Sharif Digital Repository

An operationally simple and entirely green protocol for heteropoly acid catalyst conjugate addition of indoles and pyrrole to unsaturated carbonyl compounds and nitro-alkene in water was investigated. It is important that the products arising from 1,2-addition were not observed under the reaction conditions. Pyrroles also readily underwent Michael addition at Α-positions under the same reaction conditions. Indole and many of its derivatives are present in many substances commonly found in nature. Micheal addition reactions are performed in organic solvents with the reactions in water are relatively scarce. The Michael addition between indole and methyl vinyl ketone in the presence of... 

γ-Alumina is used to catalyze the Cannizzaro reaction in the absence of any base under microwave irradiation in high yields. In the case of terephthalaldehyde the reaction is carried out with high selectivity  

Single-walled carbon nanotubes (SWCNTs) and multiwalled carbon nanotubes (MWCNTs) were synthesized in aqueous solutions containing FeCl2, FeCl3, FeSO4 and Fe2(SO4)3. The effects of iron charge and the counter ions on the formation of carbon nanotubes (CNTs) were investigated. Thermogravimetric (TG) analysis indicated that carbon multilayer structures including CNTs and multishell graphite particles were formed in deionized (DI) water without the iron precursor. SWCNTs were also synthesized in the presence of the iron ions. It was also found that the mole ratio of [Fe2+]/[Fe3+] in the solution has a significant influence on the purity of CNTs and the process yield. The highest yield was... 

This paper addresses the midterm preventive maintenance outage scheduling problem of thermal generating units which is becoming increasingly important due to the aging of power generation fleet. In this context, a novel midterm preventive maintenance outage scheduler is proposed based on decision tree and mixed integer linear formation which explicitly considers the thermal units aging momentum in terms of failure rate. This allows the system operators to determine the thermal units' maintenance outage window based on the cost/benefit analysis of preventive maintenance tasks while optimizing the time interval between consecutive maintenance tasks. Additionally, the division of the year-long... 

Palladium catalysts supported on functionalized multi-wall carbon nanotubes were synthesized for hydro-purification of crude terephthalic acid containing 2100ppm 4-carboxybenzaldehyde (4-CBA) as impurity. PdCl2 and Pd(OAc)2 were used as precursors. Palladium loadings were 0.05 to 0.6wt.% with catalysts reduced at 200 to 400°C. Catalysts prepared from both precursors with least 0.3wt.% palladium resulted in 99%+ removal of 4-CBA. The most desired selectivity was obtained for the catalyst with PdCl2 as precursor, reduction temperature of 300°C, and palladium loading of 0.3wt.%. This catalyst had slightly better performance than the commercial catalyst (0.5wt.% of palladium on activated carbon)... 

Application of the DOE with the ANN in kinetic study of the ODHP was investigated.•The catalyst of vanadium/graphene synthesized through the hydrothermal technique.•The ANN and RSM's simulations were utilized to generate the extra data points.•Power law models and corresponding parameters determined to describe the reactions.•The optimization conducted in order to minimize the COx production. In the current investigation, an application of the design of experiments (DOE) along with the artificial neural networks (ANN) in a kinetic study of oxidative dehydrogenation of propane (ODHP) reaction over a synthesized vanadium-graphene catalyst at 400-500. °C presented aiming at minimizing the CO. x... 

A task-specific Brønsted acidic ionic liquid (BAIL), 1-benzyl-3-methylimidazolium hydrogensulfate ([BnMIm]HSO4), was prepared and confined onto the high surface area silica gel. The catalyst has shown extraordinary activity in comparison of homogeneous ionic liquid (IL) system for Fischer esterification of fatty acid with ethanol. The ester derivatives were synthesized in high yields and catalyst was easily separated from the reaction mixture by simple filtration. The structure of the catalyst is theoretically modelized to investigate the unusual catalytic activity. Hence, a hydroxylated cage-like nano-cluster, H6Si8O12(OH)2, was selected to mimic the surface of silica gel. The interactions... 

In this article, the transesterification of waste cooking oil (WCO) to biodiesel fuel (BDF) has been studied using KOH loaded on millimetric γ-Al2O3 particles in a novel type of two-impinging-jets reactor (TIJR). The effects of various parameters such as KOH loading (wt %), catalyst loading, and methanol-to-oil molar ratio on the BDF yield were studied. The catalyst particles with a KOH loading of 25 wt % at appropriate reaction conditions (i.e., catalyst loading = 4 wt % and methanol-to-oil molar ratio = 15:1) and at 65 °C were used in the TIJR. The influences of various operating and design parameters such as jet Reynolds number value, feed flow rate, jet diameter, and the internozzle... 

In this research the application of design of experiment (DOE) coupled with the artificial neural networks (ANN) in kinetic study of oxidative dehydrogenation of propane (ODHP) over a vanadium-graphene catalyst at 400-500 °C and a method of data collection/fitting for the experiments were presented. The proposed reaction network composed of consecutive and simultaneous reactions with kinetics expressed by simple power law equations involving a total of 20 unknown parameters (10 reaction orders and 5 rate constants each expressed in terms of a pre-exponential factors and activation energies) determined through non-linear regression analysis. Because of the complex nature of the system, neural... 

The use of commercially available 2,6-bis(diphenylphosphino)pyridine as a ligand in conjunction with K2CO3, DMAc and TBAB is an effective method for the palladium-catalyzed CN coupling of a variety of aryl halides with anilines, N-heterocyclic aromatic amines, and a cyclic secondary amine. The reactions proceed in good to excellent yield (up to 98%) while the loading of Pd(OAc)2 was as low as 0.025 mol %  

An efficient method is reported for selective oxidation of various types of sulfides to sulfoxides and sulfones in good to high yields using 30% H 2O2 in the presence of catalytic amounts of molybdate-based catalyst in acetonitrile as solvent at room temperature. The catalyst can be easily recovered and reused for seven reaction cycles without considerable loss of activity  

In this work, the electrophoretic deposition method was utilized to immobilize TiO2 particles on stainless steel substrates. In addition, for the first time, statistics-based experimental design using response surface methodology was employed to investigate the effect of four key coating parameters (i.e. applied voltage, calcination temperature, photocatalyst weight percentage, and deposition time) on the photocatalytic degradation. Analysis of variance revealed that the proposed model was adequate. X-ray diffraction and scanning electron microscope were used to evaluate the effects of the parameters on degradation efficiency. The optimum applied voltage, calcination temperature, catalyst... 

An efficient route for the synthesis of gem-bis(dithiocarbamate) derivatives is developed using dithiocarbamic acid salts generated from primary aliphatic amines and CS2. The method offers high yields, employs mild reaction conditions, and demonstrates excellent functional group compatibility. The structures of the products were confirmed spectroscopically and by X-ray analysis  

A metal-organic framework [Co3(BDC)3(DMF)2(H2O)2] was synthesized and structurally characterized. X-ray single crystal analysis revealed that the framework contains a 2D polymeric chain through coordination of 1,4-benzenedicarboxylic acid linker ligand to cobalt centers. The polymer crystallize in monoclinic P21 /n space group with a=13.989(3) Å, b=9.6728(17) Å, c=16.707(3) Å, and Z=2. The polymer features a framework based on the perfect octahedral Co-O6 secondary building units. The catalytic activities of [Co3(BDC)3(DMF)2(H2O)2]n for olefins oxidation was conducted. The heterogeneous catalyst could be facilely separated from the reaction mixture, and reused three times without significant... 

Methanol conversion was investigated on dealuminated mordenite (DM) as well as a series of promoted DM (i.e., metal/DM) catalysts prepared by impregnation. Prepared catalysts characterized by the powder XRD, BET, and NH3-TPD techniques. Chemical analysis was performed using induced coupled plasma (ICP) method. The conversion of methanol over different metal/mordenite catalysts was compared at 460C and WHSV of 1 h-1. Several metals including Fe, La, and Ca had been used to prepare metal/DM catalysts, which displayed high selectivity toward propylene production. Ultimately, La/DM catalyst was determined to be the best material amongst those investigated for methanol conversion based upon its... 

Uniform layers of ZnO nanostructures were formed on quartz and alumina substrates through a simple vapor phase transport (VPT) method without any catalyst or buffer layer by making proper growth conditions. The effect of substrate on morphology, crystalline structure and photoluminescence spectra has been investigated. Scanning electron microscopy images revealed that morphlogical grwoth depends on used substrate, aligned rods with flower-like bundels and entangled rods are vertically aligned rods on the quartz and alumina substrates, respectively. X-ray diffraction studies showed that grown films on the quartz substrates possess stronger c-axis orientation compared to those on the alumina... 

Supported palladium nanoparticles on Mn-carboxylate coordination polymer (Pd/MnBDC) were prepared using solution impregnation method. This new catalyst was characterized by XRD, SEM, TEM, EDX, XPS, FTIR and TGA analysis. The Pd/MnBDC exhibits efficient catalytic activity for the Mizoroki-Heck coupling reaction between iodobenzene and either aromatic or aliphatic terminal alkenes and reuses up to four runs without significant loss of activities  

A reduction in catalyst's activity with time-on-stream and the formation of side products are two of the problems associated with catalytic propane dehydrogenation (PDH). Previous studies have indicated that the presence of small amounts of oxygenated additives such as water can reduce coke formation and enhance catalyst activity. The aim of the present work was to develop an appropriate kinetic model for PDH over a commercial Pt-Sn/γ-Al 2O3 catalyst in the presence of small amounts of water. Experimental data were obtained from a previous study where catalytic PDH was carried out in a bench scale reactor system at atmospheric pressure in the temperature range of 575-620°C in the presence of... 

In the present work, the synergetic effect of Ti-based catalysts (TiH2 and TiO2 particles) on hydrogen desorption kinetics of nanostructured magnesium hydride was investigated. Nanostructured 84mol% MgH2-10%mol TiH2-6%mol TiO2 nanocomposite powder was prepared by high-energy ball milling and subjected to thermal analyses. Evaluation of the absorption/desorption properties revealed that the addition of the Ti-based catalysts significantly improved the hydrogen storage performance of MgH2. A decrease in the decomposition temperature (as high as 100°C) was attained after co-milling of MgH2 with the Ti-based catalysts. Meanwhile, solid-state chemical reactions between MgH2 and TiO2 nanoparticles... 

A novel, simple and rapid spectrophotometric method for the determination of nitrophenol (NP) isomer mixtures based on the catalytic activity of gold nanoparticles is described. Gold nanoparticle (∼13 nm) solution was used to catalyze the reduction of NP isomers to aminophenols with an excess amount of NaBH4. The second-order data were obtained by spectrophotometrically monitoring the reduction process of NP isomers. So, multivariate curve resolution optimized by alternative least squares (MCR-ALS) was used to analyze such data. MCR-ALS, an appropriate second-order method, can exploit the so-called 'second order advantage' (the ability to determine in the presence of uncalibrated...