Sharif Digital Repository

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 subject of this thesis to assessment environmental impacts of active desalination plants in Kish Island, which explains the problems derived from concentrate discharges in to the sea, sewage network, absorbing wells and ground surface.
It also studies its impacts on land and marine ecosystem and underground aquifers that are strategic resources in Kish Island. In addition, the environmental studies done in other countries, the existing regulations and by laws in the field of environmental impacts of desalination plants and concentrate discharges are re-mentioned. Concentrates contain chemicals, which are used in pre-filtration of MED and Ro systems, which are dangerous for marine... 

In this project, metal oxides loaded on different supports were used in the heterogeneous electro-Fenton (EF) process for organic pollutants removal. At first, Fe3O4/AC was synthesized for catechol degradation as a phenolic compound. 98.2% removal of catechol was achieved by operational conditions optimization. The catalytic activity of Fe3O4/AC was remained constant after 6 cycles. In the other study, reduced graphene oxide was used as a support for the magnetite nanoparticle catalyst. The catalytic activity of Fe3O4/rGO in EF degradation of reactive red 195 (RR195) dye was studied and 93.34% removal was obtained. Response surface methodology (RSM) was used and a quadratic model with... 

Moderate and Intense Low-oxygen Dilution(MILD) is the new member of combustion field. Highly preheated reactants and lowering the oxygen level in MILD combustion has some promising advantages. In this study the MILD burner, Jet-in-Hot-Coflow(JHC), is taken as the main test case. In this Research, Eddy Dissipation Concept combustion model ,introduced by Magnussen et al,is investigated in detail and governing equations are re-extracted. EDC combsution model due to moderate compuational cost in comparison with other combustion model and well prediction ability has drawn attention. Simulations on the Jet-in-Hot-Coflow(JHC) has shown the promising performance of the EDC combustion model. It seems... 

In this study, the recovery mechanism of nickel oxide by carbon dissolved in molten iron with the study of reaction kinetics were investigated. Nickel oxide pellets into molten iron containing graphite were added in the neutral atmosphere and the release of CO gas as a function of reaction time was measured until the end. The volume of gas produced at different times shows the number of moles of Ni metal was revived. Reaction by a) the following decomposition reaction under 1475 °C ; and b) carbon diffusion rate at temperatures over ° C1475 is controlled. The main reaction mechanism in order to a) decomposition of NiO; b) penetration of oxygen atoms in the melt, and c) reaction between... 

Formation acidizing is one of the best well stimulation methods to remove reservoir damage and improve recovery of oil and gas well. The proper design of acidizing operations can significantly improve the production of a formation. In the meantime, causing formation damage and precipitation in oil flowlines, which may be caused by the incompatibility of the stimulation fluid with the reservoir fluid and rocks, is one of the most serious problems in the operation, which reduces permeability and oil/gas production. As a result, the success of the acidizing operation requires to study the interaction of components of operation (acid, reservoir water, formation rock, and acid additive)... 

The aim of this study is to mimic water oxidizing complex to find new materials and also to understand their rules in this matter. To achieve this, manganese complexes containing 2,4,6-tris (2-pyridyl)-1,3,5-Triazine, 1,10-phenanthroline, 1,10-bipyridine, Schiff base, amino acids, 2,6-pyridinedicarboxylic acid, 2-pyridinecarboxylic acid have been synthesized and characterized by elemental analysis, IR, EPR, ESI-MS, electronic absorption spectroscopy, electrochemistry, X-ray diffraction and oxygen evolution in presence of oxone and Ce(IV). It is shown that the reaction between Mn(II) complexes containing 2,4,6-tris¬(2-pyridyl)-1,3,5-Triazine, 1,10-phenanthroline, 1,10-bipyridine,... 

In this research, the capability of an aerobic moving bed biofilm reactor (MBBR) for removal of phenol from Arak refinery dilute wastewater has been investigated. A cubical MBBR with approximate capacity of 10 liters was filled with Kaldnes-K1 biocarriers at filling ratio at 50 percent. Moreover, The MBBR which filled with actual refinery wastewater, combined with Flocculation and Coagulation in order to removing more COD, turbidity and TSS and also reaching to criterion that water can be used by cooling tower. The effects of Phenol concentration (10-100 mgl-1), COD concentration (50-500 mgl-1), Hydraulic Retention Time (HRT) (4-12 h) and Phenol shocks on the performance of MBBR were... 

Nowadays a major part of energy, fresh water and sewer water in over the world are transmitted by buried pipe, and always these lines are under the loads and different stresses such as corrosion, earth quick and etc.
In many countries the age of these lines are more than 30 years which causes corrosion of the pipe wall and the necessity of health investigating of transmission lines has a special importance for the governments and leak detection can also keep the natural environment healthyand the costs will come down significantly, scientists and researchers have always tried different ways to check the health of the pipes.
In the field of leak detection and the problems of age... 

In this thesis, physical properties and gas sensing application of three-dimensional graphene-based structures are studied. The three-dimensional structures of reduced graphene oxide and relative hybrids were synthesized through reducing graphene oxide aqueous solution. The arrangement of two-dimensional graphene layers in three-dimensional architectures has some advantages such as high surface area, hence increasing available adsorption sites. These properties result in changing electrical parameters of the structure, such as electrical impedance and phase angle in the presence of different mediums and alteration of temperature and pressure. Various characterization techniques like atomic... 

A microbial fuel cell (MFC) is a bioreactor that utilizes chemical energy in the chemical bonds of organic compounds to electrical energy production through catalytic reactions of microorganisms under anaerobic conditions. In this study, the performance of a dual chamber, mediator-less anode, graphite electrodes MFC employing mixed consortia as anodic inoculums and using a combination of formalin and glucose as substrate was investigated. Different MFCs with different concentration of formalin and fixed concentration of glucose was operated to elucidate the difference in power generation and removal of formalin as an industrial pollutant under similar operating conditions [ambient pressure;... 

Greywater accounts for about 70% of household consumption and can be returned to the consumption cycle if a sustainable system is built in residential areas and the treated water can be used for irrigation, flash tank filling, and even aquifer fillings. The purpose of this study was to establish a sustainable method in small treatment plants that could sufficiently recover the water used in households. In this study, chemical ways of wastewater treatment, as well as membrane filtrations, were investigated to reduce greywater pollution. The results show that the coagulants alone can remove 80% of COD. Membranes can also reduce COD by up to 83%. In addition, the best removal efficiency using... 

In this study, CoFe2O4/CuO nanocomposite was synthesized by hydrothermal method and utilized for removal of metronidazole in electro-Fenton process. Nanocomposite was characterized by FT-IR, XRD, FE-SEM, VSM and BET methods. The Results of XRD patterns confirmed the monoclinic structure formation for copper(Ⅱ) oxide and the spinel structure for CoFe2O4. The FE-SEM images displayed the formation of CuO nanosheets for copper(Ⅱ) oxide and the decoration of cobalt ferrite nanoparticles on the surface of CuO nanosheets. Measurement of the surface area of nanocatalysts using BET isotherm represented the high surface area for CuO nanosheets and the increase of surface area of nanocomposite in... 

Deep reactive ion etching is one of the most used techniques for manufacturing micro-structures. The most popular silicon DRIE technique is Bosch process. Ability to manufacture high aspect ratio features made Bosch process the main technique for developing micro-electromechanical devices. Dry etching is a combination of physical and chemical processes. The chemical processes play a very important role due to their speed of material removing and also due to their high selectivity. Also chemical processes are responsible for development of passive resist layer on the surface. On the other hand, if not controlled properly it can reduce anisotropy, resulting in a low quality etch. In this... 

Natural boron consists of two stable isotopes, mass 10 (19.3%) and mass 11 (80.7%). 10B isotope has a large thermal neutron capture cross-section and it therefore, used widely in such aspects as modern industry, military equipment, medical science and so on. specially the demand of atomic energy industry for the boron isotope is increased severely. So the separation of 10B from natural boron has received very wide attention at present. There are many kinds of methods on the boron isotopes separation, such as chemical exchange reaction and distillation in boron trifluoride method, ion exchange in boric acid solution method, counter current recycle membrane cascades in boron trifluoride... 

In this study, the use of a fixed bed of the Kaldnes commercial carrier in the activated sludge system has been investigated. In this way, at zero time, a submerged fixed bed of Kaldnes was placed into a completely mixed activated sludge reactor and its various parameters were investigated during the time. During the experiment, the fixed bed (Kaldnes carriers enclosed in a lace) with 20, 35 and 50 percentage of volumes were compared to regular activated sludge reactors (without any carriers). The studied parameters are COD, DO, MLSS, and P-PO43-. Input COD was changed at concentrations of 1200 and 400 mg/L, and the reactor hydraulic time was adjusted to 10 and 16 hours. It was observed that... 

Membrane bioreactors (MBRs) which are commonly understood as the combination of membrane filtration and biological treatment using activated sludge have several advantages, but membrane fouling reduces the membrane efficiency, permeability and lifetime. An alternative is replacing a moving bed biofilm reactor (MBBR) with the activated sludge system which may reduce the effect of membrane fouling. The sludge produced in MBBRs has poor settling characteristics, therefore, their efficiency is limited by the sedimentation tank performance and they require a larger settling surface. The combination of moving bed biofilm reactors and membrane bioreactors can compensate for the drawbacks of both of... 

Maghemite (γ-Fe2O3) nanoparticles were produced after high temperature oxidation of gelatin-Fe3O4 nanocomposite, obtained from a common coprecipitation process of Fe2+ and Fe3+ ions in an alkaline medium in the presence of a gelatin protein as an effective mediator. Size, shape, surface morphology and magnetic properties of the prepared γ-Fe2O3 nanoparticles were characterized using XRD, FTIR, TEM, SEM and VSM data. The results revealed that primary, gelatin-Fe3O4 nanocomposite had been formed and next, the gelatin decomposition in furnace produced a spinel structure of γ-Fe2O3. The effects of furnace temperature and time of heating together with the amount of gelatin on the produced... 

Optimized structure of the chlorophyll a and b molecules was obtained for LDA and GGA approximation by SIESTA package. Calculation illustrate that tails are curved in the optimized structure for both chlorophyll a and chlorophyll b molecules; in addition, Antennas, which are attached to the head of molecules, are located in optimized-spatial state. This optimized structure of chlorophyll a is similar to the calculated structure in ref [42]. Electrical dipole are calculated from ground state electron density of chlorophylls. Total electrical dipole of chlorophyll a for GGA and LDA approximation are 4.662 and 4.813 Debay, and these value for chlorophyll b are 1.435 and 1.302 Debay,...