Sharif Digital Repository

Considering the widespread applications of α-aminonitriles, their synthesis is of great importance. The Strecker reaction represents a direct and appealing approach for the preparation of α-aminonitriles. With the aim of developing a mild and convenient approach towards the construction of α-aminonitriles, numerous methods have been reported for this important process over the past few decades. These have been mostly related to the optimization of reaction conditions and the use of more challenging substrates including ketimines and ketiminium salts and design of novel and effective catalytic systems. Due to the various advantages of supported heterogeneous catalysts and in our aim to... 

In this study, using the B3LYP/6-3111++g(d,p) computational level, we have explored the possibility of formation of some organic and bioorganic cation-cation clusters (CCC) in the absence of any anionic stabilizing species. Furthermore, we have shown the existence of a barrier energy for exothermic dissociation of these clusters. Herein, we have selected some biomolecules such as the chloroquine (CQ) antimalarial drug . The selected molecules possess the basic sites and can function as both hydrogen bond donors and acceptors. Also, a facile and direct synthetic route toward the rhodanine derivatives and thiazolidine-2,4-diones via a three-component coupling of carbon disulfide, primary... 

In this study, a catalyst-free Mannich reaction is applied for synthesis of 1,3-oxazines as an important class of biologically active compounds. In order to consider environmental application a mixture of water and ethanol is selected as a solvent for the reaction of 2,7-dihydroxynaphthalene with formaldehyde and an amine. Primary consideration of substitution effect on the reaction revealed that aniline and its derivatives with electron-donating substituent and halogens, cause higher yield. Aliphatic amines are not good substrate for this reaction with the exception of benzyl amine  

In this project, two Ferrofluidic micropumps that do not need any mechanical moving parts are presented. These micropumps are including simple microchannels containing magnetic fluid plugs that are used as flow actuator and the on/off valve. Using external magnetic field actuation in this type of micropumps, the magnetic fluid would have continuous motion in a channel with micrometer dimensions that would provide the main fluid to be pumped. Although the plug of magnetic fluid has surface contact with operative fluid, but considering its specific features, it would not compine with the pumping fluid. These micropumps may be used to pump the fluids or gases. The outcomes of the investigation... 

Dissipative particle dynamics (DPD) is an emerging mesoscopic computational method in which the interparticle forces arise because of coarse-graining at the molecular level. In the asymptotic limit of large length scales, the governing equations of continuum are reproduced, as demonstrated in this work. This method of simulation has the capability of simulating larger order of time and space in compare with dynamic molecular method. One of the important applications of DPD is simulating the dilute polymer solution. In this project, we developed a general code to simulate dilute polymer behavior which consists of polymeric forces and different types of usual DPD boundary conditions. This code... 

Part 1
1,3-dipolar cycloaddition reactions offer convenient routes for the construction of a variety of five-membered heterocycles. This thesis represents a simple synthetic method via 1,3-dipolar cycloaddition reaction to prepare a novel class of spiro pyrrolidines and spiro pyrrolizidines which exhibit many biological activities. Non-stabilized azomethine ylides which generated in situ by the decarboxylative condensation of ninhydrin with proline and sarcosine were used as a 1,3-dipoles. On the other hand, chalcone and its derivatives with an impressive array of pharmacological activities were the dipolarophiles in these reactions. The reactions were carried out through reflax... 

In this paper, a one-dimensional and two-dimensional numerical approach is used to study the effect of various parameters such as micro combustor height, mass flow rate and external convection heat transfer coefficient on the temperature and species mass fraction profiles. A premixed mixture of H2-Air with a multi-step chemistry (9 species and 19 reactions) is used. The transient gas phase energy and species conservation equations result in an Advection-Diffusion-Reaction system (A-D-R) that leads to two stiff systems of PDEs, which can not be solved by conventional Computational Fluid Dynamics (CFD) methods. In the present work, Strang splitting method, which is suitable for nonlinear stiff... 

There are numerous ways available to achieve low temperatures that cryocoolers might be among the most important of them. In the meantime, the pulse tube refrigerator has a special place due to its simple geometry and not be using any moving parts. This simple property make the pulse tube refrigerator one of the most popular methods to achieve low temperatures. Nowadays, a pulse tube refrigerator is used for cooling in the range of 4 to 123 Kelvin in two form of one-stage and two-stage and up to an approximate power of 1 KW. Today, due to the temperature and the amount of power required for cooling, as well as the time it takes to reach that temperature, this chiller is used in medical,... 

Recent developments in MEMS related areas have increased the demand for practical and novel pumping methods. Utilizing Electroosmotic force for flow generation in microchannels has become really popular recently, because of its reliable operation and control. One of potential applications of MEMS devices is biological and medical analysis which most samples are considered to be non-Newtonian; consequently, thermal transport characteristics of non-Newtonian electroosmotic flow of power-law fluids is investigated in this paper. In this study, thermal and hydrodynamic behavior of non-Newtonian electroosmotic flow of power-law model in a slit microchannel is analyzed. It is assumed that the flow... 

Numerical investigation of flow field and determination of velocity components in swirl flow are novel and important subjects in combustion chamber of swirl flow. The exact understanding of vortex phenomena and flow structures in vortex engine results in better design and control in terms of stability, geometry, cooling, and combustion efficiency. Although, numerical approaches are computationally complex, they are worthwhile and efficient. The aim of this work is to study the velocity field in a bidirectional swirl flow within the combustion chamber using numerical approaches. The investigation of flow field has been performed in the cold chamber. Four different models (RSM and LES) have... 

In recent two decades, with developments in micro and nano scale fabricating techniques, use of microfluidic systems is increasing in different fields. How to drive fluid is a hard question because of high pressure drop in micro scale. Different methods has been suggested to solve this problem, among which, electroosmotic pump is preferred because of its advantages. One of the main applications of microsystems is in biomechanical devices like microreactors which are usually working with non-Newtonian fluids. The cross section of these devices are most often close to rectangular shape.Therefor, in this study,Hydrodynamic charactristics and mass transport of non-Newtonian fluids under... 

In the study of heat transfer in micro-channels, free and force convections are two limit cases and these two methods of heat transfer are combined together generally, so to achieve the most accurate informations about the flow field they should be considered in combination. In the first part of the thesis the fully developed slip flow mixed convection in vertical micro-ducts of arbitrary shapes is investigated.Uniform axial heat flux and uniform peripheral wall temperature (H1) is considered. The method considered is analytical-numerical in which the governing equations and three of the boundary conditions are exactly satisfied but the remaining slip boundary condition on the duct wall... 

Lab-on-a-chip devices have gained a lot of attention in chemical and biomedical analyses during the past two decades. These devices employ microfluidics basics and fundamentals to combine multifold laboratory processes in one single portable chip. The electric field has been often used in most microfluidics applications for the ease of sample control as well as become easily integrated to other chip components. Instabilities in microflows would occur when two fluids of different electric properties are exposed to an adequately strong electric field. Studying these electrokinetic instabilities is not only important for the fundamental studies but also for practical applications in micromixers... 

Cancer is one of the most causes of mortality in the world. Leukemia is a type of cancer initiated by the rapid proliferation of blood cells including WBCs, RBCs, and Platelets, that classified into four general types of AML, ALL, CML, and CLL. The main treatment of leukemia is chemotherapy. Because of many problems that patients have with this treatment and not so good results of chemotherapy, we design a microfluidic chip that can perform personalized medicine treatment for leukemia patients.This microchip consists of two main parts, Concentration Gradient Generator (CGG), and cell culture. CGG system is a tree CGG with two inlets and four outlets, which makes a linear concentration of... 

One of the most important equipment in a power station is desuperheater which its operation has effect on power station performance and efficiency.It is necessary to identify and evaluate the most important factors that have effect on its performance. Using desuperheater cause that the temperature of exhausting superheat steam of boiler decreases to the desired quantity. If the temperature of superheat steam is very high, it will cause burning of superheater pipes that is very dangerous.Steam is used for two purpose of power generating and operational process. Unfortunately these applications have different requirement. In power generating for maximizing efficiency, turbine needs high... 

With the aim of making a pilot in two-steps, this thesis at 4 month accomplished. In first step, municipal sewage after passing of a septic tank loaded with daily 2 or 4m3/m2 rate to a vermi-filter while removal rate of COD was 83 and 64 percent respectively. In addition, the turbidity removal rate was 92 and 83 percent respectively. The results showed that vermi-filter is a suitable and cheap way for on-site wastewater treatment that is environmentally agreeable and odorless. Furthermore, the treated sewage is suitable for irrigate and flush tank usage. In the second step, for ground water denitrification, a synthetic wastewater with high nitrate, which nitrate is initially 13.5ppm NO3-N... 

High-quality online services demand reliable and fast packet delivery at the network layer. However, clear evidence documents the existence of compromised routers in the ISP and enterprise networks, threatening network availability and reliability. A compromised router can stealthily drop, modify, inject, or delay packets in the forwarding path to launch Denial-of-Service, surveillance, man-in-the-middle attacks, etc. So researches tried to create intrusion detection methods to identify adversarial routers and switches. To this end, data-plane fault localization (FL) aims to identify faulty links and is an effective means of achieving high network availability. FL protocols use... 

Considering the widespread applications of amides, synthesis of these compounds is of great importance. The one pot oxidative addition of amines to aldehydes is one of the most simple and appealing approaches to synthesis amides. With the aim of developing a mild and convenient approach towards preparation of amides, numerous methods have been reported for this important process over the past few decades. These improvements have been mostly related to the optimization of reaction conditions and the use of more challenging substrates including diverse derivatives of aldehydes, and also design a novel and effective catalytic systems. Due to the various advantages of supported heterogeneous... 

Confining nematic liquid crystal between two curved boundary conditions while the nematic molecules have a degenerate planar anchoring leads to complex and beautiful textures of molecular disparagement(defect) in the bulk and on the surfaces. Such the liquid crystal shells are made with double-emulsion techniques in microfluidic devices have provided applications for micro-scale colloidal linkers.In this work, we have numerically minimized the elastic energy in one-constant approximation in present of Fournier’s degenerate surface potential with finite element method. The nematic shell is confined between two spherical surfaces that we have studied the final energies and their related...