Sharif Digital Repository

The reactions of different dithiocarbamate anions with epoxides were investigated in water. With this method, β-hydroxy dithiocarbamate derivatives were synthesized in high yields. The reaction was also carried out in DMF in the presence of lithium perchlorate with a simple work-up procedure, and the results are compared  

The use of adjusted/optimized saline water categorized into two different classes namely smart water (SW) and low salinity (LoSal) water injection has been proposed for more oil recovery from specific types of oil reservoirs. There are possible mechanisms concerning SW flooding that have been proposed in the literature, some of them are still subject to more examination. In this study, an experimental investigation is performed to determine the influence of type and amount of salt to the surface properties including interfacial tension (IFT) and contact angle (CA) of aqueous solution + acidic and asphaltenic crude oil + carbonate rock systems. For this purpose, the concentration of different... 

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  

Alumina-silicate composite coatings were formed on titanium substrate by plasma electrolytic oxidation (PEO) process using a silicate-based electrolyte containing alumina nanoparticles. Microstructure, chemical and phase compositions, and thickness of the coatings were investigated to determine, coating mechanism and probable reactions during the process. The effect of processing time on corrosion resistance of the coatings was investigated using the potentiodynamic polarization test. Barrier layer (TiO2) formation, micro arcs occurrence, and electrolyte ionization were the main stages of PEO coating growth process. Alumina nanoparticles were incorporated into the coating by cataphoretic and... 

In this study, ionic liquids formed between 1-ethyl-3-methylimidazolium cation ([emim]+) and alkyltrifluoroborate ([RBF3]-, R = n-CmH2m+1 (m = 1-5)) anions have been investigated theoretically. The interactions between the cation and anions have also been calculated at the MP2/6-311++G(d,p)//B3LYP/6-311++G(d,p) level of theory. The calculated interaction energies were found to decrease in magnitude with the increase of side-chain length in anions. The results of energy decomposition analysis (EDA) show that the interaction of these anions with [emim]+ cation is electrostatic in the nature and the side chain length in the anions has an important effect on the contribution of ΔEelect term. The... 

Interactions of α-D-glucose with gold, silver, and copper metal clusters are studied theoretically at the density functional theory (CAM-B3LYP) and MP2 levels of theory, using trimer clusters as simple catalytic models for metal particles as well as investigating the effect of cluster charge by studying the interactions of cationic and anionic gold clusters with glucose. The bonding between α-D-glucose and metal clusters occurs by two major bonding factors; the anchoring of M atoms (M = Cu, Ag, and Au) to the O atoms, and the unconventional M.H-O hydrogen bond. Depending on the charge of metal clusters, each of these bonds contributes significantly to the complexation. Binding energy... 

Continuous fixed-bed column studies were carried out by using Amberlite CG-400 anion exchange resin for the recovery of uranium from aqueous solutions (synthetic solutions and uranium conversion facility (UCF) liquid waste). Effects of operating parameters such as flow rate and bed height were studied. The breakthrough capacity decreases with increasing flow rate, but this dependence was not significant with a long column. The maximum breakthrough capacity of uranium ions were achieved by CG-400 resin at a flow rate of 0.2 mL min-1 and bed height 9.1 cm (4 g resin). The elution behavior of uranium from CG-400 resin by various eluents have been investigated and the results show that 0.5 mol... 

The relative stabilities and noncovalent interactions of the six low-lying energy tautomers of cytosine nucleobase with some biological anions (such as F-, Cl-, and CN-) have been investigated in gas phase by density functional theory (DFT) method in conjunction with 6-311++G (d,p) atomic basis set. Furthermore, to systematically investigate all possible tautomerisms from cytosine induced by proton transfer, we describe a study of structural tautomer interconversion in the gas phase and in a continuum solvent using DFT calculation. We carried out geometrical optimizations with the integral equation formalism of polarizable continuum (IEF-PCM) model to account for the solvent effect, and the... 

Because of the recent frequent observations of major dust storms in southwestern cities in Iran such as Ahvaz, and the importance of the ionic composition of particulate matters regarding their health effects, source apportionment, etc., the present work was conducted aiming at characterizing the ionic composition of total suspended particles (TSP) and particles on the order of ∼10 μm or less (PM10) during dust storms in Ahvaz in April-September 2010. TSP and PM10 samples were collected and their ionic compositions were determined using an ion chromatography. Mean concentrations of TSP and PM10 were 1,481.5 and 1,072.9 μg/m 3, respectively. Particle concentrations during the Middle Eastern... 

In this paper, the sorption of uranium onto nanoporous silica adsorbent in the presence of nitrate, sulfate, chloride, fluoride and phosphate was studied. The effect of contact time between the nanoporous sorbent and aqueous solution, pH and initial concentration of uranium was also investigated. Uranium sorption onto nanoporous silica adsorbent is a very fast process as sorption rate increases with pH increment. Optimum pH for uranium sorption was 4-8. Experimental sorption isotherm is successfully described by Langmuir and Freundlich models. The results obtained by batch experiments showed that the presence of high concentration of nitrate, sulfate, chloride and phosphate anions alone had... 

In this paper, uranium sorption onto amberlite CG-400 anion exchange resin in the presence of phosphate anions was studied. The effect of contact time between the sorbent and aqueous solution, pH, initial concentration of uranium and temperature were also investigated. Kinetic studies show that uranium sorption onto amberlite CG-400 resin in the presence of phosphate is a fast process and follows pesudo-second-order kinetics. It was also found that the pH value and the presence of phosphate play very important roles in the uranium sorption onto CG-400 resin. Optimum pH for uranium sorption in the presence of phosphate anions was about 3.5. The experimental sorption isotherm is successfully... 

Yttrium Iron Garnet (YIG) powders were synthesized by a sol-gel auto-combustion method using cationic and anionic surfactants with different values and different calcination times and temperatures. The final products were characterized by DTA/TG, XRD, TEM and VSM techniques. The results showed a decrease in calcination temperature and crystallite size in the presence of a cationic surfactant, while no significant effect was observed using an anionic surfactant. Magnetic properties of YIG powders were improved as an optimum value of cationic surfactant was used  

Mixed protein-surfactant adsorption layers can be built up in two different ways. The classical way is when all components adsorb simultaneously from a mixed solution. Alternatively, the components adsorb one after another, i.e. in a sequential way. In the present work, the formation of such surface layers has been studied with the random coil protein β-casein in the presence of added anionic surfactant SDS and compared for two different interfaces: the water-air (W-A) and water-hexane (W-H) interfaces. The used experimental technique is a drop profile analysis tensiometer PAT-1 specially equipped with a coaxial double capillary for drop volume exchange during the experiments. The results... 

The interactions between five amino acid based anions ([AA] - (AA = Gly, Phe, His, Try, and Tyr)) and N7,N9-dimethylguaninium cation ([dMG] +) have been investigated by the hybrid density functional theory method B3LYP together with the basis set 6-311++G(d,p). The calculated interaction energy was found to decrease in magnitude with increasing side-chain length in the amino acid anion. The interaction between the [dMG] + cation and [AA] - anion in the most stable configurations of ion pairs is a hydrogen bonding interaction. These hydrogen bonds (H bonds) were analyzed by the quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analysis. Finally, several correlations... 

This work concerns the experimental investigation of surfactant alternating CO 2 injection in carbonate rocks. The core samples provided from a low-temperature fractured light oil reservoir, located in southwest Iran. The experiments were designed to observe the effect of CO 2-foam injection on gas mobility and oil recovery at different surfactant concentrations. The core samples were initially saturated with synthetic/field brine, 5,000 ppm, and then flooded with live oil to reach connate water saturation at reservoir condition, 115F and 1,700 psia. The commercial surfactant used was sodium lauryl sulfate as an anionic surfactant. The results of this work, along with field-scale simulation... 

Bridgehead C-H bond dissociation enthalpies of 105.7 ± 2.0, 102.9 ± 1.7, and 102.4 ± 1.9 kcal mol -1 for bicyclo[2.2.1]heptane, bicyclo[2.2.2]octane, and adamantane, respectively, were determined in the gas phase by making use of a thermodynamic cycle (i.e., BDE(R-H) = ΔH° acid(H-X) - IE(H •) + EA(X •)). These results are in good accord with high-level G3 theory calculations, and the experimental values along with G3 predictions for bicyclo[1.1.1]pentane, bicyclo[2.1.1]hexane, bicyclo[3.1.1]heptane, and bicyclo[4.2.1]nonane were found to correlate with the flexibility of the ring system. Rare examples of alkyl anions in the gas phase are also provided  

Although alkaline-surfactant-polymer flooding is proved to be efficient for oil recovery from heavy oil reservoirs, the displacements mechanism/efficiency of this process in fractured systems needs to more discussion, especially in five-spot patterns. In this work, several ASP flooding test were performed on fractured micromodels which were initially saturated with heavy oil at constant flow rate and different fracture geometrical characteristics conditions. The ASP solutions are constituted from 5 polymers i.e. four synthetic polymers include three hydrolyzed polyacrylamide with different molecular weight as well as a non-hydrolyzed polyacrylamide and a biopolymer, 2 surfactants i.e. a... 

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... 

Mass-transfer rates to and from drops in liquid-liquid extraction processes are often reduced by the presence of contaminants. To design an industrial extractor, it is essential to consider this contamination effect in a quantitative manner. To achieve this goal, an experimental investigation was conducted on the mass transfer into single drops for n-butanol-succinic acid-water, as the recommended test system by the European Federation of Chemical Engineering (EFCE). The effects of anionic (sodium dodecyl sulfate, SDS), cationic (dodecyl trimethyl ammonium chloride, DTMAC), and nonionic (octylphenol decaethylene glycol ether, Triton X-100) surfactants on the hydrodynamic and mass-transfer...