Sharif Digital Repository

In this thesis, Fe3O4 magnetic nanoparticles were produced using co-precipitation method. The surface of these magnetic nanoparticles is modified by ionic-liquid groups, and then coated with Cu, Au and Ag metals. These nanoparticles were unstable before their surface modification, so that they were easily agglomerated. However, after their surface is modified with ionic-liquid, they become very stable and are easily solved in polar and non-polar solvents. This solubility depends on the alkyls groups connected to the ionic-liquid. Magnetic nano composites Fe3O4/X (X=Ag, Cu, Au) modified by ionic-liquid are prepared by absorbing Cu(NO3)2, HAuClO4 and AgNO3 salts on the surface of modified... 

Computational chemistry is used to study solvent and substituent effects on kinetics and mechanism of some organic reactions. It also is used to study enzyme reactions and enzyme structures. Organic reactions were studied by ab initio quantum mechanics and Monte Carlo simulations. The enzyme studies were done by QM/MM and MD methods in Lund University. The studied organic reactions are 1) Reactions of hydroxylamine and aminoxide anion with methyl iodide. 2) Rearrangement of allyl p-tolyl ether. 3) Reactions of 1,4-Benzoquinone with Cyclopentadiene and Cyclohexadiene derivatives and reaction of cyclopentadiene and vinyl acetate. In the enzyme studies the catalytic reaction of Glyoxalase... 

Nanosized CdS coupled TiO2 nanocrystals were prepared by a microemulsion-mediated Hydrothermal method at relatively low temperatures. Modification of this nanocomposite with Tyrosine,Phenylalanine,Glysine and Glutamate ,especially Tyrosine resulted in enhanced photocatalytic degradation rate of Nitrobenzene( NB ) compared to using CdS-TiO2 under visible light irradiation. The prepared samples were characterized by BET,SEM, XRD, UV–Vis spectroscopy ,FTIR .It was found which have high surface area about 470 m2 g−1 and mesoporous character with the average pore diameter of 2.8 nm.The results showed this nanocomposite consisted of uniform anatase TiO2 with highly dispersed cubic phase CdS... 

Antioxidants are compounds which prevent free radicals from aggregation and formation in body cells. vitamin C, E and carotene are among the most important antioxidant that have reduction properties. free radicals have great chemical reactivity which can react with different types of compound in human body such as lipids, cell membrane and proteins and cause different illnesses. Antioxidants with various mechanisms such as hydrogen atom transfer, single electron transfer SPLET, sequential proton loss electron transfer and radical adduct formation can stable free radicals and also become non-active compounds, antioxidant properties of these compounds related to structure and their functional... 

In this project, TiO2 nanoparticles were prepared by the sol gel method. The band gap of TiO2 was modified with transition metal ions Pt, Pd, Ni. The kinetics and photocatalytic degradation of AB92 investigated. The effect of some parameters such as pH and amount of photocatalysis and calcination tempreture were examined. Also effect of transition metal increase on surface morphology and photocatalytic activity were investigated by XRD, BET, SEM, DRS and FT-IR Techniques. Dyes are an abundant class of colored organic compounds that represent and increasing environmental danger. Azo dyes are well-known carcinogenic organic substances. Advanced oxidation processes (AOPs) have been proposed as... 

In this project, the catalytic properties of CuO and ZnO were investigated in reduction reactions.MOFs were used as a precursor to preparation of these metal oxides. Gold and silver nanoparticles were used to improve the catalytic properties of the prepared metal oxides. Structural characteristics of nanocatalysts were stydied by SEM, TEM, XRD and FT-IR techniques. The prepared nanocomposites were applied in the catalytic reduction of paranitrophenol in the presence of sodium borohydride and the kinetics and mechanism were investigated according to the structure of the prepared catalysts  

Pure NanoParticles of TiO2 and Nanocomposite catalysts of TiO2 , activated carbon (TiO2/AC) and multi-walled carbon nanotube (TiO2/MWCNT) were prepared by a sol –Gel method using TetraisoPropylorthotitanat (Tipt) as a precursor. The catalysts were characterized by x-ray diffraction (XRD), scanning electron microscopy (SEM), diffuse reflectance uv-vis spectroscopy (DRS) and N2 adsorption – desorption measurements. The photoactivity of samples was evaluated by Acid Blue 92 (AB 92) degradation. The analysis results show that compared with pure Nanoparticles of TiO2, the spherical – shaped TiO2 particles are well – dispersed in TiO2/AC. In TiO2/MWCNT, the coating has special mechanism that... 

In this projekt, nanophotocatalysts containing metal oxides and oxy-acids based on the nanoporous materials were synthesized. The photocatalytic properties of the prepared samples were evaluated by the photodegradation of day moleculs in photocatalytic systems. The catalytic results revealed that Ag3VO4/Cu-MOF/rGO exhibits noticeably an improvement in both efficiency and rate of AB92 photodegradation in comparison with the pure Ag3VO4. Using different scanning mechanisms for the catalytic properties of the synthesized nanocomposites, it was clearly demonstrated that the anionic superoxide plays a decisive role. Reduction of 4-NP in the presence of NaBH4 was also used to investigate... 

Different nanocomposites were prepared based on the carbon nitride, structures and metal organic framework. The photocatalytic activities of a group of metal-organic metal frameworks were evaluted. Next step, the combination of binary and ternary composites based on carbon nitride/metal-organic frameworks structures with other semiconductors such as oxyacid, bismuth oxy halide and ferrite spinel was used. In addition, synthesis of varius type of metal oxides structures with metal organic framework precursors has also been another perpuse of this thesis.The catalytic and photocatalytic activities of designed nanocomposites were performed for a redox process (4-nitrophenol (4-Nip) to... 

Polyagent photocatalysts based on the zeolite including TiO2, Ag and AgBr prepared by Sol-gel method. Ag and AgBr prevent of electron-hole recombination and enhance photocatalytic activity. Prepared catalysts were characterized by different analysis method including XRD, SEM, EDX, FTIR and BET techniques. Catalyst activities were investigated from two aspects: in first step the activities of catalyst were investigated for degradation of AB92 dye. The effect of different factors such as: catalyst concentration, dye concentration, pH and scavenger (sodium thiosulphate) on efficiency and reaction rate were investigated. The optimazed values for all conditions specified, then catalyst activities... 

In this project ionic liquid and there mixtures were coated on Pt/ Al2O3 , the prepared catalyst were characterization by SEM, BET and XRD techniques.In the first stage the effect of the coated ionic liquid on the Pt/Al2O3 were investigated, on the rate of C=C hydrogenation. in the second stage effect of the thickness of ionic liquids on the rate of the cyclohexene hydrogenation were studied. Result revelad that by increasing the ionic liquid polarity, the reaction rate increased. Also the reaction rate decreased by increasing the thickness of ionic liquid  

Selective oxidation of cyclohexene and styrene were investigated using molecular oxygen under mild conditions. Au/TiO2 and Au/Al2O3 surfaces were impregnated with three different Ionic Liquids. Supported Ionic Liquids gold nanocatalysts are particularly versatile catalysts for oxidation reaction with exceptionally high efficiency and significant selectivity.
Selective oxidation of alkenes by hexadecyl-trimethyl-ammonium bromide-stabilized gold nanorods and gold nanosphere were investigated using molecular oxygen in aqueous solution under mild conditions. Colloidal gold nanoparticles are particularly versatile catalysts for oxidation reaction with exceptionally high efficiency and... 

In this project the RGO/Ag2O/g-C3N4 nanocomposite was synthesized, and characterized by different technique such as SEM, XRD, and FT-IR. Then its photocatalytic activity was investigated. The degradation percent for Acid-Blue 92 by this photocatalyst was estimated 81 in 45 minutes. Afterward, the photocatalyst activity was determined in different pH including 4, 7, 10. The best result was for pH=7. Then, the increasing concentration of dye were investigated and the results show that by increasing the concentration of 10 to 30 ppm, the photocatlytic activity decreased. Photocatalytic degradation process of AB92 were also carried out at different amount of photocatalyst. The mechanism of... 

Thermodynamic, structural and transport properties of ester-functionalized ionic liquids (ILs), also kwon as biodegradable ILs, were extensively investigated using molecular dynamic simulation. Thermodynamics features of this class of ILs were computed from 1.5 ns simulations. Nanoscale organization of these ILs was evaluated by computing several structural properties. The formations of micelle-like nanostructures were disclosed from the achieved results of structural properties. The obtained results were also confirmed by calculating transport traits. These results suggest that the incorporation of an ester group into the alkyl side chain of the cation promotes the cation–anion interionic... 

Bimetallic nanoparticles with unique structure, synergistic effect between two metals, and the tunable physical/chemical properties have been used for catalysis. Various methods exist for the staibility, and improvement of the catalytic performance of nanoparticles. In this thesis, different co-catalysts were applied to increase tha staibility, and activity of nanoparticles and metal oxides. In this way, Ni-based bimetallic nanoparticles including CuNi, CoNi, and AgNi, and AgPt with different concentrations were synthesized on the cerium oxide nanorods derived from cerium metal-organic frameworks and magnetic graphene oxide nanosheets, respectively and characterized. The catalytic... 

In this work, butyl methylimidazolium tetrafluoroborate and butyl methylimidazolium hexafluorophosphate are used as ionic liquid and lithium perchlorate and lithium hexafluorophosphate as lithium salt. Dimethyl carbonate and propylene carbonate are used as solvent to prepare diffrent kinds of organic - ionic liquids solvent for lithium ion batterries. In preliminary expriment it was distinguished that in the mixture of organic solvent lithium hexaflourophosphat has more conductivity in comparison with lithium perchlorate. There for,in this work, all organic-ionic liquid solvent electrolytes are considered based on lithium hexaflourophosphat salt. Different compositions of organic-ionic... 

Coral reef waters are called rainforest. The importance of coral reef waters is related to their diversity and millions species. According to incremental development of Kish Island, specially the west part of this island contributed to Tourism industry which is affected by dredging, sediment discharge in coastal area, constructing waterfront, the flows close to the beach due to breakwater and eutrophication. This Island includes marine resources and many biodiversity .So the management of marine environment is needed to be considered. Iran as a rich country due to coral reefs is considered as a most valuable marine environment in Persian Gulf. The process of polluting Persian Gulf is... 

In this study various ionic liquids (ILs) and their mixtures were coated on Pt/Al2O3 catalyst and the resulted IL-coated catalyst were used in synchronous hydrogenation of cyclohexene and acetone. The rate constants (k) and seletivities (S) toward C=O hydrogenation were determined for several catalysts in various solvents. The solvatochromic parameters (ETN, normalized polarity parameter; π*, dipolarity/polarizability; β, hydrogen- bond acceptor basicity; α, hydrogen-bond donor acidity) were determined for used ILs and solvents and all obtained selectivities were modeled based on solvatochromic parameters of IL layer and bulk solvent using Multiparameter Linear Regression (MLR) method for... 

Amyloid β (Aβ) peptide is believed to be associated with the progression of Alzheimer's disease. One of the main obstacles in developments of therapeutic agents to combat progression of Alzheimer's disease, is the presence of the blood–brain barrier (BBB), which prevents the penetration of the majority of drugs. However, nanoscale objects are able to cross the BBB at low concentrations. Therefore, it is worthwhile to study the interactions of these peptides at the interface of nanomaterials. In this work we have employed molecular dynamics, and weighted histogram analysis methods in order to study the dynamic behavior and affinity of Aβ25-35 peptide on metallic surfaces of different... 

In this work ،we used the hydrothermal method for prepared the Bivo4 nano particles. For the best photocatality property these nano particles stabilized on the different basis. This catalysis characterized by UV-vis, XRD, BET, FTIR and SEM. The size of zeolites catalyst were 22 nm and size of Bivo4 were 54 nm and the SEM showed that the BivO4 were sphere. By addition of BiVO4 nano particles to the surface of zeolite, the surface area was increase, but addition of BiVO4 nano particles to surface, the average of holes size decreased and distribution of holes will be monotonous and the surface area increased. In the continue for investigation of photo catalyst activity of nano particle, we used...