Sharif Digital Repository

In this study, electrochemical oxygen reduction reaction (ORR) was studied on Cu, Pd, Rh, Pd-Cu and Rh-Cu alloys in alkaline solution. Pd-Cu and Rh-Cu alloys were prepared by electrochemical methods. On copper electrode it is found that direct oxygen reduction is accompanied by the electrochemical reductions of copper oxides. Also, mechanism and kinetics of reaction change as the amount of copper oxides increase on the surface. For electrodeposited alloys, it is indicated that the reactivity of Pd-Cu and Rh-Cu alloys toward oxygen reduction is higher than pure Pd and pure Rh. The maximum reactivity among Pd-Cu alloys is related to the sample with 24.5% copper content while the maximum... 

The purpose of this project is the prediction of the activation barriers and enthalpy for elementary steps in the process of Fischer-Tropsch over the surfaces of Fe, Cu and Fe/Cu alloys catalyst by using of UBI-QEP method aiming at finding prediction of the activity and selectivity on the basis of energy criteria.
UBI-QEP methods is based on conservation of bond index of adsorbed molecules and follow the quadratic exponential potential for energy, calculate the enthalpy and activation barriers of reaction pathways in a heterogeneous catalytic process and select the most desirable path to take.
The elementary steps such as dissociation of CO, hydrogenation of carbidic carbon, C-C... 

In this thesis, the improving effects of deposited metal oxides onto or next to each other and the advantages of every metal oxide were considered. In the next step, the substrate improvement was studied and the porous metal oxides with ideal supercapacitive properties with porosity increase of substrate were obtained.CoFeO2 supercapacitor was prepared by chronoamperometric ethod.CoFeO2waselectrodeposited at room temperature and presents wide potential window and good capacitive properties in comparison with other metal oxides.Layers of cobalt and manganese oxides were co-deposited or deposited on top of each other or next to each other by chronometric method onto stainless steel substrate.... 

This work investigates adsorption and possible dissociation of a number of small molecules on small clusters and carbonic surface. Theoretical study of carbon monoxide adsorption on SixGe4_x(x=0–4) nano-clusters has been carried out using MPW1B95 density functional. The geometry, adsorption energy, charge distribution, and vibrational frequency of CO adsorption on all possible structures were investigated. The maximum vibrational frequency changes occur in the bridge structures while the most stable structures occur when CO adsorbs on one silicon atom in a flat surface. Adsorption energies of CO on one Si atom are by far more negative than the corresponding value for on Ge atom. Theoretical... 

In this thesis, the improving effects of TiO2 nanotubes (TiO2NTs) fabricated by anodizing of titanium as suitable substrate for deposition active materiales in supercapacitors were considered. PANI/Pd/TiO2NTs electrodes with highly porous structures and good capacitive characteristics were prepared by electrodeposition of polyaniline on palladium nanoparticles loaded TiO2 nanotubes. The results illustrated that the specific capacitance of these electrodes was around 1060 Fg−1 in 1.0 M H2SO4 electrolyte as measured at a constant current of 2.0 Ag−1, whereas it was 210 Fg−1 for the PANI/TiO2NTs electrode. NiO-ZnO/TiO2NTs electrodes were synthesized by the electrodeposition of... 

The aim of this project is to investigate the mechanisms of absorption and reactions of H2, O2, HCO2H on the single crystal surfaces of transition metals alloys such as Ni-Cu and Ni-Fe and …as well as the ability to control the properties of the mentioned alloys with change in constitutions percentage. In order to achieve the objectives, Unity Bond Index-Quadratic Exponential Potential, UBI-QEP method have been employed. Using this method, the thermodynamic parameters (heat of adsorption and reaction enthalpy changes) and kinetic parameters (activation energy of the reaction) can be calculated, and using these results, intermediate, and as a result, the mechanism of heterogeneous catalytic... 

In Li batteries, lithium ions are exchanged between two electrodes, along with the accompaning electron transfer to maintain riability good ionic conductivities and electrolytes stability are achived through additives to the electrolyte. Such matrial should possess good anions acceptability. This work investigates the potential of aza-ethers in this regard. The softness criteris is basically employed. DFT calculation for selected molecules of different size, substituents and interacting atoms are used to correlate softness, electrophilicity, Fukui no, etc to the usefulness of the corresponding matrials  

A study of the electro-oxidation and surface reactions of C1 compounds on Ni and Cu electrodes, Ni(111) and Cu (111) has been performed by methods of cyclic voltammetry, BOC-MP and DFT. The diffusion coefficients and activation energies of the electro-oxidation of methanol and formaldehyde in alkaline solution on Ni electrode have been derived. Values around 2.27×10-6 cm2s-1, 1.98×10-5cm2s-1, 12.15 Kcal mol-1 and 11.65 Kcal mol-1 have been obtained respectively. In theoretical study , the elimination of hydrogen from CH3 and CH2 groups has been proposed as a mechanism in surface reactions of methanol and formaldehyde on Ni(111) ... 

In this work, Unity Bond Index-Quadratic Exponential Potential (UBI-QEP) method was applied to investigate the decomposition routs of -halo alcohols on Ni(111) and Cu(111) crystallographic planes and Ni2Cu1(111) and Ni1Cu2(111) alloys. UBI-QEP calculates energetics, H and E, along reactions routes using heats of atomic adsorption as empirical inputs and in this way avoids needs to be very specific about every system. The results of analysis of -halo-propanols on Ni and Cu surfaces are in good agreement with experimental findings; namely in the formation of carbon-monoxide, ethylene, water and hydrogen over Ni and propene and water over Cu. Predicted activity of -halo-propanols,... 

Electrocatalytic oxidation of L-ascorbic acid (L-AA) on silver electrode in alkaline solutions was studied employing cyclic voltammetry, chronoamperometry and impedance spectroscopy techniques. In comparison to Pt, the onset potential for L-AA electro-oxidation process on Ag, in a solution containg 0.02 M L-AA and 0.5 M NaOH, was 0.1 V more negative. Also, L-AA oxidation current increased more than 900% at -0.26 V/SCE. According to voltammety and impedance spectropy findings, although hydroxide anion presence was vital for L-AA oxidation to occur, at potentials more positive than -0.2 V/SCE, hydroxide ion tends to inhibit the oxidation process. Studies on the L-AA oxidation process on Ag in... 

We tried to collect electrode kinetics, transport separator and structural data about the existing RFB, mainly all V-based and try to simulate the behavior of these batteries under various load and different fluid injection conditions. The behavior of the potential-current, power-current and potential-time at different levels of concentration, flow, pH, .... were studied . The results between the two modes with the membrane and without the membrane in the batch battery were compared. Batch battery with membrane shows improved performance. Increasing the concentration of vanadium and reduceing the current at the flow battery decreases the gap between the charge and discharge state  

Impedance measurement is one of the most efficient electrochemical methods to investigate the mechanism and kinetics of electrode reactions. This method can detect the steps of successive or parallel electron and mass transfer chemical reactions based on measuring the response time constant. The method of showing results, commonly known as Nyquist diagram,which is based on drawing real and imaginary components of the impedance, with respect to each other in different measurement frequencies, is very useful for determining the mechanism of electrode reactions and the kinetic measurements. The main objective of this thesis is totheoretically determine the impedance response of six... 

Estimation of physical parameters for solutions and mixed liqids are used widely in industrial applications. However, we can do these measurements with conventional laboratory analysis, but we always want to find an easy and quick method that use on-line measurements. In this study electrical properties of different water liquids and mixture samples in frequency stepwise range of 100-100000 Hz are measured by using a short cylindrical capacitive sensor and a measuring module (LCR-703).Operation of the capacitance measurement module for such probes is based on the auto-balancing bridge method.The effects of frequency and volume fraction on the electrical parameters and permittivity of mixed... 

The electrical conductivity of the solution has been one of the important physical quantities in many application. In this respect many probes and devices such as conductive sensors have been devised. In this study electrical properties of different water samples at frequency step range of 100-100000 Hz are measured by using the long cylindrical capacitive sensor and a measuring module (LCR-703). Operation of the capacitance measurement module for such probes is based on the auto balancing bridge method. Comparison of the measured capacitances and measured resistances for different water samples shows a decrease by increasing the measurement frequency. In another study the dielectric... 

Reliability Centered maintenance (RCM) is a systematic approach for designing preventive maintenance program for plants. Quality Function Deployment (QFD), which is a well known tool of Total Quality Management, is also a systematic and disciplined approach for designing products and services. In QFD the objective is to satisfy the requirements of the customers of the product or service with limited resources. Now if we consider the preventive maintenance program that RCM specifies for a plant as a service and define the customer requirements for this service to be preserving the functions of the plant we can use QFD for maintenance via RCM. By doing this all the proven advantages of QFD... 

Public projects are those projects that are run by public financial resources such as tax or other national governmental incomes. Selection of these projects is relatively difficult due to their importance, long life-time, and high costs. In most models developed in previous studies to select public projects, financial matters and risks are the only factors which were considered. However, the public projects should naturally be selected in a way that citizens’ benefits are maximized (in both short- and long-term) and citizens’ living level increases. In other words, public projects should be selected to increase citizens’ satisfaction. In this thesis, a model for public projects is presented... 

Network design is one of the major strategic decisions of a supply chain which leads to the whole sustainability of the chain. Besides, due to an increase in carbon dioxide emissions and its harmful effects, recently there has been an growing interest in green supply chain network design. In this thesis, a mixed integer linear programming is developed to formulate a closed-loop supply chain with forward and reverse logistics. Moreover, social cost rate of carbon dioxide is used to consider environmental impact. Considering uncertainty in closed-loop supply chains is crucial. To do so, three robust optimization methods including Soyster, Ben-tal and Nemirovski and Bertsimas and Sim approaches... 

This thesis investigates various modulation recognition systems both in analogue and digital forms. We are looking for a recognition technique considering practical implementation issues. To recognize the modulation, the career frequency is supposed to be known and a bandpass signal is received. Besides, we investigate some digital Automatic Modulation Recognition (AMR) methods. The techniques based on the features of the signal have less computational complexity compared to Maximum Likelihood (ML) techniques; hence they are more desirable for practical implementation. In this project, analog modulations are implemented using C++ software. For the convenience of users, here, two graphical... 

According to a novel approach of National Petrochemical Company to deployment of quality concepts on petrochemical projects and effort to develop the excellence models & paragons in various fields like managing contractors of petrochemical project and plans, “Project Based Organizations Excellence Model” presented by Project Management Research and Development Center of National Petrochemical Company as a new pattern of performance improvement in this companies. Implementation of this model in organization also required many infrastructures as knowledge and wisdom, managerial concept, dynamic and process vision that appear gradually. The purpose of this thesis is the development and also... 

The train scheduling problem is one of the most important scheduling problems in the transportation systems. The goal of train scheduling problem is generating a feasible timetable which consists of train departure times and determining the best station to stop. Optimizing the railway capacity is one of the most important goals in train scheduling phase. The sequence of dispatching trains and stopping schedule are the main factors that can affect railway capacity on double track lines. In this thesis, a double-track train sequencing problem is studied in order to maximize the railway capacity, subject to a set of operational requirements. This research proposes a flexible flow shop...