Sharif Digital Repository

In this thesis, adsorption of Carbon monoxide and Hydrogen on graphene, by DFT calculation has been studied. Also effect of strain on some electrical properties, such as band structure, electrical conductivity and Density of states, for pristine graphene and adsorption CO and H2 on it has been probed. This results show that with strain up to 12% on pristine graphene , we won’t have any band gap on Fermi surface and energy adsorption for Carbon monoxide on strained graphene (up 12%) increase up 400 per cent. Also for strained graphene (12%) on Carbon monoxide adsorption condition we will have energy band gap almost a few electron volt on Fermi surface. In general this results express... 

Measuring the human brachial arterial diameter has significant applications in medical research. This is conventionally carried out using ultrasonography which is costly and operator-skill dependent. The objective of this project is to come up with substitute solutions based on optical measurement. Reflectance photoplethysmography (PPG) over the radial artery has been considered to this end. Monte Carlo method has been employed to simulate light propagation in the wrist area, along with a model comprising tissue, artery and bone, made of simple solid geometries. Functions of optical parameters such as refractive index, absorption coefficient, scattering coefficient and anisotropy factor have... 

Off-gas flows in refineries normally consist of hydrogen, methane and heavy hydrocarbons which are burnt in flare. While the demand for hydrogen in refineries is increased and the required hydrogen is provided by steam reforming or partial oxidation of methane or other hydrocarbons, recovering the hydrogen from off-gasses can reduce the refineries losses and optimize it economically. The four main processes for hydrogen recovery unit are the Pressure Swing Adsorption process, Membrane process, Cryogenic process, and absorption process. In the present project besides, considering the process flexibility, reliability, and refinery off-gas properties such as pressure, temperature and mole... 

In this work, graphene oxide (GO) and Amino ethyl phosphonic acid (AEPA) functionalized graphene were synthesized using chemical method. In addition, reduced graphene was prepared by chemical and supercritical methods. Physical, chemical, morphological properties of as-synthesized materials were investigate using XRD, FTIR, RAMAN, UV, TEM, TGA, and BET. Thickness of monolayer GO which synthesized using Hummer’s method was evaluated 1 nm using AFM. FTIR and CHN results were affirmed the presence of AMPA onto graphene nanosheets. Adsorption properties of functionalized graphene for Th ions from aqueous solution was examined. Isotherm adsorption results demonstrated that maximum adsorption... 

In this project, the feasibility of hydrocarbon waste water treatment with low concentration by physical- chemical treatment methods will be discussed. The purpose of this thesis is to investigate the feasibility of reusing the water outlet of the oil and gas refineries, in the region of ASALUYEH where there is an urgent need for water. By using activated carbon and wooden absorbent (absorption method) efficiency of this method was determined. Both coagulation and flocculation methods were investigated. To design and optimize various operating conditions on the adsorption process the RSM method was used. Temperature, residence time, feed concentration, amount of adsorbent, and adsorbent ... 

Activated Carbon as a highly efficient and low price absorbent has manifold functions in separation and absorption processes in liquid or gas phases. These applications in liquid phase include bleaching in sugar syrup, water and wastewater treatment and in gas phase utilizing them in gas masks and solvent recycling process. Wide variety of base materials could be used to produce activated carbon. For instance rare cellulose materials -wood, coconut shell, Pyrenees and agricultural wastes-, carbon materials-coal, petroleum coke, tar- and polymer materials- tires and plastics wastes- could be mentioned. In this thesis, feasibility of producing activated carbon based on using walnut, almond... 

One of the most important EOR methods in oil reservoirs is surfactant and polymer flooding. Surfactants cause decreasing in interfacial tension between oleic and aqueous phases. However, polymers give us efficient mobility control in displacing oil by increasing the viscosity of aqueous phase. Therefore, oil is displaced in aqueous phase by viscous forces.
One of the most important challenges in surfactant flooding is adsorption. The net surface charge distributed on the rock surface depends strongly on pH. When we inject surfactant in reservoir, electrostatic charge on rock surface causes the first-layer adsorption. After that we have had second-layer adsorption.
In this thesis we... 

In recent years, parallel to the development of industrial, the use of organic solvents and the environmental pollution caused by their increasing, more attention to remove these contaminants growing. Among the various absorbents to absorb pollutants from the environment, iron oxide nanoparticles have many applications in absorption and removal of environmental pollutions due to their high specific surface area, magnetic properties and ease of separation. The aim of this research is synthesis of a magnetic gel for absorption of organic solvents which in its structure magnetic nanoparticle and hydrophobic monomer is used. The most important advantages are the ease of isolation of the desired... 

Purification of waste water containing metal ions, is one of major environmental problems which have threaten human’s life, other creatures and even agricultural products by means of polluting suberranean water. Copper ion is one of dangerous heavy metals that exists in potable water and agricultural uses, due to serious problems in health of humans and aquatic. In recent years, different methods for purification of waste water containing heavy metal ions have been published. Right now, thorough these methods such as: filtration, coagulation, precipitation and adsorption are being used, which have their own advantages and disadvantages.In this research, new method for purification of waste... 

Brines are one of the main resources for lithium extraction and Iran has got many high magnesium and low lithium brine resources. In order to extract lithium, it is required to carefully identify these resources and their associated compounds and then an appropriate method can be adopted to extract lithium. Among the Previous researches, Bahadori, Jandaghi and Moazeni developed methods for removal of undesirable brines elements, Deposition of lithium from refined brine and lithium adsorption anatase ion-sieves membrane respectively; in this study it has been tried to investigate the optimization of the adsorption process, onto the TiO2-B ion sieve with nanotube morphology. TiO2-B nanotubes... 

In this study, a comprehensive 2D mathematical model has been developed for the simulation of physical and chemical absorption of carbon dioxide in hollow fiber membrane contactors in the presence of nanoparticles. The model were developed by considering molecular diffusion in radial and axial directions as well as non-wetting conditions. Carbon dioxide absorption was simulated from a gas mixture containing carbon dioxide and air, that flows in the shell. Also, absorbent containing nanoparticles flows in tube side and counter currently. Effects of presence of nanoparticles were modeled by taking into account two prominent mechanisms proposed in the literature for mass transfer enhancement in... 

In this study nano zeolite was hydrothermally synthesized in order to remove ethyl and methyl mercaptans from propane and butane stream. Fifteen experimental runs were conducted using D-Optimal method experimental design to synthesize NaY, NaX and NaA zeolites. The products were characterized by measuring the morphology, particle and crystal size, surface area, adsorption isotherm, pore size, and pore volume of the products by XRD, FE-SEM, TEM and BET analyses. The pore size for NaA type zeolites is about 4 Angstrom whereas the molecular size for ethyl mercaptan and methyl mercaptan is between 4 and 5 Angtrom, Therefore, NaA zeolite is inappropriate for removing ethyl and methyl mercaptans... 

Platinum(II) complex [Pt(Carb-PPh2)Cl] (1) (Carb-PPh2 = 1,8-bis(phosphino)-3,6-di-tert-butyl carbazole) was synthesized from the reaction of K2[PtCl4] salt with PNP carbazole-based pincer ligand, 1,8-bis(phosphino)-3,6-di-tert-butyl carbazole (c) and LiHMDS in a 1:2:1.1 molar ratio. The structure of 1 was characterized by X-ray crystallography in solid state, NMR spectroscopy, UV-Vis spectroscopy, and photoluminescence spectroscopy in solution state. Platinum(II) complex [Pt(Carb-PPh2)(C≡CPh)] (2) was prepared from the reaction of complex 1 with phenylacetylene with a 3:1 molar ratio in the presence of CuI as a catalyst and triethylamine. Complex 2 was identified by NMR spectroscopy, UV-Vis...