Sharif Digital Repository

Magnetic nanocomposite hydrogels containing different amounts of graphene oxide were synthesized and characterized by FTIR, XRD, TGA, SEM, TEM, VSM and UV-vis spectroscopy. The prepared hydrogels were used as adsorbents for removal of a cationic dye, crystal violet, from water. The kinetics and isotherm of adsorption and the effect of different experimental conditions such as graphene oxide content, pH of the solution, contact time, adsorbent dosage and initial dye concentration on adsorption capacity were then investigated. Parameters related to kinetics and isotherm models were calculated and discussed. It was found that adsorption is well-described by pseudo-second-order kinetics and... 

Activated carbon beds are extensively used in sweetening units of natural gas refineries for the purification of contaminated amine solutions. Correlation of experimental adsorption data using an analytical isotherm equation is need to design an accurate activated carbon bed. In the present study, the adsorption of BTEX from Diethanolamine (DEA) solution by commercial and granular activated carbon (AC) were performed. The Langmuir, Freundlich and Sips isotherm models were used to describe the equilibrium data. The accuracy of the results obtained from the adsorption isotherm models was compared and the values for the regressed parameters were reported. The results show that the Freundlich... 

Adsorption of molecular and atomic oxygen on neutral and negatively charged PdxCu3-x (x=0-3) nano-clusters have been studied by density functional theory. It has been observed that modes and energies of adsorption strongly depend on the charge and composition of the nano-clusters. The most stable adsorption mode for molecular oxygen on neutral Pd/Cu nano-clusters is to bridge Pd-Cu site (adsorption energy=-103.7kJmol-1) while on negatively charged nano-clusters bridging of Pd-Pd or Cu-Cu are more stable adsorption modes (adsorption energies=-140.9 and -172.9kJmol-1). Also, the most stable adsorption mode for atomic oxygen on neutral Pd/Cu nano-clusters is on the hollow site (adsorption... 

Corrosion behaviour of copper metal in acid solutions (HCl, H 2SO4 and H3PO4) containing 2-amino-5-mercapto-1,3,4-thiadiazole (AMT) was investigated experimentally and theoretically via gravimetric, potentio-dynamic and quantum electrochemical approaches. Similar behavior was observed for H2SO4 and H3PO4 media, and related to the nature of anions at metal/solution interface. With regard to HCl, however, the rate of corrosion was determined to be low at initial stages, but high later on using an auto-catalyzing mechanism. In the presence of AMT, the experimental studies revealed that this molecule was a good anodic-type inhibitor causing substantial changes in corrosion potential. Moreover,... 

A new magnetic nano-adsorbent was synthesized via the radical polymerization of methyl acrylate on modified Fe3O4 nanoparticles, followed by its functionalization by amidation of the methyl ester groups using pentaethylenehexamine, to create active adsorption sites for removing anionic dyes from aqueous media. Physicochemical properties of the adsorbent were then characterized by SEM, TEM, XRD, FTIR, TGA and CHN analysis. The prepared nanocomposite was used as adsorbent for the removal of anionic dyes, naphthol green B and chromeazurol S, from aqueous solution and assessed in view of the kinetics and isotherm adsorption, and the effect of solution pH, contact time and initial dye... 

A novel superabsorbent composite based on kappa-Carrageenan (κC) was prepared by graft copolymerization of acrylamide (AAm) onto κC in the presence of bentonite powder using methylenebisacrylamide (MBA) as a crosslinking agent, ammonium persulfate (APS) as an initiator, and sodium carbonate as a pore-forming agent. The swelling behavior in distilled water and in solutions with different pH values was investigated. The results indicated that with increasing carrageenan/bentonite weight ratio, the swelling capacity is increased but the gel content is decreased. The swelling rate of the hydrogels was improved by introducing sodium carbonate as pore-forming agent. The prepared superadsorbent... 

The present investigation demonstrates the effective removal of Hg(II) ions from aqueous solution by means of thiol-functionalized magnetic nanoparticles (TF-MNPs). After preparation, TF-MNPs have been characterized using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), Fourier transform-infrared spectroscopy (FT-IR), Thermogravimetric (TG) and vibrating sample magnetometer (VSM). The XRD and FESEM analyses revealed the presence of magnetic nanoparticles with an average particle size of 15–30 nm. The result of FT-IR analysis confirmed that the magnetite nanoparticles have been successfully functionalized by thiol groups. The particles illustrated enough response... 

Adsorption and dissociation of NO on RhxCu4-x(x = 0–4) nano clusters were investigated using density functional theory. Adsorption energy, total charge on NO, NO bond length, and NO vibrational frequency for various modes of NO adsorption were analyzed. Adsorption from the nitrogen end of NO on the Rh atom(s) of the clusters are more favored and adsorption energies are in the −1.02 eV to −2.59 eV range. NO binds stronger to Rh-Cu mixed clusters compared to pure Cu4 cluster, so N[sbnd]O bond is significantly weakened upon adsorption on the former. NO binding to more atoms of the clusters results in a corresponding decrease of the N[sbnd]O vibrational frequency. Dissociation of NO was also... 

This work presents the results of numerical simulation of liquid flow on a static bubble. Velocity and surfactant concentration profiles of the liquid around a bubble exposed in flow field were estimated via unsteady CFD solution. Governing equations are the Navier-Stokes and conservation of mass in the liquid bulk and at the interface. Resulted profiles of surfactant concentration and velocity in the liquid bulk are used to determine the dynamic surface tension data via two adsorption isotherms of Langmuir and Frumkin. Data of dynamic surface tension were validated via experimental data of “bubble in flow field” protocol. Surface concentrations of surfactants were also numerically... 

In this study, dynamic adsorption behavior of different gaseous volatile organic compounds (VOCs) on a new modified M-MIL-101(Cr) was investigated with a great emphasis on gasoline adsorption. The M-MIL-101(Cr) was synthesized, along with comprehensive purification procedures, using a new linker to cluster molar ratio (2:1 instead of 1:1) and different modulators (i.e. HF and HNO3). All prepared adsorbents were characterized by XRD, FTIR, FE-SEM and N2 adsorption-desorption at 77 K. The results showed that surface area and pore volume of the M-MIL-101@Free (i.e. modified MIL-101(Cr) with using any modulator) which were 4293 m2/g and 2.43 cm3/g, greatly elevated up to 37.2% and 71.6% against... 

In this study, the dynamic adsorption of asphaltene on a calcite surface is investigated. This study investigates the effect of mixed-salt brines on asphaltene adsorption. The results of this work can facilitate the understanding of the complex wettability behaviour of carbonate reservoirs. All experiments were performed in porous media, which were sand-packs filled with calcite powder, to study the influence of the type and concentration of salt on adsorption. The experiments were conducted with asphaltene concentration of 500 mg/L for brines of NaCl, Na2SO4, and a mixture of the two at various ionic strengths. In addition, two tests were performed with an asphaltene concentration of 2000... 

Titanium type lithium ion-sieve nanotubes synthesized by the hydrothermal method were extensively explored over recent years due to its promising properties. However, on account of nanotubes′ tangled structure impeding the lithium adsorption in the interior nanotube walls, unalterable dimensions of the synthesized nanotubes, and a long period of annealing, the anodizing technique was proposed. It is shown that lithium uptake and adsorption capacity is improved because of easier mass transfer during the ion exchange process. This work focuses on a novel anodizing method for nanotube ion-sieve synthesis. The optimum anodizing condition was discovered by altering anodizing voltage, time, and... 

This study evaluates the effectiveness of adsorption process by Granular Activated Carbon (GAC) compared with a novel formulation of coagulation - flocculation process for dye removal from textile wastewater. In this regard, acidic, reactive, disperse and direct red dye are used to prepare the synthetic dye. Dominant wave length for each dye is determined by spectrophotometeric method. Using GAC as adsorbent, equilibrium time and adsorption isotherm of each dye are determined with aid of spectrophotometric method. The results show that GAC can not remove dispersed red dye. Acidic red, direct red and reactive red of 5 mg/L concentration are removed by GAC up to %90, %88 and %43 in 30, 60 and... 

The current study presents a simple and scalable method for the synthesis of (aminomethyl)phosphonic acid-functionalized graphene oxide (AMPA-GO) adsorbent. The chemical structure of the new material was disclosed by different instrumental analyses (e.g. FTIR, Raman, XPS, AFM, TEM, XRD, CHN, and UV), and two pertinent mechanisms namely nucleophilic substitution and condensation were suggested for its formation. Adsorption experiments revealed that both AMPA-GO and plain GO have a high affinity toward Th(IV) ions, but the AMPA-GO is superior in terms of adsorption capacity, rate of adsorption, selectivity, pH effect, etc. Indeed, the AMPA-GO can uptake Th(IV) nearly instantaneously, and... 

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,... 

Application of construction and demolition (C&D) wastes were considered as sustainable development goals (SDGs) for maintaining raw materials. Also, lightweight concretes such as aerated autoclaved concrete (AAC) were used for partitioning spaces in the building industry. Moreover, the waste products of the mentioned materials were increased due to the rise of old construction demolitions. This study contributes a calcinated aerated autoclaved concrete (CAAC) which is efficient, powerful, highly rapid, non-expensive and novel adsorbent for the removal of cationic dyes including malachite green (MG), methyl violet (MV) and methylene blue (MB) form water samples. The impacts of different... 

This study focuses on developing an efficient material that integrates high adsorption performances of dye and antibiotics as well as effective oxidation activity of it. Herein, we report a facile method to synthesize polyresorcinol@CoFe2 O4 via a one-step hydrothermally route. The prepared composite possesses multifunctional performance for methylene blue (MB) and tetracycline (TC) removal with appropriate magnetic separation operation and significant removal ability with an adsorption capacity of 51.48 and 28.16 mg g–1, respectively. Meanwhile, the aforementioned composite exhibits a high oxidation activity toward MB and TC molecules where the adsorption capacity increases to 1,723 and 120... 

The effect of new corrosion inhibitors, namely pyridine, 2-methylpyridine (2-picoline), 4-methylpyridine (4-picoline), 2,4-dimethylpyridine (2,4-lutidine), on the corrosion of Al-surface in hydrocholoric acid (HCl) and nitric acid (HNO3) was investigated at the HF and B3LYP level using the ab initio 6-3IG and LANL2DZ basis sets from the program package Gaussian 98 (A.7 Public Domain version). The physico-chemical properties of corrosion inhibitors are one of the principal criteria for the determination and selection of inhibitors. The inhibition of the Al-surface in solutions of hydrocholoric acid and nitric acid by some N-heterocyclic compounds has been studied. The calculated results... 

Nowadays, the world is facing a shortage of fresh water. Utilizing adsorbent materials to adsorb air moisture is a suitable method for producing freshwater, especially combining the adsorption desalination system with solar energy devices such as solar collectors. The low temperature of solar collectors has caused some water to remain in the adsorbents in the desorption process and has reduced the possibility of using these systems. In this research, for the first time, an evacuated tube collector (ETC) is used as an adsorbent bed so that the temperature of the desorption process reaches higher values and as a result, more fresh water is expected to produced. In this study, two adsorption... 

A series of ZIF-8/OND hybrid nanostructures with different percentages of oxidized nanodiamond (OND) was prepared. Then, the adsorptive removal performance of pristine ZIF-8 and its nanohybrids with OND towards methylene blue (MB) was investigated. The fabricated adsorbents were characterized via thermogravimetric analysis, X-ray diffraction, Fourier transform infrared spectroscopy, nitrogen adsorption/desorption, field emission scanning electron microscopy and zeta potential measurements. The maximal adsorption capacity of ZIF-8 (242 mg/g) was found to grow steadily with the increment in OND content and reached an approximate plateau at 343 mg/g for the nanohybrid containing 5 wt% OND, i.e....