Sharif Digital Repository

Zeolite-based photocatalysts were prepared by the sol-gel and deposition methods. The photocatalysts were characterised by X-ray diffraction, nitrogen adsorption-desorption isotherms, FTIR spectroscopy, scanning electron microscopy and energy-dispersive X-ray spectrometry. The activity of the prepared photocatalysts was evaluated by the UV-induced degradation of acid blue 92, a textile dye in common use. The effect of various parameters, such as catalyst concentration, initial dye concentration, thiosulphate concentration and pH, on the rate and efficiency of the photocatalytic degradation of acid blue 92 was investigated. The results showed that each parameter influenced the degradation... 

Selective oxidations of alkenes 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 significant selectivity. Gold nanorods (Au NRs) exhibited a slightly enhanced activity compare to gold nanospheres  

Rate constants, k A, for the aromatic nucleophilic substitution reaction of 2-chloro-3,5-dinitropyridine with aniline were determined in different compositions of 2-propanol mixed with hexane, benzene, and 2-methylpropan-2-ol and 1-ethyl-3-methylimidazolium ethylsulfate ([Emim][EtSO4]) with dimethyl sulfoxide at 25°C. The obtained rate constants of the reaction in pure solvents are in the following order: 2-methylpropan-2-ol > dimethyl sulfoxide > 2-propanol > hexane > benzene > [Emim][EtSO4]. Molecularmicroscopic solvent parameters corresponding to the selected binary mixtures were utilized to study the kinetics of a nucleophilic substitution reaction in order to investigate and compare the... 

The microscopic features of binary solvent systems formed by molecular solvents (methanol, ethanol, 2-methylpropan-2-ol, water, pyridine, acetonitrile, 1-propanol, 2-propanol, dimethylformamide) and the ionic liquid ([bmim]BF4) as cosolvent were used to select mixed solvents with particular characteristics. Molecular-microscopic solvent parameters corresponding to these binary mixtures were utilised to study the kinetics of the nucleophilic substitution reaction between 2-chloro-3,5-dinitropyridine and aniline to investigate and compare the effects of the solvents on a model chemical reaction. For these mixtures, the solvation behaviour is dominated by both the dipolarity/ polarisability and... 

Structural and molecular-microscopic properties of the solvatochromic probes 4-nitroaniline, 4-nitroanisole, and Reichardt’s dye were investigated in binary mixtures of ethylammonium propionate with methanol, ethanol, 1-propanol and 2-propanol. Solvatochromic parameters (α, hydrogen-bond donor acidity; β, hydrogen-bond acceptor basicity; π*, dipolarity/polarizability; ENT , normalized polarity parameter) in different binary mixtures of ionic liquid with molecular solvents were determined with UV–Vis spectroscopy. The ENT parameters show nearly ideal trends in all solvent mixtures, but the other parameters show different behavior in the mixtures. The π* parameters show a negative deviation... 

Functionalized magnetic core–zeolitic shell nanocomposites were prepared via hydrothermal and precipitation methods. The products were characterized by vibrating sample magnetometer, X-ray powder diffraction, Fourier transform infrared spectroscopy, nitrogen adsorption–desorption isotherms, and transmission electron microscopy analysis. The growth of mordenite nanocrystals on the outer surface of silica-coated magnetic nanoparticles at the presence of organic templates was well approved. The removal performance and the selectivity of mixed metal ions (Pb2+ and Cd2+) in aqueous solution were investigated via the sorption process. The batch method was employed to study the sorption kinetic,... 

Zeolite-based Ag/AgBr and Ag/AgBr/TiO2 photocatalysts were prepared by sol–gel and deposition methods and were characterized. Their photocatalytic activities were evaluated by inactivation of Escherichia (E.) coli and the photodegradation of Acid Blue 92 and potassium permanganate. The composites containing Ag/AgBr showed the antibacterial activity in the dark by releasing Ag+ ions into the medium. The results for inactivation of E. coli indicated that Ag/AgBr/TiO2 modified photocatalyst had better antibacterial activity than Ag/AgBr/zeolite, while zeolite and TiO2/zeolite did not show any antibacterial activity under visible light and dark conditions. Photodecolarization rate was affected... 

Mordenite (MOR) nanocrystals were synthesized using the hydrothermal method. Sol–gel and deposition methods were utilized to modify the zeolite surface with TiO2 and then AgBr or AgCl particles. Photocatalysts were characterized by using X-ray diffraction, Brunauer–Emmett–Teller (BET), and scanning electron microscopy techniques. Activity was evaluated by photodegradation of Acid Blue 92 as an azo dye. The effect of silver halide deposition on the photocatalytic behavior of the prepared nanocomposites was studied under both ultraviolet (UV) and visible light, and the results were compared. The results showed that AgCl/TiO2/MOR was more active under UV, while with visible source,... 

Functionalized magnetic core-zeolitic shell nanostructures were prepared by hydrothermal and coprecipitation methods. The products were characterized by Vibrating Sample Magnetometer (VSM), X-ray powder diffraction (XRD), Fourier Transform Infrared (FTIR) spectra, nitrogen adsorption-desorption isotherms, and Transmission Electron Microscopy (TEM). The growth of mordenite nanoparticles on the surface of silica coated nickel ferrite nanoparticles in the presence of organic templates was also confirmed. Antibacterial activity of the prepared nanostructures was investigated by the inactivation of Escherichia coli as a gram negative bacterium. A new mechanism was proposed for inactivation of E.... 

Photocatalytic reduction of p-nitrochlorobenzene was studied over aluminosilicate-based AgBr and AgBr-TiO2 photocatalysts which were prepared and characterized. The photoreaction was performed in the presence of LiBH4, which is a strong reducing agent, in the solution medium. A new mechanism is proposed for reduction of p-nitrochlorobenzene under photocatalytic conditions. The effect of pH, illumination source, LiBH4 concentration, temperature, catalyst dosage, and alcoholic scavengers was also studied. The results showed that the best efficiency was obtained over Ag/AgBr/TiO2/aluminosilicates at natural pH under UV light. We observed that the reaction yield was affected by changing the... 

In this paper, we consider a dual-sourcing model with constant demand and stochastic lead times. Two suppliers may be different in terms of purchasing prices and lead-time parameters. The ordering takes place when the inventory level depletes to a reorder level, and the order is split among two suppliers. Unlike previous works in the order splitting literature, the supply lead time between vendor and buyer as well as unit purchasing prices is considered to be order quantity dependent. The proposed model finds out the optimal reorder point, order quantity and splitting proportion, using a solution procedure. Numerical results show that neglecting the relationship between ordering batch size... 

In this paper, we address a basic production planning problem with price dependent demand and stochastic yield of production. We use price and target quantity as decision variables to lower the risk of low yield. The value of risk control becomes more important especially for products with short life cycle. This is because, the profit implications of low yield might be unbearable in the short run. We apply Conditional Value at Risk (CVaR) to model the risk. CVaR measure is a coherent risk measure and thereby having nice conceptual and mathematical underpinnings. It is also widely used in practice. We consider the problem under general demand function and general distribution function of... 

Investigating the behavior of materials in plastic limit is very important in different fields of engineering. Due to the simplicity of implementation and numerical stability, implicit types of algorithms are conventionally used to deal with plasticity problems. The backward Euler method as a first order accurate algorithm has proven very efficient for integrating the rate form of differential equations governing the behavior of different plasticity models. However, it is desirable to have algorithms with superior performance and quadratic rate of convergence compared with backward Euler method. Many second order integration algorithms have been proposed in the literature which are majorly... 

The main aim of this study was to improve current efficiency and to obtain thicker coatings via aluminum oxide (Al2O3) addition to the chromium (Cr) (III) bath. Design/methodology/approach ‐ Pure Cr and nanocomposite Cr–Al2O3 coatings were electrodeposited from Cr (III) bath onto cathode copper substrates by conventional method. Dependence of current efficiency to current density, Al2O3 content and particle size were investigated. Findings ‐ Current efficiency increased with Al2O3 amount and decreased with Al2O3 particle size. Maximum current efficiency was achieved at 25 A/dm2 for pure Cr and 30 A/dm2 for composite coatings. Al2O3 bath content, current density and stirring rate increased... 

Adsorption of human serum proteins (Albumin and total protein) onto high purity synthesis nano-hydroxyapatite (HA), Ca 10(PO 4) 6(OH) 2, has been studied in a wide temperature range by UV-visible spectrophotometer. Adsorption isotherm is basically important to describe how solutes interact with adsorbent, andiscriticalinoptimizing the use of adsorbent. Inthe present study, the experimental results werefitted tothe Langmuir, Freundlich, Temkin and Dubinin-Radushkevich (DR) models to obtain the characteristic parameters of each model and square of the correlation coefficients (R 2). According to the results, the DR isotherm model had the best agreement with the experimental data. The effect of... 

In this work a double step algorithm is presented for the integration of equations governing the behavior of von Mises material in plastic limit. The isotropic and kinematic hardenings employed are of general type and the evolution of back stress follows the Armstrong-Frederick rule. Theoretical and numerical aspects are discussed in detail and a comparison is made with the classical backward Euler method  

In this work four algorithms are presented for the integration of equations governing the behavior of von Mises material in plastic limit. Two of them are single-step and the others are double-step algorithms. Single-step algorithms are straight forward extension of backward Euler method or midpoint rule while double-step algorithms are a combination of two. In past similar algorithms were proposed for special cases of isotropic/kinematic hardening; however the algorithms presented in this work are applicable to general isotropic/kinematic hardening laws. Theoretical as well as numerical aspects are presented for all integration schemes and elaborated for double-step algorithms which are... 

A scheme for deterministic secure direct communication based on ping-pong protocol without restricting the security control only to a distinct control mode and debate via classical channel is proposed. It utilizes an entangled pair of qubits and presents a higher bit-rate transfer of information together with a higher security than ping-pong protocol. The security of protocol is enhanced by introducing a control factor for each message mode. It is explicitly showed that the protocol has a high degree of security against a class of individual attacks, and successfully resolves the famous Wojcik attack  

The main aim of the present work was to collect and categorize anti-HIV molecules in order to identify general structure-activity relationships. In this respect, a total of 5580 drugs and drug-like molecules was collected from 256 different articles published between 1992 and 2010. An algorithm called genetic algorithm-pattern search counterpropagation artificial neural networks (GPS-CPANN) was proposed for the classification of compounds. In addition, the CART (classification and regression trees) method was used for construction of decision trees and finding the best molecular descriptors. The results revealed that the developed CPANN models and decision tree can correctly classify the... 

A scheme for deterministic secure and high bit-rate direct communication without resorting to a distinct control interval is proposed. It utilizes three entangled qubits, and presents higher bit transfer rate of information and higher security. The security of protocol is asserted by introducing a security control for each transferred bit. The protocol is investigated for a class of individual attacks and it is explicitly showed that the protocol has a high security even in the presence of channel loss