Sharif Digital Repository

A mathematical model for a fixed bed radial flow catalytic reactor was developed for dehydrogenation of heavy paraffins over Pt-Sn/Al2O3 catalyst. The model included appropriate kinetic rate expressions for the main dehydrogenation reaction as well as side reactions and catalyst deactivation. The reactor model consisted of a set of partial and ordinary as well as algebraic equations that were solved numerically to determine the concentration of various species along the radius of the bed as a function of time. The Nelder-Mead optimization method was used to obtain the optimum kinetic parameters. The validity of the model was demonstrated by comparing the predicted paraffin conversion and... 

Due to the strong magnetic anisotropy energy, the L10 FePt nanocrystals are considered as one of promising candidates for magnetic recording media with ultrahigh densities. The surfaces of Si and SiO2 wafers have been covered by FePt nanoparticles (NPs) and heated at 600 °C for 1 h to form the L10 phase. Bonding of NPs with the SiO2 surface in the presence of magnetic field during annealing process controls the L10 FePt NPs size and their uniform surface distribution. In the presence of perpendicular magnetic field to the surface, the size of NPs obtains up to 30 nm with coercivity of 5.8 kOe and in parallel magnetic field, the NPs size reaches to 45 nm with coercivity of 2.9 kOe. These... 

A nanowire arrays system consisting of an ordered configuration of Pt, Ni and Co was constructed in single-bath solution through pulse electrodeposition. This structure was evaluated as a potential amperometric non-enzymatic sensor to detect glucose in alkaline solution. We observed a strong and fast amperometric response at low applied potential of 0.4 V vs. SCE over linear ranges of 0-0.2 mM and 0.2-8 mM glucose with sensitivities of 1125 and 333 μA mM-1 cm-2, respectively. We also observed a low detection limit for glucose of 1 μM. Correlation of the electronic and geometric modifications with the electrochemical performance characteristics enhanced catalytic activity of the electrode by... 

Effect of alkaline metal salts on the solvent extraction of platinum from leached spent dehydrogenation catalysts (Pt/Al2O3) in aqua-regia by the Trioctylphosphine oxide (TOPO) has been investigated. Best salting out effect was achieved using KCl as the additive salt in which process upto 90% of Platinum extraction achieved. Response Surface methodology utilized in order to design the experiments, model the extraction process for platinum and aluminum as well as; optimize the whole process. It was shown that solvent extraction of platinum by TOPO was kinetically fast and the needed equilibrium time for it was less than 30 seconds. In the present study, proposed models for platinum and... 

The energetics and kinetic energy barriers of vacancy/atom exchange in a 37-atom truncated octahedron Ag-Pt binary cluster in the Ag-rich range of compositions are investigated via a first-principles atomistic approach. The energy of the local minima obtained considering various distributions of a single vacancy and a few Pt atoms within the cluster and the energy barriers connecting them are evaluated using accurate density-functional calculations. The effects of the simultaneous presence of a vacancy and Pt atoms are found to be simply additive when their distances are larger than first-neighbors, whereas when they can be stabilizing at low Pt content due to the release of strain by the... 

The aim of this study was to develop an appropriate kinetic model for propane dehydrogenation (PDH) over an industrial Pt-Sn/γ-Al 2O 3 catalyst in the presence of small amounts of oxygenated compounds. Experimental data were obtained from a previous study where catalytic PDH was carried out in a laboratory scale reactor at atmospheric pressure in the temperature range of 575-620 °C in the presence of small amounts of water or methanol. The kinetics of the main dehydrogenation reaction was described and the effects of water and methanol on coke deposition and catalyst sintering were considered in a catalyst deactivation model to explain the observed optimum level in the amount of added... 

Reduced graphene oxide (RGO) was used to improve the hydrogen sensing properties of Pd and Pt-decorated TiO2 nanoparticles by facile production routes. The TiO2 nanoparticles were synthesized by sol-gel method and coupled on GO sheets via a photoreduction process. The Pd or Pt nanoparticles were decorated on the TiO2/RGO hybrid structures by chemical reduction. X-ray photoelectron spectroscopy demonstrated that GO reduction is done by the TiO2 nanoparticles and Ti-C bonds are formed between the TiO2 and the RGO sheets as well. Gas sensing was studied with different concentrations of hydrogen ranging from 100 to 10,000 ppm at various temperatures. High sensitivity (92%) and fast response time... 

Ni II-(N,N′-bis(2,4-dihydroxyacetophenone)-2, 2-dimethylpropandiimine (Ni II{salnptn(4-OH) 2}) complex has been encapsulated within the supercage of zeolite-NaY by reacting Ni 2+-exchanged NaY with the flexible Schiff-base ligand that diffuses into the cavities. The encapsulated complex is characterized by EDX, scanning electron microscopy, powder X-ray diffraction, FT-IR, and cyclic voltammetry studies. Density functional calculation is being carried out on both the free nickel Schiff-base complex and that encapsulated in NaY zeolite to investigate changes in structural parameters, energies of the HOMO and LUMO, and absolute hardness and softness. Electrochemical properties of the NaY... 

Catalytic activity of carbon/Pt nanoparticles modified TiO 2 nanotubes electrode was studied by using dopamine contained solutions. The TiO 2 nanotubes electrode was prepared using anodizing method in aqueous solution. The electrochemical pulse method was then applied for electrodeposition of Pt nanoparticles onto the TiO 2 nanotubes. Further modification was achieved by decomposition of polyethylene glycol in a tube furnace to have a carbon/Pt nanoparticles modified TiO 2 nanotubes electrode. The final modified electrode could successfully detect the electro-oxidation of dopamine in a ImM contained solution using cyclic voltametry method. Also, a high sensitivity towards the oxidation of... 

A modified glassy carbon electrode, prepared by potentiostatic electrodeposition of platinum-ruthenium nanoparticles (Pt-RuNPs) onto a multi-walled carbon nanotube (MWCNT) layer, offers dramatic improvements in the stability and sensitivity of voltammetric responses toward methyldopa (m-dopa) compared to glassy carbon electrodes individually coated with MWCNT or Pt-RuNPs. The surface morphology and nature of the hybrid film (Pt-RuNPs/MWCNT) deposited on glassy carbon electrodes was characterized by scanning electron microscopy (SEM), cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) techniques. A remarkable enhancement in the microscopic area of the electrode together... 

An electro-catalysis non-enzymatic electrode is proposed based on alloyed Pt/Ni nanowire arrays (NWAs) for the detection of glucose. The Pt/Ni NWAs were prepared by pulse electrodeposition of Pt and Ni within a nano-pore polycarbonate (PC) membrane followed by a chemical etching of the membrane. The electrode structure is characterized by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The resulting Pt/Ni NWAs electrode shows high electrocatalytic activities towards the oxidation of glucose in alkaline solution. Consequently, a sensitive amperometric detection of glucose is achieved under 0.45 V vs. SCE with a low detection limit of 1.5 μM within a wide linear... 

In this study a novel Pt/Ni nanostructure consisting of nano-bushes and nanocubes was fabricated onto TiO 2 nanotubes. The scanning electron microscopy images showed that a large amount of well-dispersed nano-architectures had uniformly covered all over the surface which made an electrode with high surface area. It was obviously seen that the nanocube structures mainly consists of Ni had been grown on top of each other while the Pt colonies represented bush-like structures. As a non-enzymatic glucose biosensor, the Pt/Ni TiO 2 nanotubes modified electrode exhibited an excellent performance. The proposed biosensor had two linear ranges for detection of glucose from 0 to 0.12 mM (correlation... 

The present work describes sensing application of modified TiO 2 nanotubes having carbon-Pt nanoparticles for simultaneous detection of dopamine and uric acid. The TiO 2 nanotubes electrode was prepared using anodizing method, followed by electrodeposition of Pt nanoparticles onto the tubes. Carbon was deposited by decomposition of polyethylene glycol in a tube furnace to improve the conductivity. The C-Pt-TiO 2 nanotubes modified electrode was characterized by cyclic voltam-metry and differential pulse voltammetry methods. The modified electrode displayed high sensitivity towards the oxidation of dopamine and uric acid in a phosphate buffer solution (pH 7.00). The electro-oxidation currents... 

The adsorption and dissociation of H2O2 on small PdxM3-x (M=Pt, Cu; x = 1-3) clusters is investigated using the B3PW91 hybrid density functional method. Natural bond orbitals are analysed to obtain partial charges on atoms, dipole moments, bond orders, and hybrid orbitals of the PdxM3-x-H2O2 systems. The calculated adsorption energies are in the range of -0.32 to -2.12 eV. Generally, H2O2 adsorbs on top positions through one of its oxygen atoms and only in a few cases reacts with the cluster through both oxygen and hydrogen sides. In the latter case the cluster sites which are negatively charged interact with the hydrogen atoms. Interestingly, on the triplet Pd2Pt cluster, H2O2 dissociates... 

Ag@Pt nanoparticles synthesized with different Ag/Pt mass ratios utilizing ultrasonic treatment method. These materials were supported on Vulcan XC-72 and utilized as cathode in a proton exchange membrane fuel cell (PEMFC). The morphology of this material characterized through the x-ray diffraction (XRD), induced coupled plasma atomic emission spectroscopy (ICP-OES) as well as; high resolution transmission electron microscopy (HRTEM) techniques. To begin with, it was proven that, the prepared Ag@Pt/C catalyst possessed a core–shell nanostructure. The electrochemical properties of this material investigated through the Cyclic Voltammetry (CV), linear sweep voltammetry (LSV) and... 

An efficient electrocatalyst for Pt-free I−/I3 − reduction has been synthesized by high temperature treatment of graphene oxide-cobalt phthalocyanine mixtures. The graphitic material was characterized by various techniques and was found to consist of reduced graphene oxide carrying CoN3 entities, obtained by thermal decomposition of cobalt phthalocyanine. This material had an ionization potential equal to 4.9±0.1 eV and thus it was judged appropriate to act as reduction electrocatalyst for the I−/I3 − redox electrolyte. It was subsequently deposited as thin film on FTO electrodes, which were employed as counter electrodes for dye-sensitized solar cells. Its capacity to reduce I−/I3 − redox... 

A series of M-doped Pt[sbnd]MgO (M = Pd, Ir, Re, Ru, Rh and Cr) sheet-shaped nano-catalysts were synthesized by the controlled co-precipitation method. The effects of M-doping on both the physicochemical and the chemisorption characteristics of Pt[sbnd]MgO catalysts were examined. The performance of the catalysts for the aqueous phase reforming (APR) of glycerol was also investigated. The APR activity of Pt[sbnd]M[sbnd]MgO catalysts depended on the type of the M dopant used. The APR activity varied in the following order: Rh > Pd > Cr > Ir > undoped ≈ Ru > Re, with the Rh-promoted catalyst having an activity of about one order of magnitude higher than the Re-promoted catalyst at 250 °C. It... 

In the present work, several new thermodynamic linear isotherm regularities for the dense fluids have been derived for the first time. For this purpose, the thermodynamic perturbation theory (TPT) employing only the attractive effective pair potential (AEPP) as u(r) = - ϵeff (σeff / r)m was used, where σeff which is the effective hard core diameter, is temperature dependent and m > 0. Based on the derived regularities, the isotherm (Z - Z(0))v2 is a linear function of ρ2, ρ and 1/ρ, depends on the values of m = 12, 9 and 6, respectively where Z - Z(0) is the difference between the experimental compressibility factor of the real fluid (Z) and that of the reference fluid (Z(0)). Also, Z - Z(0)...