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    Low-frequency Model for Long-channel Monolayer Transistors

    , Ph.D. Dissertation Sharif University of Technology Omdeh Ghiasi, Hesam (Author) ; Safarian, Amin Ghasem (Supervisor) ; Pourfath, Mahdi (Co-Supervisor)
    Abstract
    Transistors’ miniaturization and advent of short-channel effects causes searching for another devices with least adverse characteristics in short channels. Among all the considered devices, monolayer transistors attracted the attention. Although most of the papers in literature focused on the physical phenomenon of the device, circuit design of these transistors have been overlooked. Most of the papers related to monolayer transistors did not explain the design methodology of their circuits and they confined their work just to the report of the circuits constructed with 2D-based transistors. In order to take advantage of 2D materials in electronic circuits, simple modelling for... 

    Investigation of Impurities and Structural Defects in Graphene

    , M.Sc. Thesis Sharif University of Technology Rostami, Melika (Author) ; Faez, Rahim (Supervisor)
    Abstract
    In this thesis the effects of impurities and different defects on electrical and magnetic properties of monolayer and bilayer graphene is investigated. Calculations are performed using density function theory. Alloying monolayer graphene with boron and nitrogen the energy gaps of 0.7 and 0.6 eV are obtained, respectively. Moreover, we show that BN is a good candidate for opening the band gap in graphene. Alloying monolayer graphene with BN the energy gap of 1.2 eV is obtained. Another way of opening band gap is to somehow break the symmetry between layers of the bilayer graphene. By alloying one layers of bilayer graphene with B, N or B-N, although the symmetry of layers is broken, each... 

    Kinetic Modeling of Coke Formation in PDH over Pt-Sn/Al2O3 in Presence of Oxygenated Additives

    , M.Sc. Thesis Sharif University of Technology Samavati, Abolfazl (Author) ; Khorasheh, Farhad (Supervisor)
    Abstract
    Propylene, as one of the most important raw materials of petrochemical industries, is produced through different methods. One of the major methods is propane dehydrogenation. This reaction is endothermic and many by-products will be produced in high temperature. Therefore catalytic dehydrogenation is preferred. Reduction in catalyst's activity and too many side reactions are the most important problems. Coke formation is the most effective reason of deactivation. Main source of coke is propylene. Experiments show that very small amount of water presence within reaction can reduce rate of coke formation. Water content growth does not always increase activity. If water be more than optimum... 

    Biosorption of Zinc Ions Using Biomasses Produced From Four Different Types of Microbes Under Batch and Continuous Conditions

    , M.Sc. Thesis Sharif University of Technology Hosseini, Soheil (Author) ; Roostaazad, Reza (Supervisor) ; Razavi, Jalil (Supervisor)
    Abstract
    Biosorption capacity of zinc (II) by biomasses produced from four species of microorganism including two kinds of bacteria (Pseudomonas putida and Streptomyces rimosus) and two kinds of fungi ( Aspergillus niger and Phanerochate chrysosporium) in batch case were investigated and compared. In all cases dried original bio mass and dried pretreated bio mass with NaOH were used. In all cases biosorption capacity of pretreated biomasses were much higher than non-treated biuomasses to the ratio of 3.8 – 1.4 times. Freundlich and Langmuir equilibrium isotherms were used to match with experimental results of this research. Except S.rimosus, all others were completely matched with Langmuir... 

    , M.Sc. Thesis Sharif University of Technology Kalantari, Hamed (Author) ; Rosta Azad, Reza (Supervisor) ; Yagmaei, Soheila (Supervisor) ; Sana, Solat (Co-Advisor)
    Abstract
    In this work, biosorption of Zirconium from aqueous solution by A.niger as a biosorbent was investigated. For this goal, both of live and dried biomasses were used. The effect of factors pH, temperature, contact time, initial concentration of metal and biomass dosage were investigated on biosorption. To preparing dried biomass,the live biomass was dried at 60-80 º C for 24 hr and then this dried cell was crushed by mortar and pestle and the drying biomass was ground through a set of sieve with 100 mesh. Also, effect of the pretreatment of biomass by NaOH 0.5 M on biosorption was studied. Optimization of factors was performed by Response Surface Methodology (RSM). The experiments were... 

    An Experimental-Theoretical Study on Batch (Static) Sublimation and Derivation of a Correlation for its Heat Transfer Coefficient

    , M.Sc. Thesis Sharif University of Technology Mottafegh, Amir Reza (Author) ; Otukesh, Mohammad (Supervisor)
    Abstract
    The major features of batch sublimation were investigated in an experimental-theoretical study. An experimental setup with real-time displays, sublimated dry ice blocks of different sizes, with circular or rectangular geometries. When temperature of hotplate was changed from -30 to 200 oC, heat transfer coefficient “hsub” decreased from 126 to 70 W/m2K, while thermal flux increased, linearly. Weight and area of the block had a positive/negative effects on “hsub”, respectively. In theoretical part, at first, two “linear-gradient” and “cubic” models were developed by a combined mass-momentum-energy balance. The latter used Von Karman temperature profile, and in cases of circular and... 

    Performance Modeling of Nano-Porous Monolayers in Water Desalination Using Molecular Dynamics Simulations Approach

    , Ph.D. Dissertation Sharif University of Technology Mehrdad, Mohammad (Author) ; Moosavi, Ali (Supervisor) ; Nejat, Hossein (Co-Supervisor)
    Abstract
    Water plays an essential role in the daily lives of humans, plants, and animals. Due to the lack of safe water on the planet, in recent years there have been many challenges in the field of water treatment, which has made water desalination technology always one of the most advanced technologies. The most advanced technology in this field is the use of nanotechnology in water and wastewater treatment, especially the use of Membrane processes such as reverse osmosis. Unlike conventional reverse osmosis membranes, nanoporous membranes can ensure rapid water transfer during the displacement process. The purpose of this thesis is to introduce new monolayers that have an incredible performance in... 

    Investigation of asphaltene adsorption in sandstone core sample during CO2 injection: Experimental and modified modeling

    , Article Fuel ; Vol. 133 , 2014 , Pages 63-72 ; ISSN: 00162361 Jafari Behbahani, T ; Ghotbi, C ; Taghikhani, V ; Shahrabadi, A ; Sharif University of Technology
    Abstract
    In this work, asphaltene adsorption in a sandstone core sample under dynamic conditions and during miscible CO2 injection was studied using live oil sample which is close to real conditions in petroleum reservoirs. In order to investigate of damage in sandstone core sample by the deposited material such as asphaltene, the morphology analysis of sandstone core sample using scanning electron microscopic method was studied. Also analyses of the adsorbed material in sandstone core sample by Soxhlet extraction using an azeotrope mixture and with SARA method were performed. The experimental results show that by increasing the flow rate of injected CO2, the amount of asphaltene in retained material... 

    A new model based on multilayer kinetic adsorption mechanism for asphaltenes adsorption in porous media during dynamic condition

    , Article Fluid Phase Equilibria ; Vol. 375, issue , 2014 , Pages 236-245 ; ISSN: 03783812 Jafari Behbahani, T ; Ghotbi, C ; Taghikhani, V ; Shahrabadi, A ; Sharif University of Technology
    Abstract
    In this work, a new model based on multilayer kinetic adsorption mechanism has been proposed to account asphaltene adsorption in porous media under dynamic condition and the model was verified using experimental data obtained in this work and also with those reported in the literature. In the proposed model two steps are considered for asphaltene adsorption. The first step is taken as adsorption of asphaltenes on the surface of the porous media and the second step is taken as adsorption of asphaltenes on the asphaltenes already adsorbed on the porous media. The Crank-Nicholson method, central difference in space and trapezoidal rule in time, giving second order convergence in time was... 

    Extreme light absorption in a necking-free monolayer of resonant-size nanoparticles for photoelectrochemical cells

    , Article Journal of Optics (United Kingdom) ; Vol. 16, issue. 7 , 2014 ; ISSN: 20408978 Dabirian, A ; Sharif University of Technology
    Abstract
    Semiconductor photoelectrodes for water oxidation that absorb visible light usually have poor electronic transport properties and small optical absorption coefficients near their absorption edge. Therefore, innovative designs that lead to significant optical absorption in relatively thin layers of these compounds are highly desirable. Here, using full-field electromagnetic optical simulations, we demonstrate that a monolayer of resonant-size BiVO4 spheres can provide enhancement up to a factor of two in solar light absorption relative to dense planar layers. In this monolayer, BiVO4 spheres do not need to be interconnected; therefore, such monolayers are flexible and their fabrication... 

    Rapid and simultaneous determination of tetracycline and cefixime antibiotics by mean of gold nanoparticles-screen printed gold electrode and chemometrics tools

    , Article Measurement: Journal of the International Measurement Confederation ; Vol. 47, Issue. 1 , 2014 , pp. 145-149 ; ISSN: 02632241 Asadollahi-Baboli, M ; Mani-Varnosfaderani, A ; Sharif University of Technology
    Abstract
    The screen-printed gold electrode (SPGE) modified with the formation of self-assembly monolayer (SAM) of cysteine (Cys) on gold-nanoparticles (Au nano) was utilized for rapid and simultaneous determination of tetracycline and cefixime antibiotics by square wave voltammetry (SWV). Electrochemical investigation and characterization of the modified electrode was achieved using cyclic voltammetry (CV) and scanning electron microscopy (SEM). A principal component artificial neural network (PCANN) with three layer back-propagation network was utilized for the analysis of the voltammogram data. It is possible to simultaneously determine the tetracycline and cefixime concentrations in the ranges of... 

    Ab initio study of electronic effects in the ZnO/TiO2 core/shell interface: Application in dye sensitized solar cells

    , Article RSC Advances ; Vol. 4, issue. 1 , April , 2014 , p. 301-307 Pazoki, M ; Nafari, N ; Taghavinia, N ; Sharif University of Technology
    Abstract
    Core/shell structure of ZnO nanowires coated with a monolayer of TiO 2 is investigated using Density Functional Theory (DFT). The electronic states of the semiconductor is calculated and compared before and after coating of the TiO2 monolayer on a ZnO [101 0] surface. The effect of TiO2 coating induce surface states changes and shifts the conduction and valence band edges to higher energies. Our results, in qualitative agreement with the experimental work of Matt Law et al. (J. Phys. Chem. B, 110, 22652), show an increase in open circuit voltage and a decrease in short circuit current in ZnO/TiO2 core shell dye sensitized solar cells. Regarding the semiconductor density of states (DOS), TiO2... 

    Multiscale molecular dynamics simulation of nanobio membrane in interaction with protein

    , Article ASME 2013 2nd Global Congress on NanoEngineering for Medicine and Biology, NEMB 2013 ; 2013 ; ISBN: 9780791845332 Maftouni, N ; Amininasab, M ; Ejtehadi, M ; Kowsari, F ; Sharif University of Technology
    2013
    Abstract
    One of the most important biological components is lipid nanobio membrane. The lipid membranes of alive cells and their mechanical properties play an important role in biophysical investigations. Some proteins affect the shape and properties of the nanobio membrane while interacting with it. In this study a multiscale approach is experienced: first a 100ns all atom (fine-grained) molecular dynamics simulation is done to investigate the binding of CTX A3, a protein from snake venom, to a phosphatidylcholine lipid bilayer, second, a 5 micro seconds coarse-grained molecular dynamics simulation is carried out to compute the pressure tensor, lateral pressure, surface tension, and first moment of... 

    Application of sol-gel based molecularly imprinted xerogel for on-line capillary microextraction of fentanyl from urine and plasma samples

    , Article Analytical Methods ; Volume 5, Issue 24 , 2013 , Pages 7096-7101 ; 17599660 (ISSN) Bagheri, H ; Piri-Moghadam, H ; Bayat, P ; Balalaie, S ; Sharif University of Technology
    2013
    Abstract
    A molecularly imprinted xerogel (MIX) for fentanyl was successfully prepared on the inner surface of a copper tube by sol-gel technology. Primarily, the tube was treated by self-assembly monolayers of 3-(mercaptopropyl) trimethoxysilane and then [3-(2,3-epoxypropoxy)-propyl]-trimethoxysilane was employed as a precursor for imprinting the template molecule in acidic conditions. During the sol-gel process influential parameters including volume and concentration of fentanyl were carefully investigated to obtain the most efficient and appropriate xerogel. In parallel, a non-imprinted xerogel (NIX) was synthesized in the absence of fentanyl. The extraction efficiencies achieved from MIX and NIX,... 

    Modeling of coke formation and catalyst deactivation in propane dehydrogenation over a commercial Pt-Sn/γ-Al2O3 catalyst

    , Article Petroleum Science and Technology ; Volume 31, Issue 23 , 2013 , Pages 2451-2462 ; 10916466 (ISSN) Niknaddaf, S ; Soltani, M ; Farjoo, A ; Khorasheh, F ; Sharif University of Technology
    2013
    Abstract
    Propane dehydrogenation was carried over a commercial Pt-Sn/γ-Al 2O3 catalyst at atmospheric pressure and reaction temperatures of 580, 600, and 620°C and WHSV of 11 h-1 in an experimental tubular quartz reactor. Propane conversions were measured for catalyst time on stream of up to nine days. The amounts of coke deposited on the catalyst were measured after one, three, six, and nine days on stream using a thermogravimetric differential thermal analyzer (TG-DTA) for each reaction temperature. The coke formation kinetics was successfully described by a coke formation model based on a monolayer-multilayer mechanism. In addition, catalyst deactivation was presented by a time-dependant... 

    Asphaltene deposition under dynamic conditions in porous media: Theoretical and experimental investigation

    , Article Energy and Fuels ; Volume 27, Issue 2 , 2013 , Pages 622-639 ; 08870624 (ISSN) Jafari Behbahani, T ; Ghotbi, C ; Taghikhani, V ; Shahrabadi, A ; Sharif University of Technology
    2013
    Abstract
    In this work, a new model based on the multilayer adsorption kinetic mechanism and four material balance equations for oil, asphaltene, gas, and water phase has been developed to account for asphaltene deposition in porous media under dynamic conditions and the model was verified using experimental data obtained in this work and also with those reported in the literature. The results showed that the developed model based on multilayer adsorption kinetic mechanism can correlate more accurately the oil flooding experimental data in comparison to the previous models based on the mechanical plugging mechanism, in particular in carbonate core samples. Also, a series of experiments was carried to... 

    Nanomechanical properties of lipid bilayer: Asymmetric modulation of lateral pressure and surface tension due to protein insertion in one leaflet of a bilayer

    , Article Journal of Chemical Physics ; Volume 138, Issue 6 , 2013 ; 00219606 (ISSN) Maftouni, N ; Amininasab, M ; Ejtehadi, M. R ; Kowsari, F ; Dastvan, R ; Sharif University of Technology
    2013
    Abstract
    The lipid membranes of living cells form an integral part of biological systems, and the mechanical properties of these membranes play an important role in biophysical investigations. One interesting problem to be evaluated is the effect of protein insertion in one leaflet of a bilayer on the physical properties of lipid membrane. In the present study, an all atom (fine-grained) molecular dynamics simulation is used to investigate the binding of cytotoxin A3 (CTX A3), a cytotoxin from snake venom, to a phosphatidylcholine lipid bilayer. Then, a 5 ms coarse-grained molecular dynamics simulation is carried out to compute the pressure tensor, lateral pressure, surface tension, and first moment... 

    Role of precursors and coating polymers in sol-gel chemistry toward enhanced selectivity and efficiency in solid phase microextraction

    , Article Analytica Chimica Acta ; Volume 742 , 2012 , Pages 45-53 ; 00032670 (ISSN) Bagheri, H ; Piri Moghadam, H ; Ahdi, T ; Sharif University of Technology
    Elsevier  2012
    Abstract
    To evaluate the selectivity and efficiency of solid phase microextraction (SPME) fiber coatings, synthesized by sol-gel technology, roles of precursors and coating polymers were extensively investigated. An on-line combination of capillary microextraction (CME) technique and high performance liquid chromatography (HPLC) was set up to perform the investigation. Ten different fiber coatings were synthesized in which five of them contained only the precursor and the rests were prepared using both the precursor and coating polymer. All the coatings were chemically bonded to the inner surface of copper tubes, intended to be used as the CME device and already functionalized by self-assembly... 

    Investigation on asphaltene deposition mechanisms during CO2 flooding processes in porous media: A novel experimental study and a modified model based on multilayer theory for asphaltene adsorption

    , Article Energy and Fuels ; Volume 26, Issue 8 , 2012 , Pages 5080-5091 ; 08870624 (ISSN) Jafari Behbahani, T ; Ghotbi, C ; Taghikhani, V ; Shahrabadi, A ; Sharif University of Technology
    2012
    Abstract
    In this paper, oil recovery and permeability reduction of a tight sandstone core sample in miscible CO2 flooding processes due to asphaltene deposition were studied using an Iranian bottom hole live oil sample in order to distinguish between the mechanical plugging and adsorption mechanisms of asphaltene involved in the interfacial interaction of the asphaltene/mineral rock system. A novel experimental method was designed and proposed to measure the amount of deposited asphaltene due to different mechanisms using the cyclohexane or toluene reverse flooding and spectrophotometer. In this work, the bottom hole live oil sample was injected first to a long core and then CO 2 injection was... 

    Hydration strongly affects the molecular and electronic structure of membrane phospholipids

    , Article Journal of Chemical Physics ; Volume 136, Issue 11 , 2012 ; 00219606 (ISSN) Mashaghi, A ; Partovi Azar, P ; Jadidi, T ; Nafari, N ; Maass, P ; Tabar, M. R. R ; Bonn, M ; Bakker, H. J ; Sharif University of Technology
    Abstract
    We investigate the structure and electronic properties of phosphatidylcholine (PC) under different degrees of hydration at the single-molecule and monolayer type level by linear scaling ab initio calculations. Upon hydration, the phospholipid undergoes drastic long-range conformational rearrangements which lead to a sickle-like ground-state shape. The structural unit of the tilted gel-phase PC appears to be a water-bridged PC dimer. We find that hydration dramatically alters the surface potential, dipole and quadrupole moments of the lipids and consequently guides the interactions of the lipids with other molecules and the communication between cells