Sharif Digital Repository

Bromophenols are known as antioxidant radical scavengers for some biomolecules such as those in marine red alga. Full understanding of the role played by bromophenols requires detailed knowledge of the radical scavenging activities in probable pathways, a focus of ongoing research. To gain detailed insight into two suggested pathways, H-atom transfer and electron transfer, theoretical studies employing first principle quantum mechanical calculations have been carried out on selected bromophenols. Detailed investigation of the aforementioned routes revealed that upon H-atom abstraction or the electron transfer process, bromophenols cause an increase in radical species in which the unpaired... 

The cauliflower like ZnO nanostructures are grown on ZnO nanorods using spray pyrolysis method. First, ZnO nanorod arrays are grown on p-type silicon substrate without catalyst by chemical vapor transport and condensation method in a horizontal tube furnace. Afterwards, the cauliflower like ZnO nanostructures is deposited on top of the ZnO nanorod array. The PL spectra of cauliflower like ZnO nanostructures consist of UV emission bands around 387 nm and a visible emission at ∼440 nm. The current-voltage (I-V) measurement under dark and UV illumination condition are performed to study photodetection of the cauliflower like ZnO-ZnO nanorod/p-Si heterostructure. The experimental data of dark... 

Here, the UV photodetection of ZnO rods grown on porous silicon substrates are reported. Laterally interconnected ZnO rods have been synthesized by chemical vapor transport and condensation method on porous silicon substrates. As characterized by current-voltage measurements the I-V characteristics have linear behavior, indicating space charge effect. The device exhibits photocurrent response of 0.027 A/W for 325 nm UV light under -5 V bias. The rise and decay time constants under these conditions are 19 and 62 s, respectively  

Thermal transport characteristics of electroosmotic flow of power-law fluids in the presence of pressure gradient through a slit microchannel are studied in this paper. Considering a fully developed flow with a constant wall heat flux as the boundary condition, the governing equations are numerically solved by means of the finite difference method. A complete parametric study is done in order to investigate the effects of different flow parameters on the thermal behaviors of the flow. The results show that the non-Newtonian characteristic of the fluid can influence the thermal behaviors of the flow by affecting the rate of heat convection and viscous dissipation; however, its influence... 

Generally speaking, most micro-fluidic mixing systems are limited to the low Reynolds number regime in which diffusion dominates convection, and consequently the mixing process tends to be slow and it takes a relatively long time to have two fluids completely mixed. Therefore, rapid mixing is essential in micro-fluidic systems. In order to hasten the mixing process in micro scale, in this study we come up with a novel scheme for a two dimensional micro-fluidic mixer which encompasses three pairs of electrodes, one pair embedded in the mixing chamber and two pairs located in the micro-channels before and after the mixing chamber. The width of the middle pair is assumed to be twice of the... 

The bio-microfluidic systems are usually encountered with non-Newtonian behaviors of working fluids. The rheological behavior of some bio-fluids can be described by differential viscoelastic constitutive equations that are related to PTT and FENE-P models. In the present work, thermal transport characteristics of the steady fully developed electroosmotic flow of these fluids in a slit microchannel with constant wall heat fluxes have been investigated. The Debye-Huckel linearization is adopted and the effects of viscous dissipation and Joule heating are taken into account. Analytical solutions are obtained for the transverse distributions of velocity and temperature and finally for Nusselt... 

TiO2 nanotubes were synthesized using a modified autoclave-free thermal method from as-prepared initial powders. The size of initial powders (IP) was found to be critical in determining the morphology and crystal structure of the final product. Oleylamine (OA) was used as the polymer agent in the preparation of initial powders with different mol ratios of OA/Ti: 1, 5, and 10. X-ray diffraction analysis depicted that the increase of mole ratio up to 10 resulted in smaller nanoparticles with the sizes of about 8 nm. It was also deliberated that low temperature thermally treated IP showed the characteristic diffraction pattern of titanate phase of nanotubes. Scanning electron... 

Molecular dynamics simulations of four ionic liquids (ILs) based on the [Tf2N] bis(trifluoromethanesulfonyl)imide anion, and imidazolium cations with different alkyl side chains have been performed. These simulations investigate the influence of butyl side chain elimination, tail amine functional addition, and C2 methylation on the dynamics and transport properties of this family of ionic liquids at 400 K. In our earlier work (J. Chem. Eng. Data, 2014, 59, 2834-2849), a suite of thermodynamic quantities and microscopic structures of these ILs were studied by classical molecular dynamics simulations and ab initio calculations. In this work, the dynamics of the ILs are studied by calculating... 

Increasing cuttings bed height is a serious concern during extended-reach well drilling. In order to predict and prevent cuttings bed height increase, it is essential to study how the critical parameters influence the cuttings transport, especially the drill pipe rotation effects on the cuttings transport process. In conventional models for cuttings transport, the dynamic behavior of particles due to drill pipe rotation is neglected or empirically simplified. This paper presents a coupled Computational Fluid Dynamics and Discrete Element Method (CFD-DEM) approach to simulate the cuttings transport considering the dynamic collision process. The fluid phase is treated as an Eulerian continuum... 

Although Alkaline-Surfactant-Polymer (ASP) flooding is proved to be efficient for heavy oil recovery, the displacement mechanisms/efficiency of this process should be discussed further in fractured porous media especially in typical waterflood geometrical configurations such as five-spot injection-production pattern. In this study, several ASP flooding tests were conducted in fractured glass-etched micromodels which were initially saturated with heavy oil. The ASP flooding tests were conducted at constant injection flow rates and different fracture geometrical characteristics were used. The ASP solutions constituted of five polymers, two surfactants and three alkaline types. The results... 

Consideration is given to shear-rate-dependent rheology effects on mass transport in a heterogeneous microreactor of rectangular cross section, utilizing both numerical and analytical approaches. The carrier liquid obeys the power-law viscosity model and is actuated primarily by an electrokinetic pumping mechanism. It is discovered that, considering the shear-thinning biofluids to be Newtonian fluids gives rise to an overestimation of the saturation time. The degree of overestimation is higher in the presence of large Damkohler numbers and electric double layer thicknesses. It is also increased by the application of a favorable pressure gradient, whereas the opposite is true when an opposed... 

A5/1 is the strong version of the encryption algorithm on GSM (Global System for Mobile communications) used in many countries. It is constructed of a combination of three LFSRs (Linear Feedback Shift Registers) with irregular clocking manner. One of the most practical attacks against this algorithm is time-memory trade-off attack, which is based on birthday paradox. The goal of this attack is to find any intersection between precomputed LFSRs states set and set of states generating the output bits in the actual execution of the algorithm. In order to increase feasibility of this attack, the biased birthday attack was introduced. In this attack special states producing a specific pattern in... 

In this work, a comparative study has been performed on two ex-situ and one in-situ doping of titania photoanodes with reduced graphene oxide. The presence of finely dispersed reduced graphene oxide facilitates electron transport and reduces electron-hole recombination resulting in a better performance of doped titania photoanodes. It was found that in-situ doping, i.e. introduction of graphene oxide in solution together with titania precursor was the most performant case of graphene doping. This result was obvious by studying dye-sensitized solar cells based on such doped photoanodes but was also and mainly analytically demonstrated by subjecting the obtained materials to characterization... 

Hydrodynamically fully developed flow of power-law fluids under combined action of electroosmotic and pressure gradient forces in rectangular microreactors is analyzed considering heterogeneous catalytic reactions. The Poisson-Boltzmann, Cauchy momentum, and concentration equations are considered in two dimensions and after being dimensionless are numerically solved applying a finite difference algorithm. Variation of axial concentration gradient, and axial and horizontal mass diffusions are taken into account as well. To accomplish a more general analysis, the velocity distribution is obtained by solving continuity and Cauchy momentum equations and is not considered as an average axial... 

Despite the wide application ranges of TiO2, the precise explanation of the charge transport dynamic through a mixed crystal phase of this semiconductor has remained elusive. Here, in this research, mixed-phase TiO2 nanotube arrays (TNTAs) consisting of anatase and 0-15% rutile phases has been formed through various annealing processes and employed as a photoelectrode of a photovoltaic cell. Wide ranges of optoelectronic experiments have been employed to explore the band alignment position, as well as the depth and density of trap states in TNTAs. Short circuit potential, as well as open circuit potential measurements specified that the band alignment of more than 0.2 eV exists between the... 

In this work, the antioxidant ability of fisetin was explored toward hydroxyl (•OH) radical in aqueous and lipid solution using density functional level of theory. Different reaction mechanisms have been studied: hydrogen atom transfer, single electron transfer followed by proton transfer, and radical adduct formation, and sequential proton loss electron transfer. Rate constants for all possible reaction sites have been calculated using conventional transition state theory in conjunction with the Collins-Kimball theory. Branching ratios for the different channels of reaction are reported for the first time. Results show that the reactivity of fisetin toward hydroxyl (•OH) radical takes place... 

Finding the optimal flow pattern in bipolar plates of a proton exchange membrane is a crucial step for enhancing the performance of the device. This design plays a critical role in fluid mass transport through microporous layers, charge transfer through conductive media, management of the liquid water produced in microchannels, and microporous layers and heat management in fuel cells. This article investigates different types of common flow patterns in bipolar plates while considering a uniform pressure and velocity distribution as well as a uniform distribution of reactants through all the surfaces of the catalyst layer as the design criteria so that there would be a consistent electron... 

We decorated Zn-doped TiO2-nanoparticle-based photoanodes with carbon nanotube (CNT)-derived TiO2 nanotubes (TNs) to enhance the power conversion efficiency of dye-sensitized solar cells (DSCs). X-ray photoelectron spectroscopy analysis verified that Zn ions, in the range of 0 to 1 at %, were successfully doped into the TiO2 lattice. Field-emission SEM and TEM images of the TNs, as derived from the sol–gel template-assisted route, revealed that a uniform TiO2 coating with a thickness of 60 to 120 nm was deposited on the surface of the CNT template through a noncovalent route. We observed that the cell efficiency improved from 6.80 for pure TiO2 to 7.52 for 0.75 at % Zn-doped TiO2... 

The effects of finite magnetization and electric polarization on dissipative and non-dissipative (anomalous) transport coefficients of a chiral fluid are studied. First, using the second law of thermodynamics as well as Onsager's time-reversal symmetry principle, the complete set of dissipative transport coefficients of this medium is derived. It is shown that the properties of the resulting shear and bulk viscosities are mainly affected by the anisotropy induced by external electric and magnetic fields. Then, using the fact that the anomaly induced currents do not contribute to entropy production, the corresponding algebro-differential equations to non-dissipative anomalous transport... 

Au@TiO2-Graphene (GR) nanocomposite was prepared using photocatalytic reduction method. TiO2-GR nanocomposite was synthesized under UV irradiation of deaerated ethanolic suspension of TiO2. The nanocomposite was calcined at 400∘C followed by loading of highly dispersed Au nanoparticles throughout the deposition-precipitation method. The Au@TiO2/GR was characterized by X-ray diffraction, X-ray photoelectron spectroscopy, diffuse reflectance spectroscopy, transmission electron microscope and the BET surface area measurements. It was found that Au-TiO2-GR and TiO2-GR nanoparticles have smaller crystalline size and higher surface area than pure TiO2. Presence of highly dispersed Au nanoparticles...