Sharif Digital Repository

In recent years, the widespread investigation on multi-transition metal oxides that with two or more transition metal oxides, have been increased rapidly for electrochemical application due to low cost, high conductivity and good electrochemical performance other than single metal oxides. In this project, CuCo2O4 nanoparticles were firstly fabricated by decomposing of CuCo-MOF as the template. The as prepared samples were used to synthesis a new nanocomposite of MoS2 and CuCo2O4. The best ratio of the two component were optimized to prepare the best electrocatalyst for Hydrogen evolution reaction (HER). The structure of prepared nanocomposite were investigated by various techniques such as... 

Selective laser sintering is a technique which uses a laser as the power source to sintering some selected points at a bed of powder in order to create a solid structure. In this research the SLS mechanisms of powder deposition is simulated and surface smoothness and layer density created by each mechanism is computed. For this purpose roller, blade and hopper mechanisms are simulated. For this simulation, polyamide 12 (PA2200) which is a common material is used. In this simulation at first powder specifications are extracted according to the references and for particle shape instead of using the spherical particle shape we use a certain shape that is more close to reality which created by... 

Global energy consumption is on a trajectory to surge by 50% by 2050, primarily driven by prevailing energy consumption patterns. Consequently, the imperative to innovate and develop novel energy sources, such as the utilization of recycled waste heat, has become paramount for the foreseeable future. In light of this, this paper delves into the transformative potential of employing Phase Change Materials (PCMs) for cooling Thermoelectric Generators (TEGs) and harnessing waste heat for productive purposes. The research investigates three distinct configurations to evaluate the efficacy of PCMs in enhancing thermal management. Configuration 1 exclusively relies on an active cooling fan, while... 

This study was conducted to investigate a theoretical and experimental two-dimensional model of a floating fish cage in regular waves and uniform current. Due to the inefficiency of computational fluid dynamics (CFD) in solving such problems, developing a simple model to predict the results is highly advantageous. In this study, a simple mass-spring model was developed to simulate the problem. After validating the results of this simple model through a series of model tests in a wave tank, it was further utilized to extract additional results. Experiments were conducted at six different wave heights and four current velocities. In all experiments, wave steepness was maintained at a ratio of... 

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... 

Solute-solvent and solvent-solvent interactions were investigated in mixtures of ethylammonium propionate with methanol, ethanol, isopropanol and propanol. Solvatochromic parameters, including normalized polarity ( ), polarity/dipolarizability (p*), hydrogen-bond donor (a), and hydrogen-bond acceptor (ß) abilities, were determined in these mixtures. Parameters showed synergetic effects in mixtures of ionic liquid and alcohols due to the preferential solvation. General polarity shows an ideal behavior in all mixtures, polarity/dipolarizability exhibit increasing profile in all mixtures preferential salvation caused nonideal behavior for hydrogen-bond acceptor parameter Solvent... 

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... 

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... 

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... 

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... 

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... 

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... 

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... 

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... 

Solute-solvent and solvent-solvent interactions were investigated in mixtures of 2-hydroxy ethylammonium formate with methanol, ethylene glycol and glycerol. Solvatochromic parameters, including normalized polarity ( ), dipolarity/polarizability (π*), hydrogen-bond donor (α), and hydrogen-bond acceptor (β) abilities, were determined in these mixtures. parameters showed synergetic effects in mixtures of ionic liquid and alcohols due to the preferential solvation. Experimental data were handled in Redlich-Kister model and demonstrated a fair correlation with predicted data. Solvent effects on reaction kinetics were studied in aromatic nucleophilic substitution reaction of 2-Chloro-3,5-... 

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... 

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... 

Nowadays environment is under demolition from various aspects which the chemical pollution can be mentioned as an example. The aim of this research is to eliminate the 4nitrophenol as a pollutant through catalysis process. In the current study, to synthesis of the gold nanoparticles on the modified molybdenum de sulfide with nickel (MNi/MoS2 (M=Au, Pt)) an effective method was utilized. In the following, the structural and morphological features of the synthesized nano composites (MNi/MoS2) via different microscopic and macroscopic methods be identified. Obtained results from identification of the materials demonstrated the expected catalysts were synthesized successfully. Finally, to...