Computational Investigation of Acidity of Alkyl Phosphonic Acids and Hydrogen Phosphonic Acids in Gas and Solution Phase

, M.Sc. Thesis Sharif University of Technology Bahrami Dizicheh, Zahra (Author) ; Fattahi, Ali Reza (Supervisor)

Abstract

Hydrogen bond is a type of molecular bond which occurs between hydrogen and a highly electronegative atom (usually F, N and O) and results in special properties.Alkyl phosphonic acids and their derivatives have several applications as pesticides, antibiotics and anti-viruses. Furthermore, some chemicals in human nervous system hydrolyze to alkyl phosphonates and finally to methyl phosphonic acid. Linear alkyl phosphonic acids and their saults have both organic nonpolar hydrophobic groups and inorganic hydrophilic groups and used as surfactants.Different substituents can affect the acidity of alkyl phosphonic acids. Investigation have shown that hydroxyl functional group can increase the...

Theoretical Investigation of Hydrogen Bonding Effects on Acidity Enhancement of Alkyl sulfonic Acids and Hydroxy Alkyl Sulfonic Acids in Gas and Solution Phase

, M.Sc. Thesis Sharif University of Technology Najdian, Atena (Author) ; Fattahi, Ali Reza (Supervisor) ; Hormozi-Nezhad, Mohammad Reza (Supervisor)

Abstract

Hydrogen bonding is an important weak interaction encountered in gas, liquid, as well as solid phases. The hydrogen bond plays a very vital role in many life processes and is one of the most frequently used terms in chemistry and biology.
Polyols or polyhydric alcohols are, strictly speaking, simply organic chemicals containing more than two hydroxyl groups. Each hydroxyl is attached to separate carbon atoms of an aliphatic skeleton.They may also contain ester, ether, amide, acrylic, metal, metalloid and other functionalities; along with hydroxyl groups. Polyols are obtained from many plant and animal sources and are synthesized by a variety of methods. Among important properties of...

Inhibitor Designing Based on Amino Acids and Nucleobases for Bruton’s Tyrosine Kinase (BTK) by Computational Methods

, M.Sc. Thesis Sharif University of Technology Behzadi, Ali Asghar (Author) ; Fattahi, Alireza (Supervisor)

Abstract

The enzyme Bruton's tyrosine kinase (BTK) is one of the essential proteins that plays a vital role in the proliferation of B lymphocyte cells. Therefore, it is considered a primary target for restricting the growth of corresponding cancer cells. The side effects of BTK inhibitors, as commonly available drugs, have always been a considerable concern, and efforts to find a more effective drug with fewer side effects have never been rare. Among them, drugs with selectively chosen structures from nature are promising to improve these side effects and achieve greater acceptance through the body's natural system. To address this, innovative drug design methods were employed using various tools,...

Feedback control of the neuro-musculoskeletal system in a forward dynamics simulation of stair locomotion [electronic resource]

, Article Proc. of IMechE Part H: Journal of Engineering in Medicine ; 2009, Vol. 223, No. 6, pp. 663-675 Journal of NeuroEngineering and Rehabilitation ; Volume 11, Issue 1, 30 April 2014, Article number 78 Selk Ghafari, A. (Ali) ; Meghdari, Ali ; Vossough, Gholam Reza ; Sharif University of Technology

Abstract

The aim of this study is to employ feedback control loops to provide a stable forward dynamics simulation of human movement under repeated position constraint conditions in the environment, particularly during stair climbing. A ten-degrees-of-freedom skeletal model containing 18 Hill-type musculotendon actuators per leg was employed to simulate the model in the sagittal plane. The postural tracking and obstacle avoidance were provided by the proportional—integral—derivative controller according to the modulation of the time rate change of the joint kinematics. The stability of the model was maintained by controlling the velocity of the body's centre of mass according to the desired centre of...

The First Category of Organic Cation-Cation Cluster, A DFT Study and Synthesis of Thiazolidinedione, Rhodanine and S-Transalkylation of Dithiocarbamates

, M.Sc. Thesis Sharif University of Technology Shokri, Alireza (Author) ; Saidi, Mohammad Reza (Supervisor) ; Fattahi, Alireza (Supervisor)

Abstract

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...

Simulation of Droplet Sorting in Microfluidic Systems

, M.Sc. Thesis Sharif University of Technology Fattahi, Hamid Reza (Author) ; Mousavi, Ali (Supervisor) ; Asghari, Mohsen (Supervisor)

Abstract

A new microfluidic device is introduced for sorting the particles based on the hydrodynamic resistance induced in a microchannel which is not needed for additional detection or sorting modules. Hydrodynamic resistance affects physical properties, such as size and deformability of the particle. This device could apply application in cell sorting for remedies, diagnostics, and industrial applications. The device design is performed using an equivalent resistance model, and also numerical simulations are performed. For validation of the results, they are compared with experimental results. Moreover, we will discuss threshold particle size and will introduce a way to approximate it to ...

Developing an Applied Model for Energy Management in Dairy Production Industry

, M.Sc. Thesis Sharif University of Technology Bahmanpour khalesi, Ahmad Reza (Author) ; Mokhtar, Ali Reza (Supervisor) ; Miremadi, Ali Reza (Supervisor)

Abstract

Reviewing trends of energy consumption in the world reveals that sooner or later energy resources will be depleted. This concerning rate of consumption has brought about more greenhouse gases (GHG) emission influencing deleteriously on environment and climate. Human has continued energy consumption to maintain and improve the quality of his life through industrial production. Industry as a significant energy user owns considerable contribution to this consumption. Several attempts have been carried out to develop energy management systems in order to improve the energy efficiency of industrial sectors. Whilst they are comprehensive and could be applied to any sector, there is lack of...

Multi-scale Analysis of Dislocation Emission for Nano-crystalline Structures

, M.Sc. Thesis Sharif University of Technology Fattahi Faradonbeh, Mehran (Author) ; Khoei, Amir Reza (Supervisor) ; Jahanshahi, Mohsen (Supervisor)

Abstract

In this study, a new multi-scale hierarchical technique has been employed to investigate the role of edge dislocation on nano-plates with hex atomic structure in large deformation. Two multiscale hierarchical atomistic/molecular dynamics (MD)–finite element (FE) coupling methods are proposed to illustrate the influence of temperature on mechanical properties of Magnesium in large deformation. The atomic nonlinear elastic parameters are obtained via computing second-order derivative of Representative atom’s energy and RVE’s strain energy density with respect to deformation criterions (deformation gradient and Green strain tensor) to bridge between atomistic and continuum level, the...

An Experimental Study of the Effects of Sweep Wing on the Boundary Layer of 2D Wing

, M.Sc. Thesis Sharif University of Technology Tabrizian, Arshia (Author) ; Soltani, Mohammad Reza (Supervisor) ; Davari, Ali Reza (Co-Advisor)

Abstract

The behavior of boundary layer under the effect of the sweep angle is considered. The measurements were performed by a pitot tube rake. Three models with various sweep angels at angles of attack -2, 0 and 2 degree were tested. Both tip and root of all wings were closed by flat plates in order to prevent the flow to roll-up. However the flow field on the wing was still three-dimensional because of the sweep angle. The velocity on the wing has two components; longitudinal and lateral. The cross flow emerges due to the non-equilibrium of pressure and centrifugal forces. The velocity profiles showed that the magnitude of cross flow was stronger near the leading edge of the wing. The cross flow...

Gaining Competitive Advantage through Marketing Strategies in Container Terminal: A Case Study on Shahid Rajaee Port in Iran

, M.Sc. Thesis Sharif University of Technology Cheraghi, Hossein (Author) ; Miremadi, Ali Reza (Supervisor)

Abstract

The competitiveness of a port convinced shipping lines and shippers with a significant basis in selecting a port. Port authorities and port operators can make use of the competitive advantage as a parameter for counter measures by grasping the advantages and disadvantages of the ports and be a prime factor of opportunities and threats of the ports. Ports have a significant role in today’s networked business environment. They are being regarded as hubs that are part of various logistic systems. The very essence of a seaport is to link maritime networks and land network. These networks for the port are means of analyzing its competitiveness. A port overall competitiveness is determined by it’s...

Energy Management in Energy Harvesting Wireless Sensor Nodes

, M.Sc. Thesis Sharif University of Technology Rohbani, Nezam (Author) ; Ejlali, Ali Reza (Supervisor)

Abstract

Wireless Sensor Networks have become widespread because of their flexibility, applicability and ability to precept data with high accuracy. However, the most limiting factor in their usage is the amount of available energy in nodes since energy depletion in a node means that it is dead, therefore many efforts have been done for optimum energy management in Wireless Sensor Networks. In many cases, the key solution to prolong the network lifetime is load balancing. In this way, all the nodes will die (approximately) together and the lifetime of network will be maximized. Load balancing can be implemented in all layers from physical layer to application. It should be noted that it is not always...

Experimental Investigation of Mechanical Behavior of Structural Concrete with Combination of Waste Glass and Silica Fume

, M.Sc. Thesis Sharif University of Technology Faghihi, Kamyar (Author) ; Khaloo, Ali Reza (Supervisor)

Abstract

Concrete is the second most structural material in the world. So attention and promotion of the concrete mix design with respect to variable issues and requirements, is very important. On the other hand, these days environment and its pollution has become very popular discussion. Waste-glass which is produced by human products is one of the environmental pollutants. In this thesis it replaces some aggregate in concrete and it can reduce the level of this material in the world. Also we study effects of silica-fume as cement replacement and properties enhancer in our concrete mix design and see how it can ...

Strengthening RC Slabs under Various Loads and Boundary Conditions Using FRP Composites

, M.Sc. Thesis Sharif University of Technology Saber, Mostafa (Author) ; Khaloo, Ali Reza (Supervisor)

Abstract

In recent decades the use of FRP materials for strengthening structures has been developed extensively, thanks to their high strength, sufficient stiffness, high durablity, and ease of use. A great deal of research has been conducted on strengthening reinforced concrete beams and columns with FRP composites. By contrast, not many researches are performed on slabs, especially two-way slabs. In these few researches, the loading and boundary conditions are limited to simplest ones. Therefore, in this thesis, the focus of attention is on strengthening reinforced concrete slabs under various loads and boundary conditions using FRP composites.
In this thesis, first, FRP composites and their...

Optimal Batch Production for a Single Machine System with Rework

, M.Sc. Thesis Sharif University of Technology Haji, Babak (Author) ; Haji, Ali Reza (Supervisor)

Abstract

This research attempts to develop the optimal solution for an inventory problem consisting of a single machine which produces items some of which may be defective. We assume that no shortages are allowed and all defective items are to be reworked. Setup cost for rework and waiting time of defectives are considered. This research consists of two different parts. In the first part we consider two different policies where in the first policy in each cycle after the regular production the machine is setup for the rework of defectives of the same cycle. In the second policy several cycles constitute a period. All the defectives produced in the period are reworked in the last cycle of that period....

Improving the Reliability of Energy Harvesting Wireless Sensor Networks

, M.Sc. Thesis Sharif University of Technology Jalali, Fatemeh (Author) ; Ejlali , Ali Reza (Supervisor)

Abstract

Energy harvesters are used in today’s Wireless Sensor Networks (WSNs) to harvest the energy from the environment. One of the important advantages of the energy harvesting sensor networks over battery-operated sensor networks is that the use of the energy harvester prolongs the life time of the nodes, while a battery-operated node becomes useless once its energy runs out. Although an energy harvester can provide a supply source with a lifetime much greater than a battery, the amount of available energy for an energy harvesting system is a random variable and is not as predictable as the energy of a battery. This unpredictability may cause reliability problems. In order to solve the existing...

Response of Curved RC Shear Walls Under Cyclic Loading

, Ph.D. Dissertation Sharif University of Technology Abdoos, Hatef (Author) ; Khaloo, Ali Reza (Supervisor)

Abstract

Reinforced concrete (RC) shear walls with a curved cross-section are appealing structural elements to architects and engineers due to the aesthetic and structural advantages. Owing to the paucity of decent experimental research on curved RC shear walls (CRCSWs), the seismic response of these structural elements is essentially unknown. In that regard, this study includes research on a high-demanding type of structural element, which has found its application in North America, Europe, Asia, and to some extent in the Middle East with relatively no design specifications and laboratory research, structural analysis, and design methodology. Therefore, in order to provide an insight into the...

Selecting a Sustainable and Resilient Supplier in Cold Supply Chain Using Grey Multiple Criteria Decision Making Techniques

, M.Sc. Thesis Sharif University of Technology Farahmand, Mitra (Author) ; Hajji, Ali Reza (Supervisor)

Abstract

Supplier selection is a strategic decision that has a key impact on the success of the supply chain. Due to the nature of goods and storage conditions in the cold supply chain has a great impact on environmental pollution compared to other chains, and it also has the possibility of disrupting the chain due to the importance of temperature and time conditions. Currently, due to the spread of international pressures on the observance of environmental and social principles, the issue of choosing a sustainable supplier has been raised. Also, the expansion of supply chains has caused the challenges and risks faced by supply chains to expand and disrupt the chain, so the decision of supply chain...

Preparation, Physicochemical Evaluations and Kinetic Modeling of Vanadium Oxide Nanocatalysts over Carbon Nanostructures for Oxidative Dehydrogenation of Propane (ODHP) Reaction

, Ph.D. Dissertation Sharif University of Technology Fattahi, Moslem (Author) ; Kazemeini, Mohammad (Supervisor) ; Khorasheh, Farhad (Supervisor) ; Rashidi, Ali Morad (Supervisor)

Abstract

A series of V2O5 catalysts supported on multiwall carbon nanotube (MWCNT), single wall carbon nanotube (SWCNT) and graphene were synthesized by hydrothermal and reflux methods for oxidative dehydrogenation of propane (ODHP) to propylene. The catalysts were characterized by techniques including the BET surface area measurements, XRD, FTIR, H2-TPR, NH3-TPD, FESEM and UV-vis diffuse reflectance. The performance of the catalysts and the supports were subsequently examined in a fixed bed reactor. The vanadium catalyst supported on graphene with C/V molar ratio of 1:1 synthesized through the hydrothermal method had the best performance under the reactor test conditions of 450°C, feed C3H8/Air...

Fabrication and Characterization of ZnO Composites Nanofibers by Electrospinning Method for Photocatalytic Application

, Ph.D. Dissertation Sharif University of Technology Samadi Amin, Morasae (Author) ; Moshfegh, Ali Reza (Supervisor) ; Pourjavadi, Ali (Co-Advisor)

Abstract

In this research we focus on study and fabrication of ZnO composite nanofibers by electrospinning method for photocatalytic application. The most important challenges in the field of photocatalyst are photocatalytic activity under the visible light and efficiency enhancement. ZnO is a wide band gap semiconductor and it is not active under the visible light. In Iran, we have more than 300 sunny days in a year. Therefore fabrication and application of photocatalytic material with activity under the sun light that contained 40% of visible light is so vital in our country. In the first part of this project, ZnO-CNT nanofibers were fabricated and carbon doped in the crystal lattice of the ZnO....

The Exploratory Study of Customer Satisfaction & Loyalty in Private Access Provider (PAP)Companies: ADSL Internet Case in Iran

, M.Sc. Thesis Sharif University of Technology Beheshtinejad, Ali (Author) ; Miremadi, Ali Reza (Supervisor)

Abstract

Internet and the market based on this new product and service has penetrated in all aspects of today’s modern life of human being. After invention of this market each day a new innovation revolutionized this market and industry. High speed internet based on ADSL technology was one of these innovations. The high-speed internet service has achieved a remarkable increase in penetration in recent years. In order to survive in this competitive market, companies should continue to improve their service performance. The high level of service performance is believed to be an effective way to improve customer satisfaction and loyalty. In recent years, the high-speed internet service, based on the...