Sharif Digital Repository

Disposal of contaminated wastewater causes many serious problems especially when it gets mixed with the ground and seawater. It is, therefore, important to apply any remedial action to eradicate dangerous pollutants from the aqueous effluents and to avoid exposure of this wastewater to aquatic life. The research results discussed herein deal with the removal of Rhodamine B (RhB) and Congo Red (CR) dye from wastewater by using multi-walled carbon nanotubes (MWCNTs) as an adsorbent. Different factors like solid dosage, initial pH and concentration, time, and temperature were studied to understand the behavior and mechanism of adsorption. The maximum adsorption capacity in case of a single... 

The fabrication of the C6N7 monolayer [Zhao et al., Sci. Bull. 66, 1764 (2021)] motivated us to discover the optical, structural, mechanical, and electronic properties of the C6N7 monolayer by employing the density functional theory (DFT) method. We find that the shear modulus and Young's modulus of the C6N7 monolayer are smaller than the relevant values of graphene. However, Poisson's ratio is more significant than that of graphene. Applying the PBE (HSE06) functional bandgap of the C6N7 monolayer is 1.2 (1.97) eV, and the electronic dispersion is almost isotropic around the Γ point. C6N7 is more active in the ultraviolet region as compared to the visible light region. This study provides... 

H2S and CO2 are the main impurities in raw natural gas, which needs to be purified before use. However, the comprehensive utilization of H2S and CO2 has been ignored. Herein, we proposed a fully resource-based method to convert toxic gas H2S and greenhouse gas CO2 synchronously into CO and elemental S by using a novel electrochemical reactor. The special designs include that, in the anodic chamber, H2S was oxidized rapidly to S based on the I−/I3− cyclic redox system to avoid anode passivation. On the other hand, in the cathodic chamber, CO2 was rapidly and selectively reduced to CO based on a porous carbon gas diffusion electrode (GDE) modified with polytetrafluoroethylene and cobalt... 

Sufficient quantity of trace metals is essential for a well performing anaerobic digestion (AD) process. Among the essential trace elements in active sites of multiple important enzymes for AD are iron and nickel ions. In the present study, iron and nickel in the form of Fe2O3 and NiO were coated on TiO2 nanoparticles to be used in batch and continuous operation mode. The effect of TiO2, Fe2O3–TiO2, and NiO–TiO2 nanoparticles on each step of AD process was assessed utilizing simple substrates (i.e. cellulose, glucose, acetic acid, and mixture of H2–CO2) as well as complex ones (i.e. municipal biopulp). The hydrolysis rate of cellulose substrate increased with higher dosages of the coated... 

In this study, a numerical study on failure assessment and stress distribution on the adhesive region in a composite T-joint under bending load case is investigated using cohesive zone method (CZM). The Finite Element Model (FEM) has been verified with experimental results. To study the load transfer capability of the T-joint, five different adhesives are considered in the adhesive region and the effect of geometrical parameters such as stringer thickness, corner radius, and adherend thickness as well as micromechanical properties of reinforced fiber composite adherends are investigated. Effective properties of two composite adherends including Carbon-Epoxy (IM7/8552) and Glass-Epoxy... 

In this research, a series of NiO–MgO–SiO2 catalyst samples with various nickel contents (5, 10, 15 and 20 wt %) were prepared by a co-precipitation method followed by a hydrothermal treatment and employed in propane steam reforming. The analyses revealed that the enhancement of the nickel content up to 15 wt % improved the propane conversion to 98.6% at 550 °C. Nonetheless, further increase in the nickel loading reduced the catalyst activity due to the formation of larger and more poorly dispersed active sites. Besides, 15 wt % nickel loading led to the high resistance against coke deposition with no detectable carbon on the catalyst surface. In addition, it was revealed that, the decrease... 

In this study, 15 wt. % NiO-MgO-SiO2 catalysts modified by La2O3 promoter were prepared through a co-precipitation route and employed for syngas production via propane steam reforming. Various techniques including X-Ray diffraction, BET, TPR, CO2-TPD, CO-chemisorption, TPO, and Scanning electron microscopy were utilized to characterize the final samples. The results indicated that the incorporation of La2O3 enhanced the metal-support interaction providing less reducible Ni species. In comparison with the La-free catalyst, the promoted ones possessed higher metal dispersion and smaller Ni particles. Nonetheless, excessive amounts of La covering the active sites negatively decreased the Ni... 

Graphene oxide (GO) was chemically modified withpara-aminobenzoic acid (PABA) to immobilize copper(ii) ions on its surface and used as a nanocatalyst for the oxidative C(sp2)-H bond amination reaction. A practical method to prepare Cu2+supported onpara-aminobenzoic acid grafted on GO was reported. The prepared Cu2+@GO/PABA was characterized by FT-IR, XRD, SEM, AFM, TEM, UV-Vis, and ICP techniques. The results showed that the morphology, distribution, and loading of copper ions could be well-adjusted by grafting of PABA on GO. Moreover, just 2 mol% of Cu2+@GO-PABA could catalyze the C-H activation reaction of benzoxazole and benzothiazole with secondary amines in >94% yields. Also, the... 

In this study, a novel idea was utilized for designing high performance bilayer absorber for X-band frequency. The microwave dissipation features of the bilayer structure absorbers with one-layer bare resin epoxy and the other epoxy resin filled with [CaTiO3/ZnFe2O4]@C nanocomposite as lossy filler were simulated with CST studio suite within 2–18 GHz. The lossy filler was successfully developed via chemical method. In the first step two distinct single layer absorbers of bare resin epoxy and resin epoxy filled with [CaTiO3/ZnFe2O4]@C nanocomposite ([CT/ZF]@C) were prepared and in the second step the measured electromagnetic parameters were considered as input data of CST studio suite for... 

In this research, carbon nanotube decorated with Cu nanoparticles (CNT/Cu) was synthesized by a new solvothermal process. Solvothermal treatment of CuSO4 and NaOH was completed in ethanol containing ultrasonically dispersed CNTs at 160 °C for 3 h. In the solvothermal process, Cu nanoparticles were heterogeneously deposited on the surface of COOH-functionalized CNTs through the reduction of the Cu+2 ions. Cu nanoparticles with the size of ≈8 nm on CNTs (and some in the solution) and strong bonding between Cu and CNT were obtained by the used process. Microstructural characterization revealed that the solvothermal method is an appropriate method for producing homogenous CNT/Cu nanostructure.... 

In this research, polyaniline@Ba0.5Sr0.5Fe12O19@MWCNTs nanocomposite was prepared via co-precipitation and in-situ polymerization methods, respectively. Microstructural, magnetic and electromagnetic wave absorption analysis of the prepared nanocomposite were studied via XRD, FESEM, VSM and VNA. Compared with Ba0.5Sr0.5Fe12O19@MWCNTs, the microwave absorption bandwidth of the coated nanocompoite with polyaniline was significantly enhanced, which increased to approxiamately 4 GHz from 3 GHz. The effective microwave absorption performance of the Ba0.5Sr0.5Fe12O19@MWCNTs nanocomposite was attributed to increase in the interfacial polarization, improvement in impedance matching as well as porous... 

Coupling of side chain dynamics over long distances is an important component of allostery. Methionine side chains show the largest intrinsic flexibility among methyl-containing residues but the actual degree of conformational averaging depends on the proximity and mobility of neighboring residues. The 13C NMR chemical shifts of the methyl groups of methionine residues located at long distances in the same protein show a similar scaling with respect to the values predicted from the static X-ray structure by quantum methods. This results in a good linear correlation between calculated and observed chemical shifts. The slope is protein dependent and ranges from zero for the highly flexible... 

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... 

Prostate cancer (PCa), the second most malignant neoplasm in men, is also the fifth leading cause of cancer-related deaths in men globally. Unfortunately, this malignancy remains largely asymptomatic until late-stage emergence when treatment is limited due to the lack of effective metastatic PCa therapeutics. Due to these limitations, early PCa detection through prostate-specific antigen (PSA) screening has become increasingly important, resulting in a more than 50% decrease in mortality. Conventional assays for PSA detection, such as enzyme-linked immunosorbent assay (ELISA), are labor intensive, relatively expensive, operator-dependent and do not provide adequate sensitivity.... 

In the past few years, most studies have focused on smart substances that can respond to changes in the environment, as they can be appropriately applied in different fields, including biosensing, biotechnology, and drug delivery. Here, new fluorescent carbon dots (CDs) are synthesized by Terebinth by designing a simple and single-stage hydrothermal path, which facilitates the manufacture of CDs with no need for boring artificial methods, or using poisonous/costly solvents and starting substances. The method is used to concurrently form CDs and passivate their surface, which results in inherently emitted fluorescence. The study of the structure and optical features of the resulting CDs... 

In this paper, the pyrrolic nitrogen functional group's presence is investigated in the selective adsorption of CO2. The grand canonical Monte Carlo (GCMC), molecular dynamics (MD), and density functional theory (DFT) were used for this study's goal. GCMC was used to calculate adsorption isotherms, selectivity, and isosteric heats. MD was used to calculate the radial distribution function (RDF) and diffusion. Reactivity parameters, electrostatic potential (ESP), reduced density gradient (RDG), and independent gradient model (IGM) were calculated using DFT. Adsorption isotherms, selectivity, and isosteric heats demonstrated that the NH group caused the selective adsorption of CO2 among CH4,... 

Carbon fiber (CF) as a multifunctional material with superb performance in aviation industry has serious drawback such as impedance mismatch which restricted the capability of using it as microwave absorber materials. In this research, a novel hierarchical carbon fiber@La0.7Sr0.3MnO@NiO (CF/LS/N) composite was facilely and successfully synthesized via sol-gel and subsequent hydrothermal reactions. The structural, morphological, magnetic and electromagnetic behavior of the composite were precisely evaluated via XRD, FESEM, XPS, VSM and VNA analysis. According to the systematic evaluation results, the synergistic positive effect of adding NiO nanoparticles is revealed in improving the... 

Low salinity water flooding (LSWF) has the potential to enhance the oil recovery by affecting the fluid-fluid and rock-fluid interactions. Therefore, a systematic investigation on the effect of initial wetting state (water-wet or oil-wet) of pure calcite is conducted to study the importance of these interactions on the effectiveness of LSWF. In the case of initially water-wet cores, more oil recovery efficiency is observed for more saline water cases. To shed light on the possible involved mechanisms, dynamic IFT, dynamic contact angle (CA), oil/brine and rock/brine surfaces zeta potentials, and effluent pH are measured. It is shown that the short-term effect of IFT reduction and long-term... 

Polyamide 6 (PA6)/carbon nanotube (CNT)/conductive carbon black (CCB) nanocomposites with the incorporation of physical and chemical dispersants were prepared via melt blending method to examine the synergistic enhancement of electrical conductivity. Investigation of modified CNT with octadecyl triphenyl phosphonium chloride (OTPC-CNT) as physical dispersant was performed by Fourier transform infrared, nuclear magnetic resonance, Raman spectroscopy, and thermogravimetric analysis. Morphological, electrical, rheological, and mechanical properties of PA6/CNT/CCB nanocomposites were examined by field emission scanning electron microscopy, transmission electron microscopy, digital insulation... 

In this research, the effect of alternative fuels and the inlet charged air temperature is numerically investigated on the performance of a turbocharged spark-ignition engine. For this purpose, a one-dimensional engine and turbocharger model is created in an engine simulation and performance analysis software and validated with former experimental results. Then, the model is run with four fuel types, including two gasoline types with different octane numbers and two ethanol–gasoline blend fuels—E25 and E85. In each case, the inlet charged air temperature is changed from cold to hot condition and performance characteristics such as the spark advance timing, brake torque, brake-specific fuel...