Sharif Digital Repository

The microscopic features of binary solvent systems formed by molecular solvents (methanol, ethanol, 2-methylpropan-2-ol, water, pyridine, acetonitrile, 1-propanol, 2-propanol, dimethylformamide) and the ionic liquid ([bmim]BF 4) as cosolvent were used to select mixed solvents with particular characteristics. Molecular-microscopic solvent parameters corresponding to these binary mixtures were utilised to study the kinetics of the nucleophilic substitution reaction between 2-chloro-3,5-dinitropyridine and aniline to investigate and compare the effects of the solvents on a model chemical reaction. For these mixtures, the solvation behaviour is dominated by both the dipolarity/ polarisability... 

Abstract Cu-15%NbC (volume fraction) powder was synthesized using the starting powders of Cu, Nb and graphite in a high energy vibratory disc mill for 7 h of milling under argon atmosphere. A composite sample and a Cu/NbC functionally graded material (FGM) sample were produced by using the two-step press and sintering at 900 °C for 1 h under vacuum. The microstructure and physical and mechanical properties of the specimens were investigated. The field emission scanning electron microscopy, energy dispersive X-ray and X-ray diffraction analysis confirmed the synthesis of the nanostructure matrix of 18-27 nm with the nanoparticles reinforcement of 42 nm after sintering, verifying the thermal... 

Crashworthiness, energy absorption capacity, and safety are important factors in the design of lightweight vehicles made of fiber-reinforced polymer composite (FRP) components. The relatively recent emergence of the nanotechnology industry has presented a novel means to augment the mechanical properties of various materials. As a result, recent attempts have contemplated the use of nanoparticles to further improve the resiliency of resins, especially when resins are used for mating FRP components. Therefore, a comprehensive understanding of the response of nanoreinforced polymer composites, subjected to various rates of loading, is of paramount importance for developing reliable structures.... 

This paper presents a novel DLL-based frequency synthesizer architecture to generate fractional multiples of reference frequency and reduce the power consumption of the frequency synthesis block. The architecture is adopted for French VHF application as an example. The DLL architecture allows for minimal area, while consuming low power. The proposed circuit can operate at a substantially low supply voltage. The circuit level and system level designs are presented. It was shown that for the mentioned standard, a mere 27 delay stages for VCDL are sufficient to cover French VHF band. Simulation results confirm the analytical predictions. The proposed DLL-based frequency synthesizer is... 

Shallow landslides triggered by heavy rainfalls have caused casualties and economic losses to domestic infrastructures and industries worldwide. Rainfall mainly reduces the soil matric suction and the shear resistance, resulting in shallow landslides. Vegetation is an eco-friendly and cost-effective method for stabilizing slopes prone to shallow landslides. This research aims to investigate the hydrological and mechanical effects of vegetation on slope stability through a numerical study approach. Vegetated and bare slopes were subjected to a recorded climate condition and two rainfall scenarios of high intensity (HI) and low intensity (LI). Matric suction and factor of safety of vegetated... 

The microscopic features of binary solvent systems formed by molecular solvents (methanol, ethanol, 2-methylpropan-2-ol, water, pyridine, acetonitrile, 1-propanol, 2-propanol, dimethylformamide) and the ionic liquid ([bmim]BF4) as cosolvent were used to select mixed solvents with particular characteristics. Molecular-microscopic solvent parameters corresponding to these binary mixtures were utilised to study the kinetics of the nucleophilic substitution reaction between 2-chloro-3,5-dinitropyridine and aniline to investigate and compare the effects of the solvents on a model chemical reaction. For these mixtures, the solvation behaviour is dominated by both the dipolarity/ polarisability and... 

In this study, the effect of the geometrical parameters of the Lateral Flow Immunoassay (LFI) membrane on the performance of the pregnancy kits is investigated. Consequently, a new geometry for LFI membrane is proposed based on some theoretical, numerical and experimental observations in order to improve the performance of the related kits. A pregnancy kit (for the detection of hCG in urine samples) is developed and the effect of the relocation of the test and the control lines over the membrane was studied based on the variation of the sample fluid velocity. Using Lattice-Boltzmann simulation of the lateral flow within the porous media and the experimental results, the fluid flow within the... 

The Model Driven Architecture (MDA) is meant to facilitate system development by using models for representing both the "problem" and its "solution". In its ideal form, software development based on MDA would follow a development process that begins by producing models of the problem domain at a high level of abstraction, and then proceeds by gradually and automatically transforming them into executable code with the help of tools. However, MDA-based development has encountered several setbacks, the mitigation of which requires detailed scrutiny and analysis. In this research, MDA-based development is analyzed through applying SWOT (Strengths, Weaknesses, Opportunities, and Threats) analysis... 

The gas-phase kinetics of diallyl sulfide pyrolysis were studied experimentally and theoretically in a static system over the temperature range 433-463 K and a total pressure of 80 Torr in a glass vessel with the free radical inhibitor cyclohexene. The experimental results show that this reaction is homogeneous, unimolecular and follows a first-order rate law. Theoretical studies at the B3LYP/6-31G* computational level indicate that the elimination reaction proceeds through a six-centered cyclic transition state and the reaction mechanism is concerted and non-synchronous. Copyright © 2003 John Wiley & Sons, Ltd  

A combined theoretical and experimental kinetic and mechanism of diallyl disulfide pyrolysis reaction in the gas phase was studied in a static system over the temperature range of 586.7-621.2 K and a total pressure of 72 Torr in the presence of cyclohexene as radicals inhibitor. The experimental results show that the reaction is homogeneous, unimolecular and proceeds through a radical mechanism. Theoretical calculations at the B3LYP level using the 6-31G*, 6-31++G* and 6-311++G* basis sets confirm the radical mechanism for the diallyl disulfide pyrolysis. The calculated kinetic and activation parameters especially at the B3LYP/6-31G* level are in good agreement with the experimental data. ©... 

Structural and kinetic aspects of the retro-cheletropic ene reactions of 2,2-dimethyl but-3-enal, 1-methyl-6-methylenecyclohexa-2,4-diene-1-carbaldehyde and their deuterated derivatives were investigated using a variety of computational methods. Theoretical calculations were carried out with ab initio and DFT methods at the RHF, MP2 and B3LYP levels of the theory, using the 6-31G* basis set. Vibrational frequency analysis confirmed the stationary states including the transition state (TSs) structures. Intrinsic reaction coordinate calculations show the localized TSs connect with the corresponding minima associated with the reactants and the products. The mechanistic studies on the...