Sharif Digital Repository

Non-isothermal differential thermal analysis (DTA), X-ray diffraction (XRD), and scanning electron microscopy (SEM) were used to study the nucleation and crystallization behavior of mica glass-ceramics with LiF as nucleating agent. The models enabled establishing the kinetic parameters for crystal growth of individual phases. The activation energies for crystal growth were found to be in the range of 161-301 KJ/mol, 416-424 KJ/mol, and 583-1011 KJ/mol for base glasses, samples with substitution of Li2O for K2O and samples with addition of LiF, respectively. Formation of transparent glass-ceramics from studied glass-samples has been investigated. Transparency is assumed to occur in the... 

A theoretical study of the kinetics and mechanism of the cyclization of citronellal in the gas phase was performed using density functional theory methods at the B3LYP level of theory with 6-311G, 6-311G*, 6-31G**, 6-311G**, 6-311 þ G and 6-311 þ þ G basis sets at 298.15 K, 433.15 K, and 473.15 K. Equilibrium molecular geometries and harmonic vibrational frequencies of the reactant, transition state and products were calculated. Rate constants and activation thermodynamic parameters were calculated and showed a fairly good agreement with experimental results. The effect of solvent polarity on the reaction was studied. These calculations indicated that the reaction proceeds through an... 

Thermal performance of magnetically driven Casson nanofluid over a nonlinear stretching sheet under the influence of entropy, activation energy and convective boundary conditions was analyzed numerically, employing the quasi-linearization method (QLM). The collective behavior of thermophoretic diffusion and Brownian motion along with special effects of viscous dissipation, thermal radiation, heat generation and joule heating are considered in the energy equation for the flow problem. The addition of nanoparticles helps to stabilize the flowing of a nanofluid and maintain the symmetry of the flowing structure. The governing highly nonlinear coupled differential equations of velocity,... 

Formation of machinable glass-ceramic in the system MgO-SiO 2-Al2O3-K2O-B2O 3-F with and without addition of MgF2 has been investigated. Crystallization of glass sample was done by controlled thermal heat treatment at nucleation and crystallization temperatures. The results showed that MgF2 in high concentration had a synergistic effect and enhanced the formation of interlockedmica crystals. Non-isothermal DTA experiments showed that the crystallization activation energies of base glasses were changed in the range of 235-405 kJ/mol, while the crystallization activation energies of samples with addition of MgF2 were changed in the range of 548-752 kJ/mol  

In this paper, an Al-Mg-Si-Cu aluminum alloy was exposed to various heat treatment processes and the effect of precipitation hardening on hardness was investigated as a function of time and temperature. It was concluded that the variation in time and temperature can improve the hardness of the alloy. The work revealed that time and temperature play an important role in the precipitation hardening process of the alloy. To achieve the maximum hardness, an optimum aging cycle should be used which is heating at 180-190 °C for 15-18 h. Kinetics studies show an apparent activation energy of 58 kJ/mol. A relationship was derived which can be used to estimate the hardness at a given time and... 

Kinetics of oxidation of MgO-C refractories was investigated by shrinking core modeling of the gas-solid reactions taking place during heating the porous materials to the high temperatures. Samples containing 4.5-17 wt pct graphite were isothermally oxidized at 1000-1350°C. Weight loss data was compared with predictions of the model. A mixed 2-stage mechanism comprised of pore diffusion plus boundary layer gas transfer was shown to generally control the oxidation rate. Pore diffusion was however more effective, especially at graphite contents lower than 10 wt pct under forced convection blowing of the air. Model calculations showed that effective gas diffusion coefficients were in the range... 

In this investigation, we have studied the kinetics and mechanism of desorption of CO from the Cu(110) surface using a new Monte Carlo simulation and putting emphasis on high order lateral interaction. According to our simulated TPD spectra, for β 0 = 10 K/s the maximum desorption rate occurs at Tm = 218.6 K. Furthermore, analysis of simulated TPD spectra of CO desorption shows that it is strongly lateral-interactive and results an activation energy of CO desorption from Cu(110) that is Ed = 66.6 Kj/mol. These simulated results are compared with other reported results and show excellent agreement. After that we have investigated the kinetics and mechanism of desorption of CO2 from the... 

The decomposition of methyl iodide on Cu(110) surface gives rise to the production of methane, ethane, and ethene over a wide range of its surface coverage. In this work a reaction mechanism based on the adsorption and subsequent surface dissociation(s) of methyl iodide followed by the recombination and desorption of the surface entities are proposed on the basis of the energetic criteria provided by the unity bond index-quadratic exponential potential method. To further amplify the arguments using the calculated activation energies of the surface reactions, desorptions, etc., the Arrhenius factor is obtained by simulation of the temperature-programmed desorption patterns fitted to the... 

Different concentrations of CaF2 were incorporated in mica glass-ceramics to evaluate their effects on the crystallization and microstructure. The kinetics of phase transformations, and the microstructures of the final crystalline phase were found to be dependent on the concentration of nucleation agents. The results showed that CaF2 in high concentration had a synergistic effect and enhanced the formation of interlocked mica crystals. Non-isothermal DTA experiments showed that the crystallization activation energies of base glasses were changed in the range of 235-405 kJ/mol, while the crystallization activation energies of samples with addition of CaF2 were changed in the range of 419-747... 

The hot ductility of Fe-29Ni-17Co alloy was studied in both cast and wrought conditions by hot tensile tests over temperature range of 900-1250°C and at strain rates of 0.001-1s-1. Over the studied temperature range, the wrought alloy represented higher elongation and reduction in area as compared to the cast alloy. Dynamic recrystallization was found responsible for the higher hot ductility of the wrought alloy and the improvement of hot ductility of the cast alloy at high temperatures. At temperature range of 1000-1150°C the wrought alloy exhibited a hot ductility drop while a similar trough was not observed in case of the cast alloy. It was also found that at temperatures of 1150-1250°C... 

Two-internal variable thermodynamics model is presented to investigate the evolution of microstructure and flow stress during severe plastic deformation. Previous studies have shown that due to heterogeneous distribution of dislocations during severe plastic deformation, the use of multivariable models is needed. In this regard, a two-internal variable model is presented. In the present paper, the dislocation densities in the subgrain boundaries and interiors are considered as internal variables. The model uses general laws of thermodynamics and describes the evolution of the dislocation densities on the basis of parameters such as the self-diffusion activation energy and the stacking fault... 

In this work, the flow stress behavior of a metal matrix composite AA2017-10% SiCp was studied by means of the uni-axial compression test. The composite was first produced by stir casting technique and then, hot extrusion with the ratio of 18:1 was carried out to achieve a microstructure with a homogeneous distribution of SiC particles. In the next stage, the isothermal compression tests were conducted on the cylindrical specimens up to the true strain of 0.6. The experiments were performed at temperatures between room temperature to 400°C and strain rates of 0.003, 0.03 and 0.3s-1. Negative strain rate sensitivity was observed in the temperatures less than 250°C indicating the occurrence of... 

In micron-scale, powder consolidation process is driven by diffusion phenomenon, while in nano-scale the higher surface energy of particles leads to some anomalous behaviors within the process. In order to investigate the nano-sintering occurrence, an atomistic approach is employed via molecular dynamics simulations. Within this approach, the effect of particle size and temperature is examined. The study of particle structure emphasizes on a transition on the governing mechanism of process depending on the material energy levels. The results show that in a specific particle size at low temperatures, the main sintering mechanism is the plastic deformation, while at elevated temperatures it... 

In this work, the phenomenon of dynamic strain aging in a high carbon steel is studied and different initial microstructures including fine and coarse pearlite structures are considered. Tensile tests at different temperatures and strain rates are performed to evaluate the occurrence of dynamic strain aging and mechanical properties as well as to calculate apparent activation energies for onset and termination of dynamic strain aging. The results show that dynamic strain aging occurs for both microstructures while the initial microstructures alters the activation energies for appearance and termination of this phenomenon. The microstructural studies illustrate that a combination of cementite... 

The effect of tungsten and nitrogen on the as cast and the creep aged microstructures of heat resistant HP-Nb steel was studied. The steel was directionally solidified under two cooling rates of 31.2 and 7.6 K sec-1. Creep rupture tests were performed at temperatures of 1150-1255 K on the specimens prepared from the cast ingots in transverse and longitudinal directions. It is shown that the addition of nitrogen significantly increases the eutectic temperature and thus refines the dendrites and alters the morphology of M7C3 eutectic carbide. Also, it is found that due to short time aging, nitrogen addition decreases the M7C3 carbide fragmentation, increases the secondary M23C6 precipitation... 

Abstract: The loading of co-catalyst is an efficient way to increase the activity of synthesized carbon-based photocatalysts in the energy and environmental applications. Herein, Co and Ni decorated on g-C3N4 was synthesized as a visible light active photocatalyst and characterized with XRD, FT-IR, BET, DRS, TGA, FE-SEM, EDX, and EIS techniques. From the characterization results, it was demonstrated that cobalt and nickel which were present in the structure of the nanocatalyst, were in the metallic form. The decoration of Ni and Co reduced bandgap energy of g-C3N4 and made the synthesized nanocomposite active under visible light. The operating condition of O2 photocatalytic generation was... 

In this study the thermal calcination of two materials, high purity zinc carbonate hydroxide and the Calsimin zinc carbonate concentrate have been investigated. Isothermal studies have been performed on samples at different temperatures and times. Non-isothermal analysis has been carried out by TGA and DSC. It has been found that the calcination behaviour of both materials corresponds to the shrinking core model. The activation energy for the calcination of zinc carbonate hydroxide is found to be 88.7 kJ/mol, and that for the Calsimin sample is 97.3 kJ/mol. © 2006 Elsevier B.V. All rights reserved  

Over 200 million motorcycles in use worldwide account for a substantial portion of global mobile source total hydrocarbons (THC) and carbon monoxide (CO) emissions. In Tehran, capital of Iran, ultrarich inefficient combustion in gasoline-fueled motorcycles results in significantly high CO and THC emissions. Motorcycle catalysts can reduce CO and C3H6(as a representative hydrocarbon) emission factors by 60-80%. In the present work, CO and propylene oxidation over a commercial Pt-Pd-based wiremesh catalyst is studied in a flow reactor setup under simulated conditions relevant to 125 cc four-stroke gasoline carburetor motorcycles. Steady-state individual and co-oxidation tests for CO and... 

The present study evaluates the reductive leaching of indium from indium-bearing zinc ferrite using oxalic acid as a reducer in sulfuric acid solution. The effect of main factors affecting the process rate, including the oxalic-acid-to-sulfuric-acid ratio, stirring rate, grain size, temperature, and the initial concentration of synergic acid, was precisely evaluated. The results confirmed the acceptable efficiency of dissolving indium in the presence of oxalic acid. The shrinking-core model with a chemical-reaction-controlled step can correctly describe the kinetics of indium dissolution. On the basis of an apparent activation energy of 44.55 kJ/mol and a reaction order with respect to the... 

The leaching kinetics of stibnite in basic solution has been investigated. Spherical pellets of antimony sulphide were dissolved in 1 molar sodium hydroxide solutions at different temperatures. It was found that the shrinking core with ash layer model could satisfactorily explain the dissolution process. Using this model, it was found that initially the rate controlling step was a chemical reaction with activation energy of 10.2 kJ/mol. As the ash layer built up, diffusion through the ash layer became the rate controlling step. The activation energy for this step was found to be 33.4 kJ/mol. It was also observed that smaller particle size, larger solid to liquid ratio, and higher NaOH...