Sharif Digital Repository

Dissolved air precipitation/solvent sublation (DAP/SS) was used for treatment of simulated and real oilfield produced water to generate very fine bubbles which are necessary for effective separation. In this method micro bubbles produced by saturation of air in a pressurized packed column were released in an atmospheric column leading the bubbles to raise resulting trapped contaminants in the Gibbs layer around them to be removed by a layer of immiscible solvent at the top of column. The method was conducted to solutions including Benzene, Toluene and Chlorobenzene (ClB) as part of BTEX contaminants in produced water, mixture of them as simulated produced water and real oilfield produced... 

Some new 1,4-distyrylbenzene derivatives were synthesized by using immobilized palladium nanoparticles on silica-bonded N-propyl morpholine (PNP-SBNPM) as a heterogeneous catalyst. These one-pot reactions afforded a range of stereoselective, symmetrical (E)-1,4-distyrylbenzene derivatives with high yields (78-90%). The green catalyst system is recyclable and allows facile product isolation. The recycled catalyst could be reused six times without appreciable loss of catalytic activity  

The spatiotemporal variability of ambient volatile organic compounds (VOCs) in Tehran, Iran, is not well understood. Here we present the design, methods, and results of the Tehran Study of Exposure Prediction for Environmental Health Research (Tehran SEPEHR) on ambient concentrations of benzene, toluene, ethylbenzene, p-xylene, m-xylene, o-xylene (BTEX), and total BTEX. To date, this is the largest study of its kind in a low- and middle-income country and one of the largest globally. We measured BTEX concentrations at five reference sites and 174 distributed sites identified by a cluster analytic method. Samples were taken over 25 consecutive 2-weeks at five reference sites (to be used for... 

A series of new chlorido-tri­carbonylrhenium(I) complexes bearing alkyl-substituted diazabutadiene (DAB) ligands, namely N,N′-bis­(2,4-di­methyl­benzene)-1,4-di­aza­butadiene (L1), N,N′-bis­(2,4-di­methyl­benzene)-2,3-di­methyl-1,4-di­aza­butadiene (L2), N,N′-bis­(2,4,6-tri­methyl­benzene)-2,3-di­methyl-1,4-di­aza­butadiene (L3) and N,N′-bis­(2,6-diiso­propyl­benzene)-1,4-di­azabutadiene (L4), were synthesized and investigated. The crystal structures have been fully characterized by X-ray diffraction and spectroscopic methods. Density functional theory, natural bond orbital and non-covalent interaction index methods have been used to study the optimized geometry in the gas phase and intra-... 

The solubility of CO2 in the systems of CO2 + benzene, CO2 + n-hexane, and CO2 + toluene was meticulously measured at (293.15, 298.15, and 308.15) K and different pressures using a pressure-volume-temperature (PVT) apparatus. Also the effect of pressure on the solubility of CO2 in the organic solvents used in this work was investigated. The Peng-Robinson equation of state (PR EOS) with only one temperature-independent binary interaction parameter was used in correlating the experimental data. The results showed that the PR EOS can accurately correlate the experimental data for the solubility of CO2 in the organic solvents at high pressure. In case of the systems CO2 + benzene and CO2 +... 

Thiomorpholine 1,1-dioxides were prepared with double Michael addition reaction of aromatic amines to divinyl sulfone catalyzed by boric acid/glycerol in water. This catalyst system was also used for the Michael addition reaction of aromatic amines to electron-deficient alkenes. The reaction is simple and green and gives good to excellent yields  

Titanium nitride-carbon nanocomposites are synthesized by the reaction of TiCl4 and NaN3 in supercritical benzene medium that also serves as a carbon source. The as-prepared precursors (SI, SII) are subjected to several heat treatments (SIII-SV). The synthesized nanoparticles are characterized by X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), and transmission electron microscopy (TEM). The samples are tested as electrocatalyst for oxygen reduction reaction in an alkaline electrolyte. It is shown that the electrocatalytic properties of the synthesized nanoparticles are... 

The purpose of this study was to develop the structure-toxicity relationships for a large group of 268 substituted benzene to the ciliate Tetrahymena pyriformis using mechanistically interpretable descriptors. The shuffling-adaptive neuro fuzzy inference system (Shuffling-ANFIS) has been successfully applied to select the important factors affecting the toxicity of substituted benzenes to T. pyriformis. The results of the proposed model were compared with the model of linear-free energy response surface and also the principal component analysis Bayesian-regularized neural network (PCA-BRANN) trained using the same data. The presented model shows a better statistical parameter in comparison... 

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... 

In this paper, the effects of a baffle plate on flame deflection and its throttling are investigated numerically in a combustor consuming jet propellant JP. We study the plate effects on the resulting soot volume fraction, soot particles diameter, mass fractions of carbon monoxide (CO), carbon dioxide (CO2), and benzene (C6H6). We use a two-equation turbulence model, a PAH-inception two-equation soot model imposing oxidation due to OH agents, a detailed chemical kinetic consisting of 121 species and 2613 elementary reactions, and the flamelet combustion model to perform the current study. We also take into account the turbulence-chemistry interaction using the presumed-shape probability... 

In this article, numerical simulations are performed to investigate the performance of the thermal diffusion column for the separation of n-heptane/benzene mixture. The present work tried to optimize column by analyzing significant parameters such as feed flow rate, temperature and cut. In order to obtain the hydrodynamic and temperature and mass distribution inside thermal diffusion column, computational fluid dynamic (CFD) method is applied to solve the Navier–Stocks equations. Numerical simulations are conducted to study the main parameters in both stationary and time-dependent conditions. By using the separation work unit as a function of cut, the optimal cut for maximum SWU occurs... 

In the present work we obtained a series of NIR luminescent platinum(II) complexes with a pincer N^N^C ligand based on the conjugated {benzoimidazo[1,2-a]pyrazine} system with the [Pt(N^N^C)L]n+ structural motif (L = phosphine, alkynyl or pyridine-type ligands). We have also synthesized two complexes with bidentate phosphines that demonstrate different types of coordination: 1) as chelating ligand (in case of 1,2-bis(diphenylphosphino)benzene), that led to de-coordination of pyridine ring of N^N^C ligand and formation of a [Pt(N^C)dppb]+ complex; 2) as a bridging ligand (in case of bis(diphenylphosphino)methane) between two {Pt(N^N^C)} fragments in a dimeric complex of type... 

The effects of water vapor on CO2/CH4 separation using commercially available poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) and Cardo-type polyimide hollow fiber membranes were investigated. Pure methane and CO2/CH4 mixture permeation experiments were carried out in the absence and presence of water vapor (60% RH). Pure methane permeance decreased in the presence of water vapor for both membrane types. The decrease was 28% for hydrophilic Cardo-type polyimide and 6% for hydrophobic PPO membranes. The decline in the permeance was also observed for CO2/CH4 mixture separation through both membranes. However, selectivities of the two membranes were affected differently by water vapor. The... 

In this paper, different injectivity scenarios were experimentally investigated in a coreflooding system to observe the efficiency of each method in laboratory conditions. Surfactant flooding, CO2 injection, carbonated water injection (CWI), active carbonated water injection (ACWI), after water flooding were investigated through the coreflooding system. First, it is necessary to optimize the surfactant concentration and then use it in ACWI injection. To do this, linear alkylbenzene sulfonic acid (LABSA) was used as a cationic surfactant at different concentrations. It was observed that 0.6 PV concentration of LABSA had an optimum result as increasing the surfactant concentration would not be... 

A series of metal-organic frameworks (MOFs) based on aluminum-benzene dicarboxylates (MIL-53, NH2-MIL-53, and NH2-MIL-101) at different ratios have been synthesized, and their adsorption performances for methotrexate (MTX), an anti-cancer drug, have been investigated in terms of adsorption kinetics, isotherms, solution pH, thermodynamics, mechanism, and recyclability. Maximum adsorption values of 374.97, 387.82, and 457.69 mg/g were observed for MIL-53, NH2-MIL-53, and NH2-MIL-101, respectively. Our study shows that adsorption capacity of MTX depends not only on surface area and pore volume but also on the zeta potential and the presence of suitable functional groups. Higher adsorption of... 

A series of metal-organic frameworks (MOFs) based on aluminum-benzene dicarboxylates (MIL-53, NH2-MIL-53, and NH2-MIL-101) at different ratios have been synthesized, and their adsorption performances for methotrexate (MTX), an anti-cancer drug, have been investigated in terms of adsorption kinetics, isotherms, solution pH, thermodynamics, mechanism, and recyclability. Maximum adsorption values of 374.97, 387.82, and 457.69 mg/g were observed for MIL-53, NH2-MIL-53, and NH2-MIL-101, respectively. Our study shows that adsorption capacity of MTX depends not only on surface area and pore volume but also on the zeta potential and the presence of suitable functional groups. Higher adsorption of... 

The catalytic activity of highvalent iron-oxo active species of heme enzymes is known to be dependent on the nature of the axial ligand trans to the iron-oxo group. In a similar fashion, experimental studies on iron-oxo porphyrin biomimetic systems have shown a significant axial ligand effect on ethylbenzene hydroxylation, with an axial acetonitrile ligand leading to phenyl hydroxylation products and an axial chloride anion giving predominantly benzyl hydroxylation products. To elucidate the fundamental factors that distinguish this regioselectivity reversal in iron-oxo porphyrin catalysis, we have performed a series of density functional theory calculations on the hydroxylation of... 

Implementation of metal organic frameworks (MOFs) in the separation science has attracted many researchers attention. In this study, the role of metal, ligand, the reaction condition and modification on the extraction efficiency of some MOFs was investigated. Among the prevalent reported MOFs, some members of the MIL and MOF–5 families were chosen, and eleven MOF–based sorbents were prepared by changing the metal and ligand type, reaction condition, and/or functionality through post synthetic modification (PSM). MIL–101 and MIL–101–NH2 based structures were initially synthesized based on the chromium and iron salts. Also, three zinc–based structures including MOF–5, [NH2(CH3)2]2... 

Silica aerogel-multi wall carbon nanotube composites were synthesized successfully with a waterglass precursor and an ambient pressure drying method. Pure silica aerogels are so fragile that they cannot be used easily. Carbon nanotubes (MWCNT) were used as reinforcements to strengthen the mechanical properties of pure silica aerogels. Results show that inserting small amounts of MWCNT causes silica aerogels to monolith. By addition of MWCNT, monolith nanocomposites were produced with 800 m2/g surface area and a 140° contact angle. Results show that the silica aerogels and reinforced composites have an excellent adsorption property for the removal of organic pollutants from water. The average...