Sharif Digital Repository

We outline a comprehensive numerical procedure for modeling of species transport and surface reaction kinetics in electrokinetically actuated microfluidic devices of rectangular cross section. Our results confirm the findings of previous simplified approaches that a concentration wave is created for sufficiently long microreactors. An analytical solution, developed for the wave propagation speed, shows that, when normalizing with the fluid mean velocity, it becomes a function of three parameters comprising the channel aspect ratio, the relative adsorption capacity, and the kinetic equilibrium constant. Our studies also reveal that the reactor geometry idealized as a slit, instead of a... 

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 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  

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... 

The kinetics of coalescence is studied experimentally using a new technique for tracking the process in the bulk phase. For this aim, aqueous solutions of KSCN (colorless) and FeCl3 (light yellow) are used to make individual W/O emulsions. Any coalescence occurred between drops containing KSCN solution and those containing FeCl3 solution would combine these solutions. This leads to a reddish brown solution due to the formation of iron(III)thiocyanate. The intensity change of this red color with time represents the dynamics of coalescence occurring between drops of different emulsified aqueous droplets. The detector response to any changes in the system is recorded as a function of time. In... 

High chemical resistance is the main prerequisites for materials that are intended to be utilized in usages such as chemicals storage containers production. Nanocomposites of epoxy resin containing nanoclay, CaCO3 and TiO2 nanoparticles were prepared and their chemical resistance was studied. Moreover, the effect of electron beam irradiation was explored. TEM micrographs proved the dispersion of nano-size particles in the polymeric matrix. XRD patterns showed an exfoliated structure for nanocomposite containing 1 % nanoclay and intercalated structures for nanocomposites with higher nanoclay contents. SEM showed the pits that appeared in epoxy/nanoclay structure due to chemical corrosion.... 

Reduction of air pollutants formation from hydrocarbon combustion process requires improvements in combustion systems. The moderate and intense low oxygen dilution (MILD) combustion technique is an opportunity to achieve such a goal. MILD combustion is a combustion regime which can be attained by high temperature preheating and high level dilution. In this paper, the mechanism of CO and CO2 formation for a CH4/H2 fuel mixture is studied under MILD combustion condition of a jet in hot coflow (JHC) burner. This investigation is done using the computational fluid dynamics (CFD) and also zero dimensional well-stirred reactor (WSR) analysis. The RANS equations with modified k-ε equations are... 

Water dispersed magnetic nanoparticles (DMNPs) of γ-Fe 2O3 represent a simple and green catalyst for the rapid three-component synthesis of tetrahydro-4H-chromene and hexahydroquinoline carboxylate skeletons via single-pot domino Knoevenagel-Michael-cyclization reactions  

Azlactones have been prepared via Erlenmeyer synthesis from aromatic aldehydes and hippuric acid using Fe 2O 3 nanoparticles under ultrasonic irradiation. Short reaction times, easy and quick isolation of the products, and excellent yields are the main advantages of this procedure  

Conditions for an efficient ligand-free Heck C-C coupling reaction of aryl iodides and bromides with terminal olefins under aerobic conditions have been developed. Critical to the success of this new protocol is the use of palladium acetate as an extremely active catalyst for the Heck reaction in water and aqueous media. Both the base and the solvent were found to have a fundamental influence on the efficiency of the reaction, with K2CO3 and a mixture of (2:1) H2O/DMSO being the optimal base and solvent, respectively  

Tubular ceramic membranes were synthesized by depositing a dense layer of silica-alumina on top of a multilayer substrate using co-current chemical vapor deposition (CVD) method. The multilayer substrate was prepared by coating with a series of bohemite sols with certain particle sizes. Cross-sectional and surface images obtained from high resolution FESEM showed that the intermediate layer had a thickness of about 1μm and the top selective layer was uniform and dense with a thickness of less than 100nm. Permeance tests, which were carried out with H 2, CO 2, N 2 and CH 4 at a high temperature range of 923-1073K, indicated that gas permeation took place via different mechanisms through... 

The reaction of thiooxindoles with various 2- and 3-substituted pyridinium salts afforded a variety of functionalized thiazocinoindoles. The products have been prepared in good to excellent yields by regioselective dinucleophilic C/S-cyclocondensation of thiooxindoles with pyridinium salts  

N,N′,N″-triethylenethiophosphoramide (Thiotepa) and its oxo analogue (Tepa) as the major metabolite are trifunctional alkylating agents with a broad spectrum of antitumor activity. In vivo and vitro studies show alkylation of DNA by Thiotepa and Tepa can follow two pathways, but it remains unclear which pathway represents the precise mechanism of action. In pathway 1, these agents are capable of forming cross-links with DNA molecules via two different mechanisms. In the first mechanism, the ring opening reaction is initiated by protonating the aziridine, which then becomes the primary target of nucleophilic attack by the N7-Guanine. The second one is a direct nucleophilic ring opening of... 

(A) Chakraborty and co-workers have developed a green method for the bulk ring-opening polymerization of lactides in the presence of Cu(OAc)2 as a good catalyst to synthesize polymers with different end-terminal groups.3 These polymerizations are highly controlled leading to the formation of polymers with the expected number of average molecular weights and narrow molecular weight distribution. (B) Garden and co-workers have found that the oxidative addition of anilines with 1,4-naphthoquinone to give N-aryl-2-amino-1,4-naphthoquinones can be performed in the presence of catalytic amounts of copper(II) acetate.4 All the reactions are generally more efficient in that they are cleaner, higher... 

The synthesis of bicyclo[3.3.1]nonane systems is reported. The synthesis is based on the tandem 1,3-dinucleophilic addition of 4-hydroxy-2-quinolinone to quinolinium salts  

The effects of temperature, seed mass and agitation rate on agglomeration kinetics of aluminum hydroxide in Bayer process have been studied in a batch system. Collected raw data were analyzed and the kinetics data of agglomeration were derived through simulation of the process using a pre-developed software. The results showed that agglomeration kinetics constant (agglomeration kernel) increases with increase in temperature and agitation rate. Moreover a maximum value of agglomeration rate versus added seed mass was observed. Furthermore the magnitude of calculated activation energy of agglomeration was close to that of growth  

In this study, WO 3 nanocrystallites were first produced by laser ablation of W target in deionised water. To synthesize palladium, a PdCl 2 solution (0.2 g/L) was added to the liquid. Transmission electron microscope revealed successful synthesis of tungsten oxide nanocrystallites along with the production of Pd and core-shell Pd/WO3 nanoparticles. Gasochromic behavior was examined by hydrogen bubbling into Pd/WO 3 liquid in which a transition to blue absorbing state was observed. Optical absorption spectra of the colored liquid represented different sharp small polaron absorbing peaks below 3 eV and the peaks intensity was observed to be varied with Pd:WO 3 ratio. Time variations of... 

Regioselective epoxides ring opening with aromatic amines using boric acid and glycerol in water as a green media have been investigated. Corresponding β-amino alcohols were obtained with excellent yields and considerable regioselectivity. High yields of the products and mild reaction conditions using green catalyst and water as a green solvent are some advantages of this procedure  

The novel coumarin-3-carboxamides (=2-oxo-2H-1-benzopyran-3-carboxamides) 5a-5g containing lipophilic spacers were synthesized through the Ugi-four-component reaction (Scheme 1). The reactions of aromatic aldehydes 1, 4,4'-oxybis[benzenamine] or 4,4'-methylenebis[benzenamine] as diamine 2, coumarin-3-carboxylic acid (=2-oxo-2H-benzopyran-3-carboxylic acid; 3), and alkyl isocyanides 4 lead to the desired substituted coumarin-3-carboxamides 5a-5g at room temperature with high bond-forming efficiency. These novel coumarin derivatives exhibit brilliant fluorescence at 544 nm in CHCl 3  

A novel microcapsule adsorbent for separation of uranium from phosphoric acid solutions was developed by immobilizing the di(2-ethylhexyl) phosphoric acid-trioctyl phosphine oxide extractants in the polymeric matrix of calcium alginate. Physical characterization of the microcapsules was accomplished by scanning electron microscopy and thermogravimetric techniques. Equilibrium experiments revealed that both ion exchange and solvent extraction mechanisms were involved in the adsorption of ions, but the latter prevailed in a wider range of acid concentration. According to the results of kinetics study, at low acidity level, the rate controlling step was slow chemical reaction of ions with the...