Sharif Digital Repository

Nano and microsize H-ZSM-5 were synthesized by hydrothermal crystallization method with same batch composition to investigate the effect of crystallite size of H-ZSM-5 in the methanol conversion to propylene (MTP) process. The average particle size of nano and microsize H-ZSM-5 were obtained in the range of 0.15- 0.2 and 1- 2 µm, respectively. Also, optimized catalyst of Petrochemical Research and Technology Company was synthesized using terapropylammonium bromide as template. Nowadays, terapropylammonium bromide (TPABr) is cheeper than terapropylammonium hydroxide (TPAOH); therefore we used it as tamplate. Activity tests were conducted at operating conditions of T= 460˚C, P=1 atm and WHSV... 

Highly active unsupported MoO3 and (Co) MoO3 catalysts were synthesized utilizing the solution combustion method where the Ammonium molybdate powder and an organic additive were used as precursors. Different organic materials including Ethylene Diamin Tetra-acetic acid (EDTA), Polyethylene Glycol 200 (PEG 200), Sorbitol and Urea were used as additive in order to investigate the effect of additive structure on morphology and particle size of products. Also various reaction parameters such as the additive/Mo molar ratio, concentration of metal ion in solution, pH of the reaction and temperature of the synthesis media were changed to study effects on product morphology and size. Outcomes were... 

Since the discovery of fullerene C60, its chemical and physical properties have been a hot topic in the field of research. For the past two decades remarkable developments achieved in the field of fullerenes chemistry. The aim of this study is comparative study of antioxidant property of fullerene C60 and its amine derivatives and the effect of transition metal complexes. At the outset the anti-oxidative property of fullerene C60 and its amine derivatives explored and it was found that by increasing the chain length of amines, the anti-oxidative property of aminofullerenes increased respectively. In next step the effect of CoSALEN complex on anti-oxidative property of fullerene was... 

The goal of this project was study on coordination behavior of the 14-membered macrocyclic ligand of type N2O2 aza-crown while it is attached to fullerene C60 nano-particle. For this purpose, firstly the macrocyclic ligand (Fig 3-1, L1) was synthesized and then was reacted with C60 (Fig 3-1, L2) of which the product was characterized by elemental analysis. Since the product was insoluble in any solvents, further study on its coordination chemistry was impossible. In a second procedure, the macrocyclic ligand was reacted with benzylbromide. The reaction mixture gave two macrocyclic ligands with different number of benzylic pendant groups (Fig 3-1, L3-L4). The products were separated by column... 

In many structures, crack creation is one of the most significant fracture mechanisms. To predict these fracture mechanisms accurate numerical modeling is necssary. Finite Element Method (FEM) is one of the substantial methods in analysis of numerical fracture problems in recent past decades. But, this method has difficulties in remeshing of elements in each step of calculation in fracture mechanics or large deformation analysis. Therefore, the theory was defined that, without using elements, just with setting of characteristics nodes in geometry of problem, the differential equations can be solved. These methods are called Meshfree or Meshless methods. RKPM is a new meshfree method for... 

With a fast progress in nanotechnology devices and components, e.g., MEMS/NEMS, heat transfer study in micro/nanoscales has become so critical for the systematic design and precise control of such miniaturized devices towards the integration and automation of Lab-on-a-chip devices. Demands in high heat transfer rates have returned the concerns to impinging jet cooling systems. However, studying impinging jets in the micro/nano scales is requires the molecular dynamics knowledge to analyze the true micro/nanoscale flow behavior accurately. According to the importance of this subject, we use direct simulation Monte Carlo (DSMC) method to simulate nano impinging jet gas flows. The thesis is... 

A theory of gradient elasticity is used and numerically implemented by a meshless method that is called reproducing kernel particle method (RKPM) to model size effects. Some of the problems are modeled under the consideration of gradient elasticity for the first time and all of them are also modeled with classical elasticity to compare with gradient elasticity. First of all, the RKPM formulation and computing the amount of shape functions and requisite derivatives will be explained with details and a mathematical innovation that will decrease the computational cost seriously proposed for the first time. Several 1D and 2D shape functions with first and second derivatives that are resulted... 

In this research a novel palladium nanocatalyst was synthesized over single-wall carbon nanotube (SWNT) support and then applied in the selective hydrogenation of acetylene in an ethylene rich-flow stream. This nanocatalyst displayed a very promising selectivity toward ethylene production upon rising of the temperature, as well as suppressing oligomer formation during acetylene hydrogenation. It was rationalized that the overwhelming governing mechanism for the acetylene hydrogenation over the 0.48 wt% Pd/SWNT was the hydrogen transfer. Furthermore, new operating conditions for selective hydrogenation of acetylene in ethylene rich-flow were introduced through which the selective... 

Electroplating is an appropriate method for co-deposition of metallic, non-metallic and polymeric fine particles onto a metal matrix for production of functional coatings. In this study, chromium and Cr–Al2O3 composite coatings are electrodeposited from trivalent chromium bath by using DC and square pulse current. Dependence of the amount of Al2O3 nano-particles trapped into the coatings on the Al2O3 bath concentration, average current density, particle size, agitation rate and type of the current is investigated. These parameters are optimized for the highest co-deposition amount of the Al2O3 onto chromium layer. Optimum values are 20g/l Al2O3, 200 rpm stirring rate and 25A/dm2 current... 

In this study, electrochemical oxygen reduction reaction (ORR) was studied on Cu, Pd, Rh, Pd-Cu and Rh-Cu alloys in alkaline solution. Pd-Cu and Rh-Cu alloys were prepared by electrochemical methods. On copper electrode it is found that direct oxygen reduction is accompanied by the electrochemical reductions of copper oxides. Also, mechanism and kinetics of reaction change as the amount of copper oxides increase on the surface. For electrodeposited alloys, it is indicated that the reactivity of Pd-Cu and Rh-Cu alloys toward oxygen reduction is higher than pure Pd and pure Rh. The maximum reactivity among Pd-Cu alloys is related to the sample with 24.5% copper content while the maximum... 

Nowadays, science of nano technology has been growing quickly in the past decade. Scientists implemented this technology in bioengineering, electronics and medicine extensively. Nano scale engineering is one of the interests of researchers, nano bearing as a nano scale structure and as an important part of nano machining plays an important role in micro and nano devices. The role of nano bearing is to decrease energy dissipation and increase the efficiency of nano machines. The main purpose of this study is to design and analyze an optimized nano ball bearing. In this regard, a new spherical super element is designed and presented. This super element is implemented in simulating the... 

The physical characteristics of Pt nanoclusters with different sizes (256-8788 atoms) have been investigated via molecular dynamics simulations. The Pt-Pt radial distribution function, internal energy, heat capacity, enthalpy, entropy of the nanoclusters are calculated at some temperatures. The melting point predicted by the various properties is consistent with each other and shows that the melting temperature increases with the particle size. We have calculated the Gibbs free energy for the Pt bulk and also for its nanoparticle. We have used the thermodynamic integration method to obtain the Gibbs free energy. The total Gibbs free energy is taken as the sum of its central bulk and its... 

Inert gold become catalytically active when dispersed in the form of nanoparticles. Isolated gold nanoparticles have demonstrated high catalytic activity for both oxidation and reduction reactions. In order to obtain high catalytic activity, gold nanoparticles are generally dispersed on support materials, among which oxides are commonly used. However, a substantial decrease in activity and selectivity of the immobilized catalysts is frequently observed due to the heterogeneous nature of these support materials in reaction media. In the course of our study on the metal-based catalysis for synthesis of organic compounds, we herein report that rod-shaped Au nanoparticles in aqua solution... 

Noble metallic nanostructures based on their localized surface plasmon resonance (LSPR) exhibit a phenomenon known as surface-enhanced Raman scattering (SERS) in which the scattering cross sections are dramatically enhanced for molecules adsorbed thereon. The enhancement factor (EF) in typical cases can reach 106 and in recent years, it has been reported that even single-molecule spectroscopy is possible by SERS, suggesting that the EF can be as much as 1014-1015. In this study, we report a simple method to synthesize nanostructures of Ag and Au on metallic wafers and semiconductor via electroless deposition method. This approaches has been demonstrated to deposit metal nanostructures, thin... 

Pure zinc coating and Zn-TiO2 composite coating were deposited from two methods: Direct and Pulse Current from a sulphate bath. D.C. section, current density and particle concentration in electrolyte were investigated. Moreover in Pulse section, frequency, duty cycle and maximum current density were investigated as parameters. Morphological properties of these coatings were investigated by FE-SEM and corrosion behavior by potentiodynamic polarization in 1M NaCl. In D.C. section, in investigation of the effect of current density, an optimum was observed in case of obtaining the highest amount of deposited particles at 0.1 A/cm2 and amount of 2.93%. This amount is the highest one in D.C.... 

Fullerenes are molecular solid materials which are composed of 3D closed shell carbon-only structure. As soon as mass production of fullerenes was performed, the synthesis and characterization of endohedral fullerenes having at least one non-carbon element in the hollow fullerene cage, was started (in which about 30 atoms inserted in it so far). Furthermore, because of low efficiency and purity of these nano-particles, nowadays characterization of fullerenes is one of the most important research fields. In this project, we firstly optimized the fullerene production parameters in an arc discharge reactor to reach convenient efficiency. Then, the synthesis of endohedral fullerene by vaporizing... 

This work investigates adsorption and possible dissociation of a number of small molecules on small clusters and carbonic surface. Theoretical study of carbon monoxide adsorption on SixGe4_x(x=0–4) nano-clusters has been carried out using MPW1B95 density functional. The geometry, adsorption energy, charge distribution, and vibrational frequency of CO adsorption on all possible structures were investigated. The maximum vibrational frequency changes occur in the bridge structures while the most stable structures occur when CO adsorbs on one silicon atom in a flat surface. Adsorption energies of CO on one Si atom are by far more negative than the corresponding value for on Ge atom. Theoretical... 

The aim of this project is investigation on synthesis and characterization of the TiO2-CNT nanocomposite films on aluminum substrate by sol-gel dip coating method. The pure TiO2 and TiO2-CNT nanocomposite layers were coated on aluminum substrate and heat treated in 400 C. In this work Ti-tetra isopropxide and different amounts of CNTs (5,10,15 %wt), were used for obtain the composites. The coatings were characterized by X-Ray diffraction (XRD) and the crystallite size of TiO2 was calculated by Scherrer formula. The corrosion properties of coating were examined by polarization test, and corrosion resistance of pure TiO2 was compared with TiO2-CNT coatings, and It showed that the composite... 

The present study aims at determining the elastic fields of ultra-small flaws and defects. These defects are often introduced undesirably in elastic solids during fabrication and their sizes are normally in the order of couple of nano-meters. In this work, the elastic fields around a circular nano-void subjected to a uniform farfield uniaxial tension, also the elastic fields of a nano-sized mode I crack under remote uniform loading are studied. In this paper the strain gradient theory developed by Mindlin and co-workers in 1960s is employed. According to this theory, the strain energy density assumes the form of a positive-definite function of the strain components and their first gradient.... 

Zinc–silicanano-composite coatings were produced by successive dip coatand sintering procedure from different sol-gel solutions. The surface and cross-sectional morphologies of Zn-SiO2 nano-particles (NPs) were examined using field emission scanning electron microscopy (FE-SEM). Corrosion resistance evaluated by means of polarization and electrochemical impedance spectroscopy showed that even thin films of Zn-SiO2 in orders of 200 nm can have corrosion rates as low as conventional hot dip galvanized steels. Multi-layers coatings have been studied and showed that 10 layers coating with the thickness of 2m has the lowest corrosion rate with the passive region in anodic branch. Corrosion...