywords: shallow foundations, bearing capacity, numerical study, soil anisotropy, geogrid

Procedia PDF Downloads 149