Sharif Digital Repository

Unsymmetrical dimethyl hydrazine (UDMH) is a strong propellant, which due to its very good physical properties and high power of repellency has been utilized as a liquid fuel for fighter jet engines for so many years. There are different methods for production of this material. One of the more efficient ones which results in higher yields compared to others is the catalytic hydrogenation of Nitroso Dimethylamine (NDMA). In this work hydrogenation of NDMA to UDMH on a 5% Pd/C in aqueous solution of NDMA was studied experimentally. Experiments were carried out in a Semi-batch three phase STR reactor under constant pressure and temperature in the range of 40 to 70°C, pressures of up to 15 bar... 

Lipoproteins are biochemical compounds containing both proteins and lipids. These particles carry chemicals like cholesterol and triglycerides that are not soluble in aqueous solutions. This paper presents modeling of lipoprotein system using coarse grain molecular dynamics technique and stability analysis of this system in a water solution like blood. A high density lipoprotein (HDL) that consists of two annular monomers is modeled. Also there are lipid bilayers located in center of the rings, so the whole HDL and lipid bilayers are called lipoprotein system. First, all atom model is provided and then coarse-grain model is obtained using MARTINI technique. Modeling of the system in all atom... 

In this study, the quantitative structure-property relationship method is applied to predict the enthalpy of fusion of pure chemical compounds at their normal melting point. A genetic algorithm-based multivariate linear regression is used to select the most statistically effective molecular descriptors for evaluating this property. To propose a comprehensive and predictive model, 3,846 pure chemical compounds are investigated. The root mean square of error and the average absolute deviation of the model are equal to 2.57 kJ/mol and 9.7%  

The artificial neural network-group contribution (ANN-GC) method is applied to estimate the standard enthalpy of combustion of pure chemical compounds. A total of 4590 pure compounds from various chemical families are investigated to propose a comprehensive and predictive model. The obtained results show the squared correlation coefficient (R 2) of 0.999 99, root mean square error of 12.57 kJ/mol, and average absolute deviation lower than 0.16% for the estimated properties from existing experimental values  

In typical photocatalytic processes slurry reactors are used in which catalyst particles have to be separated from the solution after the process ends which means much higher time and costs. Hence, immobilizing process is carried out on the catalyst to overcome this problem. In this work, fiber and network geometries were produced by particle precipitation on substrates. The obtained structures were characterized by XRD, SEM, and Brunauer–Emmett–Teller analyses. Photocatalytic performance of the samples was investigated by methyl orange degradation and also by hydrogen generation from water/methanol splitting. From the SEM images, the size range of the TiO2 particles in the network... 

We propose a facile and cost effective method for fabricating superhydrophobic surfaces with significant drag reduction in a wide velocity range. A dual structure superhydrophobic aluminum surface with a hydrophobic Al2O3micro- and nanoparticle coating and also another superhydrophobic surface with a nanoparticle layer coating are fabricated. Then, the resulted drag from each of these surfaces is measured carefully in different velocities and compared with the drag of the as-received aluminum surface. Our results reveal that the surface with the dual structure experiences drag reduction in a wider velocity range compared with the nanoparticle coated sample. Drag reduction of the dual... 

An improved and efficient method for the synthesis of 1- & 5-substituted 1Htetrazole derivatives was described in the presence of nano-ordered MCM-41-SO3H as an effective heterogeneous catalyst. This metal-free protocol, [2 + 3] cycloaddition of sodium azide to various nitriles or ethyl N-phenyl formimidate intermediate under mild reaction conditions, provides a wide range of 1H-tetrazoles in good to excellent yields. The catalyst was reused five times without significant loss of catalytic activity. © 2019 Sharif University of Technology. All rights reserved  

An improved and efficient method for the synthesis of 1- & 5-substituted 1Htetrazole derivatives was described in the presence of nano-ordered MCM-41-SO3H as an effective heterogeneous catalyst. This metal-free protocol, [2 + 3] cycloaddition of sodium azide to various nitriles or ethyl N-phenyl formimidate intermediate under mild reaction conditions, provides a wide range of 1H-tetrazoles in good to excellent yields. The catalyst was reused five times without significant loss of catalytic activity. © 2019 Sharif University of Technology. All rights reserved  

This paper presents a new method for spectrophotometirc detection of sulfide applying fungal peroxidase immobilized on sodium alginate. The sensing scheme was based on decrease of the absorbance of the orange compound, purpurogallin produced from pyrogallol and H2O2 as substrates, due to the inhibition of peroxidase by sulfide. Absorbance of purpurogallin was detected at 420nm by using a spectrophotometer. The proposed method could successfully detect the sulfide in the concentration range of 0.6-7.0μM with a detection limit of 0.4μM. The kinetic parameters of Michaelis-Menten with and without sulfide were also calculated. Possible inhibition mechanism of peroxidase by sulfide was deduced... 

Microbial electrolysis cells (MECs) are bioelectrochemical reactors in which chemical energy stored in organic compounds are converted to hydrogen through biocatalytic oxidation by microorganisms. The performance of MECs is highly affected by microbial communities that are impartible parts of this technology. A better understanding of microbial interactions and competitions mechanisms, has aided the comprehension of ideas and guidelines for cost effective commercial scales design. In this study, a comprehensive review of current knowledge in the microbial characterization, enrichment, and evaluation of effective parameters of microbial community in microbial electrolysis cells for typical... 

Abstract: In this investigation, monodisperse CuGaS2 nanoparticles intended for use as visible-light-absorbing materials were synthesized using a facile one-step heating method that involved dissolving the precursors copper chloride, gallium acetylacetonate, and thiourea in a solvent consisting of either oleylamine alone or a combination of oleylamine, oleic acid, and 1-octadecene. The shapes of the resulting nanoparticles were either elongated, polygonal, or a mixture of both, depending on whether the crystal structure of the nanoparticles was predominantly wurtzite, predominantly chalcopyrite, or a more balanced mixture of both wurtzite and chalcopyrite (i.e., the nanoparticles were... 

This study investigated the removal of triethylamine using a biotrickling filter. The influence of affecting parameters, such as height and recirculation liquid rate (VL) on contaminant removal efficiency, was examined in detail. The results demonstrated that in the constant empty bed residence time (EBRT), when VL was increased, the removal efficiency (RE) increased. Also, for a specific VL, increasing EBRT could also increase RE values. However, it seems that an increasing VL is a more cost-effective way to enhance RE as compared to an increasing EBRT. The obtained outcomes represented that for a constant EBRT, an increase in inlet loading (IL) could decrease RE. For lower ILs, the removal... 

Terahertz spectroscopy is a useful and an efficient method for detection of pure materials and also mixture compounds. In the present study the terahertz spectra of the α-lactose, high explosives RDX and also the binary mixture of mentioned materials has been obtained in the transition mode. The obtained spectra of the pure materials were in a very good agreement with literatures in the range of 0.1 to 1.5 terahertz. The spectra of mixture samples which show the specific fingerprint characters of each component, declare that terahertz spectroscopy can be used effectively for the detection of explosives and chemical compounds even in the mixture samples. © 2016 IEEE  

The aqueous phase reforming (APR) reaction of glycerol considered to be environmentally green. It converted polyols into value added products including; H2 and alkanes. Ni species known for its capability of producing alkane-rich gas under the APR process conditions might be utilized for this purpose. In this research, the conversion of glycerol into alkanes demonstrated using 10wt% Ni/CexZr1-xO2 (with x = 0, 0.3, 0.5, 0.7 and 1) catalysts. In order to better understand the behavior of these materials, they were evaluated physio-chemically through the; XRD, BET, H2-TPR, H2-Chemisorption and TEM analyses. Moreover; performances of the synthesized materials were determined through their... 

The supernatant obtained from the extracellular laccase produced by Phanerochaete chrysosporium was used as the enzyme source to conduct a partial purification, characterization and dye decolorization study. The partially purified enzyme was stable in the pH range of 3–5 and showed an optimum activity at pH 4.0, using guaiacol as a substrate. Laccase stability of pH was determined and discovered to retain 100% of its activity at a pH of 4.0 after 2 h. The maximum enzyme activity was obtained between 30 and 50 °C. The maximum velocity and Michaelis constant were calculated as 3.171 µM−1·min and 1628.23 µM, respectively. The enzyme was activated by Fe2+, Zn2+, Ca2+ and Cu2+, while Hg2+, Mn2+,... 

In this work, for the first time, we presented a novel design strategy to fabricate a new type of Octa-aminopropyl polyhedral oligomeric silsesquioxane hydrochloride salt (OA-POSS)-based Alg/PAAm DN gels, consisting of PAAm gel as the first chemical network and Alg/OA-POSS gel as the second chemical-physical network. Incorporation of OA-POSS nanoparticles with various feed ratio into the second network not only led to form strong coordination interactions but also in comparison to the other Alg/PAAm gels demonstrated superior mechanical properties. pH, temperature, contact time and salt effects parameters were studied on the swelling and dye removal properties of the synthesized DN hybrid... 

The main goal of this research is to use the biomass productivity, carbohydrate content, and carbohydrate productivity as useful responses for optimization of macronutrients concentrations (K2HPO4, NaHCO3, and NaNO3) in cultivation of Spirulina microalgae as a feedstock for bioethanol production. In this study, individual and synergistic effects of medium components on the mentioned responses were investigated. The culture medium was optimized using central composite design for achieving the maximize biomass productivity (165 mg L−1 day−1 at K2HPO4: 438 mg L−1, NaHCO3: 15.92 g L−1, and NaNO3: 0.5 g L−1), carbohydrate content (42.0% of dry mass at K2HPO4: 192 mg L−1, NaHCO3: 5.71 g L−1, and...