Sharif Digital Repository

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... 

In this work, carbon nanotubes (CNTs) were synthesized via arc discharge in an aqueous solution. The role of iron catalyst in CNTs formation was investigated utilizing arc discharge in iron salts solution (Fe2(SO4)3 and FeCl3). Thermogarvimetric (TG) analysis showed the presence of multi-layered structures including multi-walled carbon nanotubes (MWCNTs) and multi-shelled graphite particles when processing was performed in DI-water. In the presence of iron ions, single-walled carbon nanotubes (SWCNTs) and double-walled carbon nanotubes (DWCNTs) were formed. The effect of iron ions (Fe3+) concentration on CNTs yield was investigated by Raman spectroscopy. The highest yield was obtained when... 

In this work, multi-walled carbon nanotubes (MWCNTs) and single-walled carbon nanotubes (SWCNTs) were synthesized in an aqueous solution of iron chloride and solfate via arc discharge. Thermogravimetric (TG) analysis showed that the multi layer structures including carbon nanotubes (CNTs) and multi-shell graphite particles were formed when DI-water was used. SWCNTs were synthezied in the presence of the iron ions. The effect of [Fe3+]/[Fe2+] ratio on the CNTs yield were investigated. Raman spectroscopy investigations showed that the highest yield was obtained when the ferric to ferro ratio was one. When the concentration of Fe3+ ion was higher than that of Fe2+, many short tubes were... 

Hydrogen fuel cell is one important choice to supply energy for vehicles in near future. The lack of a safe but inexpensive technology to store hydrogen in a vehicle tank is a serious challenge to commercialize the application of fuel cells. Past experiments have shown that carbon nanostructures, especially single walled carbon nanotubes, have considerable capacity to boost up hydrogen storage. Therefore, many studies have been performed to investigate the possibility of higher hydrogen storage capability using nanostructures for the past decade. Molecular dynamics method which is considered as one of the most important tools in studying nanostructures has shown vast applications in these... 

Purified RIPI–CNT was used as support material for the preparation of cobalt FTS catalysts. Carbon nanotubes supported catalysts (S1–S4) were prepared with loadings of 15, 20, 30 and 40 wt.%. The FT synthesis was carried out in a fixed-bed micro reactor. Deactivation factors of cobalt catalysts supported on carbon nanotubes in FT synthesis is investigated. Using carbon nanotubes as cobalt catalyst support was found to cause the reduction temperature of cobalt oxide species to shift to lower temperatures. The strong metal-support interactions are reduced to a large extent and the reducibility of the catalysts improved significantly. Then, the main reason for the catalyst deactivation will be... 

Polyamides have found great attraction in the wide variety of application due to their desireable and tribological properties and appropriate processability. Due to their low mechanical strength reinforcing of these types of polymers has always been one of the important academic and industrial issues. In order to improve mechanical properties of such polymers, different kinds of reinforcement particles such as titaniom diaoxide, Nano clay, glass fibers (Short or long glass fiber), etc were used. Carbon nano tubes have high thermal and electrical conduction and mechanical properties; they are widely used as a reinforcement particle for polymer matrix. In this study, carbon nano tube and... 

In this investigation, hydroxyapatite-carbon nanotube nano composite coatings were applied on the 316L stainless steel implants. After polishing with 1200 sand paper, stainless steel implants were coated via dip coating method. The specimens were heat treated at 350˚C after being coated with HAP and HAP-CNTs composite. In vitro test was done in simulated body fluid (SBF) in 1 to 4 weeks periods. XRD evaluation of powder obtained from sol-gel process, showed the presence of HAP and CNTs in the powders. Comparison of XRD results of HAP and HAP-CNTs powders showed the better crystalinity of composite hydroxyapatite. After in vitro tests, specimens were studied with atomic force microscope (AFM)... 

Nanotechnology is the knowledge of future. Some people Compare the initialization of nanotechnology to the beginning of the industrial revolution. Experimental modeling of nano-materials can be so expensive, but, with the aid of computational nanomechanics, we can perform less experiments and more numerical simulation. In the past decades, applications of nanotubes in medicine, electrical engineering, mechanical engineering, building nano sensors, nano engines and etc caused a pervasive study on the mechanics of carbon nanotubes. In this Thesis, the writer has implemented the Tersoff interatomic potential to perform molecular dynamics simulations of carbon nanotubes. In this work, tensile... 

In this research UHMWPE/MWCNT nanocomposites with different concentrations of nanotubes (0.5, 1.5, 2.5, 3.5 wt %) were prepared via in situ polymerization using a novel Bi-supported Ziegler-Natta catalytic systems. Magnesium etoxide and Multi wall carbon nanotubes functionalized by hydroxyl groups were used as supports of catalyst. TiCl4 accompanied by triethylaluminum constituted Ziegler-Natta catalytic system. Preparation of catalyst and polymerization were done in slurry phase under the argon atmosphere. Support of catalyst on MWCNT was investigated using Fourier Transform Infrared Spectroscopy (FTIR). The results confirmed interaction between catalyst and hydroxyl groups on the surface... 

We studied porous silicon as a resistive gas sensor at room temperature. Meso- and macro- porous silicon were formed by electrochemical etching of single crystal silicon wafers in different conditions. For Meso porous Si we used p+-type wafers as substrate and for macro porous Si formation n- and p-type wafers were used. The mechanism of methanol vapor sensing was studied by Scanning tunneling spectroscopy and Fourier transform infrared spectroscopy. The results showed that methanol increases partial oxidation of surface and causes increase of defect density. These defects play important role to trap electrons and create “acceptor surface states”. These acceptor surface states in p+-type... 

First, we peruse the intraction between a quantized light and a two level atom which has been described by Janes-Cummings-Paul Hamiltonian. By solving Heisenberg equations in Fourier space and describing electric field by a generalized-transverse Green function, we obtain spectral density for a quantum dot which is in the strong coupling to a slab photonic crystal cavity. Afterward, by solving Shrouding equations precisely we demonstrate when quantum dot is in a very strong coupling to cavity, rotate wave approximation is not reliable anymore. It means that if coupling constant gets comparable to cavity mode frequency then the prevalent approach to solve this Hamiltonian will not be correct.... 

In this project, two multiscale modeling procedures have been implemented to study the mechanical behavior of SWCNT/polymer composites. First, a new three-phase molecular structural mechanics/ finite element (MSM/FE) multiscale model has been introduced which consists of three components, i.e. a carbon nanotube, an interphase layer and outer polymer matrix. The nanotube is modeled at the atomistic scale using MSM, whereas the interphase layer and polymer matrix are analyzed by the FE method. Using this model, we have investigated the macroscopic material properties of nanocomposite with and without considering the interphase and compared the results with molecular dynamics (MD) simulations.... 

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... 

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... 

This thesis is devoted to the simulation of biomolecules manipulation using Molecular dynamics (MD). In order to investigate the manipulation behavior, we have used the Ubiquitin as biomolecule, a single-walled carbon nanotube (SWCNT) as manipulation probe, a graphene sample as substrate. Along this line, a lot of simulations are conducted to study the effects of different conditions on the success of manipulation process. These conditions include tip diameter, vertical gap between tip and substrate, initial orientation of protein, and the simulation environment (dry or wet). The results demonstrate that tips with bigger diameters and smaller distances with respect to the substrate increase... 

In this study, thermal and rheological properties of nanofluids of water/carbon nanotubes, water/spherical silica nanoparticles and water/hybrid nanoparticles (hybrid of carbon nanotubes and spherical silica nanoparticles) have been investigated. To do so, carbon nanotubes have been synthesized by CCVD process and spherical silica nanoparticles and hybrid nanoparticles by wet chemical method. After synthesis of nanomaterials, nanofluids have been prepared by using SDBS as a dispersant with the concentration of 1.5 times of concentration of nanomaterials and then thermal conductivity, kinematic viscosity, dynamic viscosity and density of nanofluids have been investigated. As the results show,... 

In the preparation of nanocomposites, the multi-walled carbon nanotubes (MWCNTs) functionalized by hydroxyl groups were used. Subsequently, the polyethylene/multi-walled carbon nanotube (PE/MWCNTs) nanocomposites were prepared via in situ polymerization technique. In this study, effect of MWCNTs on the thermal degradation of these PE/MWCNT nanocomposites was investigated; the thermal degradations of pure PE and PE nanocomposites with different concentrations of nanotubes (0.5, 1.5, 3.5 wt %) have been studied by using thermal gravimetric analysis (TGA). Samples were heated to 700˚C at different heating rates (5, 10, 15, and 20˚C/min). TGA was used to investigate the effect of the MWCNTs on... 

In 2002 Baskaran and Jafari published an article that was about a spin-1 collective mode. Similarity between carbon nanotubes and graphene was a motivation for working on this project, in order to find another spin mode by considering random phase approximation as a simple way of finding collective motion of a physical systems. Moreover rolling graphene sheet induce diffrent physical properties as a result of chiral axis . In this project we focus only on achiral nanotubes and at last find two collective modes in this structures  

In this research polypropylene/carbon nanotube nano composites were prepared via in situ polymerization using Bi-supported Ziegler-Natta catalytic systems. Magnesium etoxide and Multi wall carbon nanotubes(MWCNT) functionalized by hydroxyl groups were used as supports of catalyst. TiCl4 and TiBA were used as catalyst and co catalyst respectively. After defining the polymerization optimum conditions and considering its parameters constant, nano composites with different carbon nanotube contents were produced by changing the polymerization time. Scanning Electron Microscopy (SEM) images certified very good dispersion of MWCNTs throughout polypropylene matrix. The thermal properties behavior of... 

In this research, the instability analysis of single-walled carbon nanotubes (SWCNTs) and graphitic shells conveying fluid is investigated based on the molecular structural mechanics. Using the reduced order models for fluid and structure, the dynamic behavior of carbon nanotubes (CNTs) conveying fluid is accurately modeled via a few number of lowest flow modes and natural frequencies and mode shapes of CNTs structure. In addition, the boundary element method (BEM) is used to model the potential flow. The molecular mechanics (MM) model is applied to modal analysis and driving the natural frequencies and mode shapes of SWCNTs. The effect of chirality on flow-induced instability is taken into...