Sharif Digital Repository

A highly efficient and simple synthesis of dithiocarbamates is possible based on the one-pot reaction of amines, CS2, and alkyl halides without using a catalyst under solvent-free conditions. The mild reaction conditions, high yields, and broad scope of the reaction illustrate the good synthetic utility of this method. The reaction is a highly atom-economic process for production of S-alkyl thiocarbamates and successfully can be used in high quantities in the pharmaceutical or agrochemical industries  

Chemical Vapor Synthesis route was used for synthesis of titanium dioxide (TiO2) nanoparticles in hot-walled reactor at 800degreeC using TiCl4 as precursor. The effect of processing parameters e.g., temperature and amount of precursor on phase structure, size, purity, coagulation and agglomeration of nanoparticles were investigated in this respect. Also, the H2O effects on the size, crystallinity, phase transformation and purity of nanoparticles were studied. Comprehensive experimental observations were confirmed by transmission electron microscopy, X-ray diffraction analysis and thermal gravimetric-differential thermal analysis results. The obtained results showed that by increasing the... 

This work aims to discuss the results of wide ranges of laboratory investigations to evaluate the performance of a newly-formulated surfactant for heavy oil reservoirs in order to improve the microscopic sweep efficiency after water flooding processes. In the first part, the specific behavior of the formulated surfactant including its salinity tolerance, interfacial tension, and optimum performance window was determined. Then, the application of surfactant solutions in real sandstone reservoir rocks was assessed for both oil-wet and water-wet cases. Besides, the effect of changing the capillary and viscous forces and interfacial tension on the residual phase saturations were characterized.... 

In this work, a newly formulated sulfonate-based surfactant and two other commercial sulfate-based surfactants with the capability of tolerating harsh underground reservoir conditions, such as high-saline formation water and high temperature, were prepared. Sodium metaborate as an effective alkali compound was also used to provide alkali-surfactant combination. Interfacial tension (IFT) measurements as well as wettability examinations for different salinities and mixture conditions were performed for an extended range of the chemical concentrations. The wettability tests including both contact angle measurements and Amott cell tests were performed on saturated Berea sandstone plug samples... 

In this study, a mixture-based sulfonate-based surfactant with a novel formula capable of functioning in real oil reservoir conditions was prepared and some microscopic parameters, like its compatibility state, emulsion behavior, interfacial tension, and temperature dependency in the presence of a heavy oil sample, and two of the most popular alkalis were analyzed; then the results were compared with those of a commercial sulfate-based surfactant. The designed surfactant provided an optimum three-phase region in relatively high salinity media; however, its optimum value decreased when adding any alkaline materials; this trend was reversed for the solutions made with the sulfate-based... 

Injecting low salinity brines is regarded as an enhanced oil recovery (EOR) process through IFT reduction. However, the exact mechanism behind this process is an unsettled and complex issue that has not been well understood yet, especially for heavy crude oil system. Besides, limited information is available regarding the key heavy oil/brine interfacial tension (IFT). The present study aims to investigate the sensitivity of dead heavy crude oil/brine IFT to a wide range of properties/conditions and to reveal the underlying physicochemical mechanisms involved in enhanced oil recovery and IFT reduction by low salinity water injection into heavy oil reservoir. IFT was measured as a function of... 

Alkaline-Surfactant-Polymer flooding is one of the most novel chemical enhanced oil recovery methods in the petroleum industry. This method has attracted interest due to its remarkable advantages. In this work, a series of ASP floods are conducted on fractured/non-fractured carbonate rocks. The performance of the tests was investigated by various ASP floods consisting of five types of polymers, two surfactants and one common alkaline. ASP was flooded simultaneously and sequentially in four defined scenarios after water flooding. The results showed that although using hydrolysed polymers increases the recovery factor in the fractured medium, sulfonated polymers increase oil recovery even more... 

A newly-designed surfactant was formulated to tolerate the harsh conditions of oil reservoirs, including high salinity of the formation brine and temperature. The specific emulsion and interfacial tension (IFT) behavior of this new surface active agent were investigated by performing emulsion stability tests, emulsion size analysis, and IFT behavior in the presence of four different types of alkalis. Image processing was utilized to analyze the droplet size distribution using microscopic images of the samples. The results show that depending on the composition of the mixtures, the optimum phase region and interfacial tension behavior change considerably. Solutions containing a higher... 

Molecules acting as antioxidants capable of scavenging reactive oxygen species (ROS) are of upmost importance in the living cell. Thymol derivatives exhibit various antioxidant activities and potential health benefits. Exploration of structure-radical scavenging activity (SAR) was approached with a wide range of thymol derivatives. To accomplish this task, the DPPH experimental assay along with quantum-chemical calculations were also employed for these compounds. By comparing the structural properties of the derivatives of interest, their antioxidant activity was explained by the formation of an intramolecular hydrogen bond and the presence of unsaturated double bond (–CHdouble bond; length... 

The crystal and electronic structures of normal phase of Ba1-xKxFe2As2 for x = 0.0, 0.5 and 1.0 have been studied by using pseudopotential Quantum Espresso code based on ab-initio density functional theory. Effects of K doping on the crystal structure and lattice parameters have been calculated and compared with the experimental and computational reported data for similar compounds. The metal-metal bonding scenario was used to explain the changes of lattice parameters by K doping. The electronic structure of this system including of density of states and band structure have been calculated and investigated by K doping. One of the interesting results is that a larger peak is appeared near the... 

A five-coordinated Fe(III) complex with the distorted trigonal bipyramidal configuration was synthesized by reactions of FeCl36H2O and 2-(2′-hydroxyphenyl)oxazoline (Hphox) as a bidentate ON donor oxazoline ligand. Complex [Fe(phox)2Cl] was fully characterized, including by single-crystal X-ray structure analysis. DFT calculations were accompanied with experimental results in order to obtain a deeper insight into the electronic structure and vibrational normal modes of complex. Oxidation of sulfides to sulfoxides in one-step was conducted by this complex as catalyst using urea hydrogen peroxide (UHP) in mixture of CH2Cl 2/CH3OH (1:1) under air at room temperature. The results show that using... 

A high silica CHA-type membrane was synthesized by the in-situ crystallization method on a disk like α-alumina porous support to separate both acid (H2S, CO2) gases from methane. The membrane showed a permeance of 3.39×10-8mol/m2sPa for pure CO2with CO2/CH4 ideal selectivity of 21.6 at 303K and 100kPa pressure difference across the membrane. The membrane was also tested with N2 and O2 pure gases indicating a small O2/N2 selectivity of 1.2-1.4, which shows that this type of membrane is not suitable for O2/N2 separation. The membrane performance was also analyzed by binary (CO2-CH4) and ternary (H2S-CO2-CH4) gas mixtures, with compositions near the real sour natural gas (CO2: 2.13mol%, H2S:... 

Artificial neural networks with multilayer feed forward topology and back propagation algorithm containing two hidden layers are implemented to predict the effect of chemical composition and tensile properties on the both impact toughness and hardness of microalloyed API X70 line pipe steels. The chemical compositions in the forms of "carbon equivalent based on the International Institute of Welding equation (CEIIW)", "carbon equivalent based on the Ito-Bessyo equation (CEPcm)", "the sum of niobium, vanadium and titanium concentrations (VTiNb)", "the sum of niobium and vanadium concentrations (NbV)" and "the sum of chromium, molybdenum, nickel and copper concentrations (CrMoNiCu)", as well... 

Injecting low salinity brines is regarded as an enhanced oil recovery (EOR) process through IFT reduction. However, the exact mechanism behind this process is an unsettled and complex issue that has not been well understood yet, especially for heavy crude oil system. Besides, limited information is available regarding the key heavy oil/brine interfacial tension (IFT). The present study aims to investigate the sensitivity of dead heavy crude oil/brine IFT to a wide range of properties/conditions and to reveal the underlying physicochemical mechanisms involved in enhanced oil recovery and IFT reduction by low salinity water injection into heavy oil reservoir. IFT was measured as a function of... 

A deterministic model based on the discrete population balance equation (PBE) is used to examine the precipitation of barium sulfate nanoparticles in nonionic inverse microemulsion systems. It is shown that coagulation can have a significant effect at low initial reactants concentration. The simulation results show that a bimodal particle size distribution (PSD) observed in experimental analysis reported in the literature cannot be predicted by neglecting the coagulation effect. A coagulation kernel is proposed that takes into account the effect of interparticle forces through the Fuchs' stability ratio. The effect of electrolyte concentration on the surfactant headgroup area is also... 

Asphaltene precipitation problems manifest themselves in different stages of oil reservoirs production. Experimental and modeling investigations are, therefore, employed as promising tools to assist in predictions of asphaltene precipitation problems and selection of proper production facilities. This study concerns experimental and modeling investigations of asphaltene precipitation during natural production and gas injection operations for a heavy Iranian crude oil at reservoir conditions. First, with design and performance of high pressure-high temperature experiments, asphaltene precipitation behavior is comprehensively investigated; the effects of pressure and temperature are fully... 

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 %  

GAC has been modified by loading of potassium nickel hexacyanoferrate (KNiCF) as a new adsorbent for cesium adsorption. The potassium nickel hexacyanoferrate-loaded granular activated carbon (KNiCF-GAC) was characterized using powder x-ray diffraction (XRD) and nitrogen adsorption-desorption isotherm data, infrared spectroscopy, and its cesium adsorption performance in aqueous solution was investigated. The effect of the various parameters such as initial pH value of the solution, contact time, temperature, and initial concentration of the cesium ion on the adsorption efficiencies of KNiCF-GAC have been studied systematically by batch experiments. The adsorption isotherm of KNiCF-GAC was... 

In order to simulate the performance of pure methane in chemical looping using iron-based oxygen carrier, simultaneously production of three pure streams of hydrogen, nitrogen and carbon dioxide has been investigated. For this purpose, proper operating conditions have been discussed for maximum production of hydrogen, complete consumption of oxygen of inlet air and complete combustion of methane. Professional software is used to simulate the chemical looping reactors and optimize their output streams. Results show that in this process each mole of methane fuel can produce 2.533, 2.65 and 0.99 mol of pure N 2, H2 and CO2, respectively which contributes 80.2% energy conversion of CH4 to H2....