Sharif Digital Repository

In this study, a fixed-bed catalytic membrane reactor was used for the production of ethylene and cyclohexane from ethane and benzene. A two-dimensional non-isothermal mathematical model was used for estimating the performance of the membrane reactor. Furthermore, the effect of inlet temperature (720–1080 K), feed molar ratio (3–10) and the reactor spacetime (1–76 kgCat.s/mol) was studied on the conversion of ethane to ethylene and benzene to cyclohexane. The results of modeling showed that with the increase of inlet temperature the conversion of both (de)-hydrogenation reactions increased and the 95% of ethane conversion was achieved when the molar ratio of benzene/ethane was fixed on 3.... 

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... 

In this paper, the performance of the benzene gas detection sensor in the air is optimized by an experimental design method. So in this work, Nanostructured thin films of ZnO and Zn2SnO4 were prepared in wurtzite form via a facile atmospheric pressure chemical vapor deposition (CVD) method, using metallic zinc and tin precursors. Characterization of the gas sensor was performed by using Powder X-ray diffraction (PXRD), scanning electron microscopy (SEM) and surface area analysis (using BET method). The results show that Zn2SnO4 nanowire network exhibited good sensitivity at 299 °C temperature to low concentrations (100 ppb) of Benzene which can be potentially used as a resistive gas sensor.... 

The simultaneous oxidation performance of benzene, toluene, ethylbenzene, and xylene (BTEX) by nanoscale calcium peroxide particles (nCaO2) activated with ferric ions (Fe(III)) and the mechanism of the enhancement of BTEX degradation by L-cysteine (L-cys) were investigated. The batch experimental results showed that the nCaO2/Fe(III)/L-cys process was effective in the destruction of BTEX in both ultrapure water and actual groundwater. A proper amount of L-cys could enhance BTEX degradation due to the promotion of Fe(II)/Fe(III) redox cycles by the participation of L-cys, but an excessive presence of L-cys would cause inhibition. Adding 1.0 mM L-cys to the nCaO2/Fe(III) system, the... 

In the present study, a magnetic core-shell metal-organic framework (Fe3O4@PAA@UiO-66-NH2) nanocomposite was synthesized by a facile step-by-step self-assembly technique and used for selective adsorption of the anti-cancer Quercetin (QCT) drug. The synthesized nanocomposite was well characterized using FTIR, XRD, BET, FESEM, and TEM techniques. The adsorption kinetics and isotherms of the magnetic nanocomposites for QCT were investigated in detail at different initial concentrations and temperatures. It was found that the experimental adsorption kinetic and isotherm data were precisely explained by the pseudo-second-order kinetic and Langmuir isotherm models. Moreover, the selective... 

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... 

In the present study, a magnetic core-shell metal-organic framework (Fe3O4@PAA@UiO-66-NH2) nanocomposite was synthesized by a facile step-by-step self-assembly technique and used for selective adsorption of the anti-cancer Quercetin (QCT) drug. The synthesized nanocomposite was well characterized using FTIR, XRD, BET, FESEM, and TEM techniques. The adsorption kinetics and isotherms of the magnetic nanocomposites for QCT were investigated in detail at different initial concentrations and temperatures. It was found that the experimental adsorption kinetic and isotherm data were precisely explained by the pseudo-second-order kinetic and Langmuir isotherm models. Moreover, the selective... 

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... 

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... 

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-... 

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... 

In the present study, the effect of two different kinds of surfactants namely conventional (Sodium dodecyl benzene sulfonate (SDBS)) and ionic liquid (IL)-based surfactants are investigated on the tertiary oil recovery using relative permeability concept. In this way, besides the Amott wettability index measurement, unsteady state core flooding tests are performed to not only find the effect of surfactant injection on tertiary oil recovery, but also to investigate their effects on relative permeability of carbonate rocks. In addition, for more reliable conclusions regarding the possible mechanisms, interfacial tension (IFT), compatibility and emulsification tests are carried out as a... 

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... 

The synthesis of functionalized benzothiadiazine 1,1-dioxide derivatives was achieved through a novel three-component intramolecular C–H activation reaction of trichloroacetonitrile, benzenesulfonyl chloride, and various primary amines. This reaction was performed in the presence of catalytic copper(I) and L-proline as the ligand in tetrahydrofuran at room temperature. © 2018 Elsevier Ltd  

Land use regression (LUR) has not been applied thus far to ambient alkylbenzenes in highly polluted megacities. We advanced LUR models for benzene, toluene, ethylbenzene, p-xylene, m-xylene, o-xylene (BTEX), and total BTEX using measurement based estimates of annual means at 179 sites in Tehran megacity, Iran. Overall, 520 predictors were evaluated, such as The Weather Research and Forecasting Model meteorology predictions, emission inventory, and several new others. The final models with R2 values ranging from 0.64 for p-xylene to 0.70 for benzene were mainly driven by traffic-related variables but the proximity to sewage treatment plants was present in all models indicating a major local... 

We synthesized a titanium dioxide–polyaniline core–shell nanocomposite and implemented it as an efficient sorbent for the needle-trap extraction of some volatile organic compounds from urine samples. Polyaniline was synthesized, in the form of the emeraldine base, dissolved in dimethyl acetamide followed by diluting with water at pH 2.8, using the interfacial polymerization method. The TiO2 nanoparticles were encapsulated inside the conducting polymer shell, by adapting the in situ dispersing approach. The surface characteristics of the nanocomposite were investigated by Fourier transform infrared spectrometry, scanning electron microscopy, and transmission electron microscopy. After... 

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... 

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... 

In the present work, the roles of inorganic oxide nanoparticles on the extraction efficiency of polyethylene terephthalate-based nanocomposites were extensively studied. Four fiber coatings based on polyethylene terephthalate nanocomposites containing different types of nanoparticles along with a pristine polyethylene terephthalate polymer were conveniently electrospun on stainless steel wires. The applicability of new fiber coatings were examined by headspace-solid phase microextraction of some environmentally important volatile organic compound such as benzene, toluene, ethylbenzene and xylene (BTEX), as model compounds, from aqueous samples. Subsequently, the extracted analytes were... 

The present study was carried out to evaluate the degradation efficiency of benzene, toluene, and xylene (BTX) by isolated bacteria from various petroleum-hydrocarbons contaminated sites. Five isolated bacteria were selected for testing BTX biodegradation from liquid culture media. Each of these bacteria was able to degrade BTX but with different efficiencies. Maximum biodegradation efficiency for benzene (more than 70 %) was obtained by Gram-positive coccobacillus, Gram-positive coccus and Gram-negative bacillus bacteria, for toluene (60 %) and xylene (70 %) by Gram-positive coccobacillus and Gram-negative coccobacillus. It was found that the presence of xylene in the substrate mixture...