Sharif Digital Repository

Peer-to-Peer networks are invented to enable participants (peers) to share their resources and find and use the shared resources of the others. So the main issue is the mechanism of finding granted resources of the other peers. In Peer-to-Peer networks, there is no central server to index shared resources of the peers. So peers should collaborate to provide a fully distributed mechanism for searching resources. Considering the huge size of peer-to-peer systems, it is apparent that efficiency of the search mechanism is very critical. In this thesis, to have efficient seach in Peer-to-Peer networks, we propose two approaches. Then based on these approaches, we propose the third approach to... 

In this thesis the effects of impurities and different defects on electrical and magnetic properties of monolayer and bilayer graphene is investigated. Calculations are performed using density function theory. Alloying monolayer graphene with boron and nitrogen the energy gaps of 0.7 and 0.6 eV are obtained, respectively. Moreover, we show that BN is a good candidate for opening the band gap in graphene. Alloying monolayer graphene with BN the energy gap of 1.2 eV is obtained. Another way of opening band gap is to somehow break the symmetry between layers of the bilayer graphene. By alloying one layers of bilayer graphene with B, N or B-N, although the symmetry of layers is broken, each... 

As steel shear walls are usually applied in the central cores of buildings (around the elevators and stairs), the use of opening as door is inevitable in steel shear wall spans. On the other hand, because of weakening the performance of steel shear walls due to the presence of these openings, it is necessary to apply stiffeners around it. The use of stiffeners around all sides of opening continued to beams and columns, is very expensive. Therefore, the necessity of studying on the effect of different arrangements of stiffeners on the behavior of steel shear walls is felt. In this research, a number of steel shear walls with different characteristics in terms of plate aspect ratio, location... 

Population growth require increasing demand of Energy. The fossil fuels are the main source of energy. However, they are main source of carbon dioxide emissions. Considerable amount of fossil fuels is used in the power plants. Increasing trend of electricity consumption as well as the lack of alternative fuels such as renewables in the short time will increase the consumption of fossil fuels and emissions. The most important greenhouse gas emitted from the power plants is carbon dioxide. That's why the separation of carbon dioxide from the gas stream of power plants is necessary.Separation of the carbon dioxide by adsorption is considered in this project both experimentally and... 

Catalytic esterification of acetic acid with 1-hexanol was investigated over polyoxometalates. H3PW12O40 and H3PMo6W6O40 polyoxometalates with keggin structures were synthesized. Catalytic activity and recyclability of them were improved by loading on the γ-Al2O3 with impregnation method and Cs, K and NH4 salts preparing.Catalysts were characterized by XRD, SEM, FT-IR, BET, DRS and NMR techniques. According to XRD's results, catalysts have ace-centered cubic crystal systems. Loading on supports and preparing the salts do not destroy the structures of polyoxometalates. SEM images show the uniformity of catalysts' surface and catalysts' fixing on the support. It was seen that the keggin... 

Ionic liquids due to their unique physical and chemical properties are widely used in various fields of chemistry and chemical engineering. Determining properties of ionic liquids can be difficult, time consuming or even impossible. In first step of this study the IL thermo database was chosen as source of experimental data of ionic liquids. Viscosity, density, surface tension and melting temperature of ionic liquids based on bis(trifluoromethylsulfonyl)imide anion with cations imidazolium, pyridinium, pyrrolidinium, piperidinium and ammonium were modeled using QSPR approach. Linear and nonlinear models were built by means of multiple linear regression (MLR), multilayer perceptron neural... 

Among the xenobiotic compounds, chlorophenols are considered to be as the most dangerous compounds for the environment and living organisms. These compounds are abundantly found in the wastewater of many chemical industry factories. In this research, by using Gaussian software and density functional theory at the level of B3LYP / 6-31G (d, p),the adsorption of molecules such as phenol, 2-chlorophenol, 4-chlorophenol and 2,4-dichlorophenol over graphene, nitrogen and boron doped graphene sheet are studied. The most stable configurations were determined and adsorption energies were calculated. In addition, to understand the adsorption mechanism, electron properties such as state density and... 

Thermodynamic quantities such as proton affinity (PA) and molecular basicity (GB) for (CaO)n nanoclusters with n=2–16 have been calculated using three computational models of the DFT (B3LYP, M06, PW91, CAM–B3LYP and ωB97XD functionals), MP2, and HF with the cc-PVNZ (n = D and T) basis set in the gas phase. Absolute deviation error (AAD%) indicates that obtained PA and GB values using DFT model and the B3LYP method with mean percentage errors of 0.77 and 0.90 %, respectively, have the higher accuracy than the other methods and models. Owing to the unique physical and chemical properties of ILs, can be used as catalysts, promoters and modifiers of catalyst in many organic reactions. Therefore,... 

The use of energetic ionic liquids as hypergolic fuels, has low toxicity and environmental risk relative the hypergolic fuels such as the hydrazine. In this research by using Gauss view and Gaussian softwares and density functional theory and MP2 methods at the level of B3LYP/6-311G(d,p), the proton transfer from the cations to anions for a set of hypergolic ionic liquids in the gas and solution phases were studied. The most stable configuration of cations and anions are determined. The interaction energies of the selected cations and anions, proton affinities and basicity properties of these hypergolic anions are calculated. The result represents that the lower proton affinity and basicity... 

Nanocomposite FeVO4/CeO2 was synthesized by hydrothermal method and was applied for removal of methyl orange. This nanocomposite was characterized by SEM, FT-IR, XRD, BET methods. SEM images showed that FeVO4 nanorode decorated on CeO2 spherical particles. The results of XRD patterns confirmed the triclinic structure for Fe(III)vanadate and the cubic fluorite structure for cerium oxide. The surface area of FeVO4, CeO2 and FeVO4/CeO2 was determined by BET analysis which the results represented an increase in surface area in nanocomposite using cerium oxide as support. The electro-Fenton reaction was performed in undivided electrochemical reactor using stainless steel electrodes and the...