Search results for: phase velocity
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5841

Search results for: phase velocity

4221 Topography Effects on Wind Turbines Wake Flow

Authors: H. Daaou Nedjari, O. Guerri, M. Saighi

Abstract:

A numerical study was conducted to optimize the positioning of wind turbines over complex terrains. Thus, a two-dimensional disk model was used to calculate the flow velocity deficit in wind farms for both flat and complex configurations. The wind turbine wake was assessed using the hybrid methods that combine CFD (Computational Fluid Dynamics) with the actuator disc model. The wind turbine rotor has been defined with a thrust force, coupled with the Navier-Stokes equations that were resolved by an open source computational code (Code_Saturne V3.0 developed by EDF) The simulations were conducted in atmospheric boundary layer condition considering a two-dimensional region located at the north of Algeria at 36.74°N longitude, 02.97°E latitude. The topography elevation values were collected according to a longitudinal direction of 1km downwind. The wind turbine sited over topography was simulated for different elevation variations. The main of this study is to determine the topography effect on the behavior of wind farm wake flow. For this, the wake model applied in complex terrain needs to selects the singularity effects of topography on the vertical wind flow without rotor disc first. This step allows to determine the existence of mixing scales and friction forces zone near the ground. So, according to the ground relief the wind flow waS disturbed by turbulence and a significant speed variation. Thus, the singularities of the velocity field were thoroughly collected and thrust coefficient Ct was calculated using the specific speed. In addition, to evaluate the land effect on the wake shape, the flow field was also simulated considering different rotor hub heights. Indeed, the distance between the ground and the hub height of turbine (Hhub) was tested in a flat terrain for different locations as Hhub=1.125D, Hhub = 1.5D and Hhub=2D (D is rotor diameter) considering a roughness value of z0=0.01m. This study has demonstrated that topographical farm induce a significant effect on wind turbines wakes, compared to that on flat terrain.

Keywords: CFD, wind turbine wake, k-epsilon model, turbulence, complex topography

Procedia PDF Downloads 562
4220 CFD Study on the Effect of Primary Air on Combustion of Simulated MSW Process in the Fixed Bed

Authors: Rui Sun, Tamer M. Ismail, Xiaohan Ren, M. Abd El-Salam

Abstract:

Incineration of municipal solid waste (MSW) is one of the key scopes in the global clean energy strategy. A computational fluid dynamics (CFD) model was established. In order to reveal these features of the combustion process in a fixed porous bed of MSW. Transporting equations and process rate equations of the waste bed were modeled and set up to describe the incineration process, according to the local thermal conditions and waste property characters. Gas phase turbulence was modeled using k-ε turbulent model and the particle phase was modeled using the kinetic theory of granular flow. The heterogeneous reaction rates were determined using Arrhenius eddy dissipation and the Arrhenius-diffusion reaction rates. The effects of primary air flow rate and temperature in the burning process of simulated MSW are investigated experimentally and numerically. The simulation results in bed are accordant with experimental data well. The model provides detailed information on burning processes in the fixed bed, which is otherwise very difficult to obtain by conventional experimental techniques.

Keywords: computational fluid dynamics (CFD) model, waste incineration, municipal solid waste (MSW), fixed bed, primary air

Procedia PDF Downloads 400
4219 Internal Stresses and Structural Evolutions in Zr Alloys during Oxidation at High Temperature and Subsequent Cooling

Authors: Raphaelle Guillou, Matthieu Le Saux, Jean-Christophe Brachet, Thomas Guilbert, Elodie Rouesne, Denis Menut, Caroline Toffolon-Masclet, Dominique Thiaudiere

Abstract:

In some hypothetical accidental situations, such as during a Loss Of Coolant Accident (LOCA) in pressurized water reactors, fuel cladding tubes made of zirconium alloys can be exposed for a few minutes to steam at High Temperature (HT up to 1200°C) before being cooled and then quenched in water. Under LOCA-like conditions, the cladding undergoes a number of metallurgical changes (phase transformations, oxygen diffusion and growth of an oxide layer...) and is consequently submitted to internal stresses whose state evolves during the transient. These stresses can have an effect on the oxide structure and the oxidation kinetics of the material. They evolve during cooling, owing to differences between the thermal expansion coefficients of the various phases and phase transformations of the metal and the oxide. These stresses may result in the failure of the cladding during quenching, once the material is embrittled by oxidation. In order to progress in the evaluation of these internal stresses, X-ray diffraction experiments were performed in-situ under synchrotron radiation during HT oxidation and subsequent cooling on Zircaloy-4 sheet samples. First, structural evolutions, such as phase transformations, have been studied as a function of temperature for both the oxide layer and the metallic substrate. Then, internal stresses generated within the material oxidized at temperatures between 700 and 900°C have been evaluated thanks to the 2θ diffraction peak position shift measured during the in-situ experiments. Electron backscatter diffraction (EBSD) analysis was performed on the samples after cooling in order to characterize their crystallographic texture. Furthermore, macroscopic strains induced by oxidation in the conditions investigated during the in-situ X-ray diffraction experiments were measured in-situ in a dilatometer.

Keywords: APRP, stains measurements, synchrotron diffraction, zirconium allows

Procedia PDF Downloads 308
4218 An Impairment of Spatiotemporal Gait Adaptation in Huntington's Disease when Navigating around Obstacles

Authors: Naznine Anwar, Kim Cornish, Izelle Labuschagne, Nellie Georgiou-Karistianis

Abstract:

Falls and subsequent injuries are common features in symptomatic Huntington’s disease (symp-HD) individuals. As part of daily walking, navigating around obstacles may incur a greater risk of falls in symp-HD. We designed obstacle-crossing experiment to examine adaptive gait dynamics and to identify underlying spatiotemporal gait characteristics that could increase the risk of falling in symp-HD. This experiment involved navigating around one or two ground-based obstacles under two conditions (walking while navigating around one obstacle, and walking while navigating around two obstacles). A total of 32 participants were included, 16 symp-HD and 16 healthy controls with age and sex matched. We used a GAITRite electronic walkway to examine the spatiotemporal gait characteristics and inter-trail gait variability when participants walked at their preferable speed. A minimum of six trials were completed which were performed for baseline free walk and also for each and every condition during navigating around the obstacles. For analysis, we separated all walking steps into three phases as approach steps, navigating steps and recovery steps. The mean and inter-trail variability (within participant standard deviation) for each step gait variable was calculated across the six trails. We found symp-HD individuals significantly decreased their gait velocity and step length and increased step duration variability during the navigating steps and recovery steps compared with approach steps. In contrast, HC individuals showed less difference in gait velocity, step time and step length variability from baseline in both respective conditions as well as all three approaches. These findings indicate that increasing spatiotemporal gait variability may be a possible compensatory strategy that is adopted by symp-HD individuals to effectively navigate obstacles during walking. Such findings may offer benefit to clinicians in the development of strategies for HD individuals to improve functional outcomes in the home and hospital based rehabilitation program.

Keywords: Huntington’s disease, gait variables, navigating around obstacle, basal ganglia dysfunction

Procedia PDF Downloads 440
4217 Effects of Bone Marrow Derived Mesenchymal Stem Cells (MSC) in Acute Respiratory Distress Syndrome (ARDS) Lung Remodeling

Authors: Diana Islam, Juan Fang, Vito Fanelli, Bing Han, Julie Khang, Jianfeng Wu, Arthur S. Slutsky, Haibo Zhang

Abstract:

Introduction: MSC delivery in preclinical models of ARDS has demonstrated significant improvements in lung function and recovery from acute injury. However, the role of MSC delivery in ARDS associated pulmonary fibrosis is not well understood. Some animal studies using bleomycin, asbestos, and silica-induced pulmonary fibrosis show that MSC delivery can suppress fibrosis. While other animal studies using radiation induced pulmonary fibrosis, liver, and kidney fibrosis models show that MSC delivery can contribute to fibrosis. Hypothesis: The beneficial and deleterious effects of MSC in ARDS are modulated by the lung microenvironment at the time of MSC delivery. Methods: To induce ARDS a two-hit mouse model of Hydrochloric acid (HCl) aspiration (day 0) and mechanical ventilation (MV) (day 2) was used. HCl and injurious MV generated fibrosis within 14-28 days. 0.5x106 mouse MSCs were delivered (via both intratracheal and intravenous routes) either in the active inflammatory phase (day 2) or during the remodeling phase (day 14) of ARDS (mouse fibroblasts or PBS used as a control). Lung injury accessed using inflammation score and elastance measurement. Pulmonary fibrosis was accessed using histological score, tissue collagen level, and collagen expression. In addition alveolar epithelial (E) and mesenchymal (M) marker expression profile was also measured. All measurements were taken at day 2, 14, and 28. Results: MSC delivery 2 days after HCl exacerbated lung injury and fibrosis compared to HCl alone, while the day 14 delivery showed protective effects. However in the absence of HCl, MSC significantly reduced the injurious MV-induced fibrosis. HCl injury suppressed E markers and up-regulated M markers. MSC delivery 2 days after HCl further amplified M marker expression, indicating their role in myofibroblast proliferation/activation. While with 14-day delivery E marker up-regulation was observed indicating their role in epithelial restoration. Conclusions: Early MSC delivery can be protective of injurious MV. Late MSC delivery during repair phase may also aid in recovery. However, early MSC delivery during the exudative inflammatory phase of HCl-induced ARDS can result in pro-fibrotic profiles. It is critical to understand the interaction between MSC and the lung microenvironment before MSC-based therapies are utilized for ARDS.

Keywords: acute respiratory distress syndrome (ARDS), mesenchymal stem cells (MSC), hydrochloric acid (HCl), mechanical ventilation (MV)

Procedia PDF Downloads 667
4216 Model Based Design and Development of Horticultural Produce Crate from Bamboo

Authors: Sisay Wondmagegn Molla, Mulugeta Admasu Delele, Tadelle Nigusu Mekonen

Abstract:

It is common to observe quality deterioration and mechanical injury of horticulture products as a result of suboptimal design and handling of the packaging systems. Society uses the old and primitive way of handling horticulture products, which is produced through trial and error This method is known to have many limitations on quality, environmental pollution, labor and cost. Ethiopia stands first in bamboo resources in Africa, which is 67 % of the African and 7 % of the world's bamboo resources. The purpose of this project was to design and develop bamboo-based ventilated horticultural produce crates using validated computational fluid dynamics (CFD). The model was used to predict the airflow and temperature distribution inside the loaded crate. The study included: sizing, collection of the thermo-physical properties, and designing and developing a CFD model of the bamboo-based ventilated horticultural crate. The designed crate (40×30×25cm) had a capacity of about 18 kg, and cold air temperature (130C) was used for cooling the fruit. Airflow in the loaded crate is far from uniform. There is a relatively high-velocity flow at the top, near inlet and near outlet sections, and a relatively low airflow near the center of the loaded crate. The predicted velocity variation within the bulk of the produce was relatively large, it was in the range of 0.04-7m/s. The vented produce package contributed the highest cooling airflow resistance. Similar to the airflow, the cooling characteristics of the product were not uniform. There was a difference in the cooling rate of the produce in the airflow direction and from the top to the bottom section of the loaded crate. The products that were located near the inlet side and top of the bulk showed a faster cooling rate than the rest of the bulk. The result showed that the produced volume average temperature was 17.9°C after a cooling period of 3 hr. It was reduced by 12.05°C. The result showed the potential of the CFD modeling approach in developing the bamboo-based design of horticultural produce crates in terms of airflow and heat transfer characteristics.

Keywords: bamboo, modeling, cooling, horticultural, packaging

Procedia PDF Downloads 22
4215 Functionalization of Polypropylene with Chiral Monomer for Improving Hemocompatibility

Authors: Xiaodong Xu, Dan Zhao, Xiujuan Chang, Chunming Li, Huiyun Zhou, Xin Li, Qiang Shi, Shifang Luan, Jinghua Yin

Abstract:

Polypropylene (PP) is one of the most commonly used plastics because of its low density, outstanding mechanical properties, and low cost. However, its drawbacks such as low surface energy, poor dyeability, lack of chemical functionalities, and poor compatibility with polar polymers and inorganic materials, have restricted the application of PP. To expand its application in biomedical materials, functionalization is considered to be the most effective way. In this study, PP was functionalized with a chiral monomer, (S)-1-acryloylpyrrolidine-2-carboxylic acid ((S)-APCA), by free-radical grafting in the solid phase. The grafting degree of PP-g-APCA was determined by chemical titration method, and the chemical structure of functionalized PP was characterized by FTIR spectroscopy, which confirmed that the chiral monomer (S)-APCA was successfully grafted onto PP. Static water contact angle results suggested that the surface hydrophilicity of PP was significantly improved by solid phase grafting and assistance of surface water treatment. Protein adsorption and platelet adhesion results showed that hemocompatibility of PP was greatly improved by grafting the chiral monomer.

Keywords: functionalization, polypropylene, chiral monomer, hemocompatibility

Procedia PDF Downloads 378
4214 Generation of Charged Nanoparticles in the Gas Phase and their Contribution to Deposition of GaN Films and Nanostructures during Atmospheric Pressure Chemical Vapor Deposition

Authors: Jin-Woo Park, Sung-Soo Lee, Nong-Moon Hwang

Abstract:

The generation of charged nanoparticles in the gas phase during the Chemical Vapor Deposition (CVD) process has been frequently reported with their subsequent deposition into films and nanostructures in many systems such as carbon, silicon and zinc oxide. The microstructure evolution of films and nanostructures is closely related with the size distribution of charged nanoparticles. To confirm the generation of charged nanoparticles during GaN, the generation of GaN charged nanoparticles was examined in an atmospheric pressure CVD process using a Differential Mobility Analyser (DMA) combined with a Faraday Cup Electrometer (FCE). It was confirmed that GaN charged nanoparticles were generated under the condition where GaN nanostructures were synthesized on the bare and Au-coated Si substrates. In addition, the deposition behaviour depends strongly on the charge transfer rate of metal substrates. On the metal substrates of a lower CTR such as Mo, the deposition rate of GaN was much lower than on those of a higher CTR such as Fe. GaN nanowires tend to grow on the substrates of a lower CTR whereas GaN thin films tend to be deposited on the substrates of a higher CTR.

Keywords: chemical vapour deposition, charged cluster model, generation of charged nanoparticles, deposition behaviour, nanostructures, gan, charged transfer rate

Procedia PDF Downloads 435
4213 Influence of Surfactant on Supercooling Degree of Aqueous Titania Nanofluids in Energy Storage Systems

Authors: Hoda Aslani, Mohammad Moghiman, Mohammad Aslani

Abstract:

Considering the demand to reduce global warming potential and importance of solidification in various applications, there is an increasing interest in energy storage systems to find the efficient phase change materials. Therefore, this paper presents an experimental study and comparison on the potential of titania nanofluids with and without surfactant for cooling energy storage systems. A designed cooling generation device based on compression refrigeration cycle is used to explore nanofluids solidification characteristics. In this work, titania nanoparticles of 0.01, 0.02 and 0.04 wt.% are dispersed in deionized water as base fluid. Measurement of phase change parameters of nanofluids illustrates that the addition of polyvinylpyrrolidone (PVP) as surfactant to titania nanofluids advances the onset nucleation time and leads to lower solidification time. Also, the experimental results show that only adding 0.02 wt.% titania nanoparticles, especially in the case of nanofluids with a surfactant, can evidently reduce the supercooling degree by nearly 70%. Hence, it is concluded that there is a great energy saving potential in the energy storage systems using titania nanofluid with PVP.

Keywords: cooling energy storage, nanofluid, PVP, solidification, titania

Procedia PDF Downloads 191
4212 Effect of Different Porous Media Models on Drug Delivery to Solid Tumors: Mathematical Approach

Authors: Mostafa Sefidgar, Sohrab Zendehboudi, Hossein Bazmara, Madjid Soltani

Abstract:

Based on findings from clinical applications, most drug treatments fail to eliminate malignant tumors completely even though drug delivery through systemic administration may inhibit their growth. Therefore, better understanding of tumor formation is crucial in developing more effective therapeutics. For this purpose, nowadays, solid tumor modeling and simulation results are used to predict how therapeutic drugs are transported to tumor cells by blood flow through capillaries and tissues. A solid tumor is investigated as a porous media for fluid flow simulation. Most of the studies use Darcy model for porous media. In Darcy model, the fluid friction is neglected and a few simplified assumptions are implemented. In this study, the effect of these assumptions is studied by considering Brinkman model. A multi scale mathematical method which calculates fluid flow to a solid tumor is used in this study to investigate how neglecting fluid friction affects the solid tumor simulation. In this work, the mathematical model in our previous studies is developed by considering two model of momentum equation for porous media: Darcy and Brinkman. The mathematical method involves processes such as fluid flow through solid tumor as porous media, extravasation of blood flow from vessels, blood flow through vessels and solute diffusion, convective transport in extracellular matrix. The sprouting angiogenesis model is used for generating capillary network and then fluid flow governing equations are implemented to calculate blood flow through the tumor-induced capillary network. Finally, the two models of porous media are used for modeling fluid flow in normal and tumor tissues in three different shapes of tumors. Simulations of interstitial fluid transport in a solid tumor demonstrate that the simplifications used in Darcy model affect the interstitial velocity and Brinkman model predicts a lower value for interstitial velocity than the values that Darcy model does.

Keywords: solid tumor, porous media, Darcy model, Brinkman model, drug delivery

Procedia PDF Downloads 305
4211 Prediction of Extreme Precipitation in East Asia Using Complex Network

Authors: Feng Guolin, Gong Zhiqiang

Abstract:

In order to study the spatial structure and dynamical mechanism of extreme precipitation in East Asia, a corresponding climate network is constructed by employing the method of event synchronization. It is found that the area of East Asian summer extreme precipitation can be separated into two regions: one with high area weighted connectivity receiving heavy precipitation mostly during the active phase of the East Asian Summer Monsoon (EASM), and another one with low area weighted connectivity receiving heavy precipitation during both the active and the retreat phase of the EASM. Besides,a way for the prediction of extreme precipitation is also developed by constructing a directed climate networks. The simulation accuracy in East Asia is 58% with a 0-day lead, and the prediction accuracy is 21% and average 12% with a 1-day and an n-day (2≤n≤10) lead, respectively. Compare to the normal EASM year, the prediction accuracy is lower in a weak year and higher in a strong year, which is relevant to the differences in correlations and extreme precipitation rates in different EASM situations. Recognizing and identifying these effects is good for understanding and predicting extreme precipitation in East Asia.

Keywords: synchronization, climate network, prediction, rainfall

Procedia PDF Downloads 442
4210 Heat Transfer of an Impinging Jet on a Plane Surface

Authors: Jian-Jun Shu

Abstract:

A cold, thin film of liquid impinging on an isothermal hot, horizontal surface has been investigated. An approximate solution for the velocity and temperature distributions in the flow along the horizontal surface is developed, which exploits the hydrodynamic similarity solution for thin film flow. The approximate solution may provide a valuable basis for assessing flow and heat transfer in more complex settings.

Keywords: flux, free impinging jet, solid-surface, uniform wall temperature

Procedia PDF Downloads 477
4209 Lacustrine Sediments of the Poljanska Locality in the Miocene Climatic Optimum North Croatian Basin, Croatia

Authors: Marijan KovačIć, Davor Pavelić, Darko Tibljaš, Ivo Galić, Frane Marković, Ivica PavičIć

Abstract:

The North Croatian Basin (NCB) occupies the southwestern part of the Pannonian Basin System and belongs to the Central Paratethys realm. In a quarry near the village of Poljanska, on the southern slopes of Mt. Papuk in eastern Croatia, a 40-meter-thick section is exposed, consisting of well-bedded, mixed, carbonate-siliciclastic deposits with occurrences of pyroclastics. Sedimentological investigation indicates that a salina lake developed in the central NCB during the late early Miocene. Field studies and mineralogical and petrological analyses indicate that alternations of laminated crypto- characterize the lower part of the section to microcrystalline dolomite and analcimolite (sedimentary rocks composed essentially of authigenic analcime) associated with tuffites and marls. The pyroclastic material is a product of volcanic activity at the end of the early Miocene, while the formation of analcime, the zeolite group mineral, is a result of an alteration of pyroclastic material in an alkaline lacustrine environment. These sediments were deposited in a shallow, hydrologically closed lake that was controlled by an arid climate during the first phase of its development. The middle part of the section consists of dolomites interbedded with analcimolites and sandstones. The sandstone beds are a result of the increased supply of clastic material derived from the locally uplifted metamorphic and granitoid basement. The emplacement of sandstones and dolomites reflects a distinct alternation of hydrologically open and closed lacustrine environments controlled by the frequent alternation of humid and arid climates, representing the second phase of lake development. The siliciclastics of the third phase of lake development were deposited during the Middle Miocene in a hydrologically mostly open lake. All lacustrine deposition coincides with the Miocene Climatic Optimum, which was characterized by a hot and warm climate. The sedimentological data confirm the mostly wet conditions previously identified by paleobotanical studies in the region. The exception is the relatively long interval of arid climate in the late early Miocene that controlled the first phase of lake evolution, i.e., the salina-type lake.

Keywords: early Miocene, Pannonian basin System, pyroclastics, salina-type lake

Procedia PDF Downloads 208
4208 Evaluation of Duncan-Chang Deformation Parameters of Granular Fill Materials Using Non-Invasive Seismic Wave Methods

Authors: Ehsan Pegah, Huabei Liu

Abstract:

Characterizing the deformation properties of fill materials in a wide stress range always has been an important issue in geotechnical engineering. The hyperbolic Duncan-Chang model is a very popular model of stress-strain relationship that captures the nonlinear deformation of granular geomaterials in a very tractable manner. It consists of a particular set of the model parameters, which are generally measured from an extensive series of laboratory triaxial tests. This practice is both time-consuming and costly, especially in large projects. In addition, undesired effects caused by soil disturbance during the sampling procedure also may yield a large degree of uncertainty in the results. Accordingly, non-invasive geophysical seismic approaches may be utilized as the appropriate alternative surveys for measuring the model parameters based on the seismic wave velocities. To this end, the conventional seismic refraction profiles were carried out in the test sites with the granular fill materials to collect the seismic waves information. The acquired shot gathers are processed, from which the P- and S-wave velocities can be derived. The P-wave velocities are extracted from the Seismic Refraction Tomography (SRT) technique while S-wave velocities are obtained by the Multichannel Analysis of Surface Waves (MASW) method. The velocity values were then utilized with the equations resulting from the rigorous theories of elasticity and soil mechanics to evaluate the Duncan-Chang model parameters. The derived parameters were finally compared with those from laboratory tests to validate the reliability of the results. The findings of this study may confidently serve as the useful references for determination of nonlinear deformation parameters of granular fill geomaterials. Those are environmentally friendly and quite economic, which can yield accurate results under the actual in-situ conditions using the surface seismic methods.

Keywords: Duncan-Chang deformation parameters, granular fill materials, seismic waves velocity, multichannel analysis of surface waves, seismic refraction tomography

Procedia PDF Downloads 181
4207 A Sociological Investigation on the Population and Public Spaces of Nguyen Cong Tru, a Soviet-Style Collective Housing Complex in Hanoi in Regards to Its New Community-Focused Architectural Design

Authors: Duy Nguyen Do, Bart Julien Dewancker

Abstract:

Many Soviet-style collective housing complexes (also known as KTT) were built since the 1960s in Hanoi to support the post-war population growth. Those low-rise buildings have created well-knitted, robust communities, so much to the point that in most complexes, all families in one housing block would know each other, occasionally interact and provide supports in need. To understand how the community of collective housing complexes have developed and maintained in order to adapt their advantages into modern housing designs, the study is executed on the site of Nguyen Cong Tru KTT. This is one of the oldest KTT in Hanoi, completed in 1954. The complex also has an unique characteristic that is closely related to its community: the symbiotic relationship with Hom – a flea market that has been co-developing with Nguyen Cong Tru KTT since its beginning. The research consists of three phases: the first phase is a sociological investigation with Nguyen Cong Tru KTT’s current residents and a site survey on the complex’s economic and architectural characteristics. In the second phase, the collected data is analyzed to find out people’s opinions with the KTT’s concerning their satisfaction with the current housing status, floor plan organization, community, the relationship between the KTT’s dedicated public spaces with the flea market and their usage. Simultaneously, the master plan and gathered information regarding current architectural characteristics of the complex are also inspected. On the third phase, the analyses’ results will provide information regarding the issues, positive trends and significant historical features of the complex’s architecture in order to generate suitable proposals for the redesigning project of Nguyen Cong Tru KTT, a design focused on vitalizing modern apartments’ communities.

Keywords: collective house community, collective house public space, community-focused, redesigning Nguyen Cong Tru KTT, sociological investigation

Procedia PDF Downloads 361
4206 Role of Calcination Treatment on the Structural Properties and Photocatalytic Activity of Nanorice N-Doped TiO₂ Catalyst

Authors: Totsaporn Suwannaruang, Kitirote Wantala

Abstract:

The purposes of this research were to synthesize titanium dioxide photocatalyst doped with nitrogen (N-doped TiO₂) by hydrothermal method and to test the photocatalytic degradation of paraquat under UV and visible light illumination. The effect of calcination treatment temperature on their physical and chemical properties and photocatalytic efficiencies were also investigated. The characterizations of calcined N-doped TiO₂ photocatalysts such as specific surface area, textural properties, bandgap energy, surface morphology, crystallinity, phase structure, elements and state of charges were investigated by Brunauer, Emmett, Teller (BET) and Barrett, Joyner, Halenda (BJH) equations, UV-Visible diffuse reflectance spectroscopy (UV-Vis-DRS) by using the Kubelka-Munk theory, Wide-angle X-ray scattering (WAXS), Focussed ion beam scanning electron microscopy (FIB-SEM), X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS), respectively. The results showed that the effect of calcination temperature was significant on surface morphology, crystallinity, specific surface area, pore size diameter, bandgap energy and nitrogen content level, but insignificant on phase structure and oxidation state of titanium (Ti) atom. The N-doped TiO₂ samples illustrated only anatase crystalline phase due to nitrogen dopant in TiO₂ restrained the phase transformation from anatase to rutile. The samples presented the nanorice-like morphology. The expansion on the particle was found at 650 and 700°C of calcination temperature, resulting in increased pore size diameter. The bandgap energy was determined by Kubelka-Munk theory to be in the range 3.07-3.18 eV, which appeared slightly lower than anatase standard (3.20 eV), resulting in the nitrogen dopant could modify the optical absorption edge of TiO₂ from UV to visible light region. The nitrogen content was observed at 100, 300 and 400°C only. Also, the nitrogen element disappeared at 500°C onwards. The nitrogen (N) atom can be incorporated in TiO₂ structure with the interstitial site. The uncalcined (100°C) sample displayed the highest percent paraquat degradation under UV and visible light irradiation due to this sample revealed both the highest specific surface area and nitrogen content level. Moreover, percent paraquat removal significantly decreased with increasing calcination treatment temperature. The nitrogen content level in TiO₂ accelerated the rate of reaction with combining the effect of the specific surface area that generated the electrons and holes during illuminated with light. Therefore, the specific surface area and nitrogen content level demonstrated the important roles in the photocatalytic activity of paraquat under UV and visible light illumination.

Keywords: restraining phase transformation, interstitial site, chemical charge state, photocatalysis, paraquat degradation

Procedia PDF Downloads 156
4205 Impact of Different Modulation Techniques on the Performance of Free-Space Optics

Authors: Naman Singla, Ajay Pal Singh Chauhan

Abstract:

As the demand for providing high bit rate and high bandwidth is increasing at a rapid rate so there is a need to see in this problem and finds a technology that provides high bit rate and also high bandwidth. One possible solution is by use of optical fiber. Optical fiber technology provides high bandwidth in THz. But the disadvantage of optical fiber is of high cost and not used everywhere because it is not possible to reach all the locations on the earth. Also high maintenance required for usage of optical fiber. It puts a lot of cost. Another technology which is almost similar to optical fiber is Free Space Optics (FSO) technology. FSO is the line of sight technology where modulated optical beam whether infrared or visible is used to transfer information from one point to another through the atmosphere which works as a channel. This paper concentrates on analyzing the performance of FSO in terms of bit error rate (BER) and quality factor (Q) using different modulation techniques like non return to zero on off keying (NRZ-OOK), differential phase shift keying (DPSK) and differential quadrature phase shift keying (DQPSK) using OptiSystem software. The findings of this paper show that FSO system based on DQPSK modulation technique performs better.

Keywords: attenuation, bit rate, free space optics, link length

Procedia PDF Downloads 346
4204 Strong Ground Motion Characteristics Revealed by Accelerograms in Ms8.0 Wenchuan Earthquake

Authors: Jie Su, Zhenghua Zhou, Yushi Wang, Yongyi Li

Abstract:

The ground motion characteristics, which are given by the analysis of acceleration records, underlie the formulation and revision of the seismic design code of structural engineering. China Digital Strong Motion Network had recorded a lot of accelerograms of main shock from 478 permanent seismic stations, during the Ms8.0 Wenchuan earthquake on 12th May, 2008. These accelerograms provided a large number of essential data for the analysis of ground motion characteristics of the event. The spatial distribution characteristics, rupture directivity effect, hanging-wall and footwall effect had been studied based on these acceleration records. The results showed that the contours of horizontal peak ground acceleration and peak velocity were approximately parallel to the seismogenic fault which demonstrated that the distribution of the ground motion intensity was obviously controlled by the spatial extension direction of the seismogenic fault. Compared with the peak ground acceleration (PGA) recorded on the sites away from which the front of the fault rupture propagates, the PGA recorded on the sites toward which the front of the fault rupture propagates had larger amplitude and shorter duration, which indicated a significant rupture directivity effect. With the similar fault distance, the PGA of the hanging-wall is apparently greater than that of the foot-wall, while the peak velocity fails to observe this rule. Taking account of the seismic intensity distribution of Wenchuan Ms8.0 earthquake, the shape of strong ground motion contours was significantly affected by the directional effect in the regions with Chinese seismic intensity level VI ~ VIII. However, in the regions whose Chinese seismic intensity level are equal or greater than VIII, the mutual positional relationship between the strong ground motion contours and the surface outcrop trace of the fault was evidently influenced by the hanging-wall and foot-wall effect.

Keywords: hanging-wall and foot-wall effect, peak ground acceleration, rupture directivity effect, strong ground motion

Procedia PDF Downloads 348
4203 The Assessment of Infiltrated Wastewater on the Efficiency of Recovery Reuse and Irrigation Scheme: North Gaza Emergency Sewage Treatment Project as a Case Study

Authors: Yaser S. Kishawi, Sadi R. Ali

Abstract:

Part of Palestine, Gaza Strip (365 km2 and 1.8 million habitants) is considered a semi-arid zone relies solely on the Coastal Aquifer. The coastal aquifer is only source of water with only 5-10% suitable for human use. This barely covers the domestic and agricultural needs of Gaza Strip. Palestinian Water Authority Strategy is finding non-conventional water resource from treated wastewater to cover agricultural requirements and serve the population. A new WWTP project is to replace the old-overloaded Biet Lahia WWTP. The project consists of three parts; phase A (pressure line and infiltration basins-IBs), phase B (a new WWTP) and phase C (Recovery and Reuse Scheme–RRS– to capture the spreading plume). Currently, only phase A is functioning. Nearly 23 Mm3 of partially treated wastewater were infiltrated into the aquifer. Phase B and phase C witnessed many delays and this forced a reassessment of the RRS original design. An Environmental Management Plan was conducted from Jul 2013 to Jun 2014 on 13 existing monitoring wells surrounding the project location. This is to measure the efficiency of the SAT system and the spread of the contamination plume with relation to the efficiency of the proposed RRS. Along with the proposed location of the 27 recovery wells as part of the proposed RRS. The results of monitored wells were assessed compared with PWA baseline data. This was put into a groundwater model to simulate the plume to propose the best suitable solution to the delays. The redesign mainly manipulated the pumping rate of wells, proposed locations and functioning schedules (including wells groupings). The proposed simulations were examined using visual MODFLOW V4.2 to simulate the results. The results of monitored wells were assessed based on the location of the monitoring wells related to the proposed recovery wells locations (200m, 500m, and 750m away from the IBs). Near the 500m line (the first row of proposed recovery wells), an increase of nitrate (from 30 to 70mg/L) compare to a decrease in Chloride (1500 to below 900mg/L) was found during the monitoring period which indicated an expansion of plume to this distance. On this rate with the required time to construct the recovery scheme, keeping the original design the RRS will fail to capture the plume. Based on that many simulations were conducted leading into three main scenarios. The scenarios manipulated the starting dates, the pumping rate and the locations of recovery wells. A simulation of plume expansion and path-lines were extracted from the model monitoring how to prevent the expansion towards the nearby municipal wells. It was concluded that the location is the most important factor in determining the RRS efficiency. Scenario III was adopted and showed effective results even with a reduced pumping rates. This scenario proposed adding two additional recovery wells in a location beyond the 750m line to compensate the delays and effectively capture the plume. A continuous monitoring program for current and future monitoring wells should be in place to support the proposed scenario and ensure maximum protection.

Keywords: soil aquifer treatment, recovery reuse scheme, infiltration basins, North Gaza

Procedia PDF Downloads 203
4202 Synthesizing CuFe2O4 Spinel Powders by a Combustion-Like Process for Solid Oxide Fuel Cell Interconnects Coating

Authors: Seyedeh Narjes Hosseini, Mohammad Hossein Enayati, Fathallah Karimzadeh, Nigel Mark Sammes

Abstract:

The synthesis of CuFe2O4 spinel powders by an optimized combustion-like process followed by calcinations is described herein. The samples were characterized by X-ray diffraction (XRD), differential thermal analysis (TG/DTA), scanning electron microscopy (SEM), dilatometry and 4-probe DC methods. Different glycine to nitrate (G/N) ratios of 1 (fuel-deficient), 1.48 (stoichiometric) and 2 (fuel-rich) were employed. Calcining the as-prepared powders at 800 and 1000°C for 5 hours showed that the 2 ratio results in the formation of desired copper spinel single phase at both calcinations temperatures. For G/N=1, formation of CuFe2O4 takes place in three steps. First, iron and copper nitrates decomposes to iron oxide and pure copper. Then, copper transforms to copper oxide and finally, copper and iron oxides react to each other to form copper ferrite spinel phase. The electrical conductivity and the coefficient of thermal expansion of the sintered pelletized samples were obtained 2 S.cm-1 (800°C) and 11×10-6 °C-1 (25-800°C), respectively.

Keywords: SOFC interconnect coatings, Copper ferrite, Spinels, electrical conductivity, Glycine–nitrate process

Procedia PDF Downloads 477
4201 Effects of Acupuncture Treatment in Gait Parameters in Parkinson's Disease

Authors: Catarina Isabel Ramos Pereira, Jorge Machado, Begona Alonso Criado, Maria João Santos

Abstract:

Introduction: Gait disorders are one of the symptoms that have severe implications on the quality of life in Parkinson's disease (PD). Currently, there is no therapy to reverse or treat this condition. None of the drugs used in conventional medical treatment is entirely efficient, and all have a high incidence of side effects. Acupuncture treatment is believed to improve motor ability, but there is still little scientific evidence in individuals with PD. Aim: The aim of the study is to investigate the acute effect of acupuncture on gait parameters in Parkinson's disease. Methods: This is a randomized and controlled crossover study. The same individual patient was part of both the experimental (real acupuncture) and control group (false acupuncture/sham), and the sequence was randomized. Gait parameters were measured at two different moments, before and after treatment, using four force platforms as well as the collection of 3D markers positions taken by 11 cameras. Images were quantitatively analyzed using Qualisys Track Manager software that let us extract data related to the quality of gait and balance. Seven patients with the diagnosis of Parkinson's disease were included in the study. Results: Statistically significant differences were found in gait speed (p = 0.016), gait cadence (p = 0.006), support base width (p = 0.0001), medio-lateral oscillation (p = 0.017), left-right step length (p = 0.0002), and stride length: right-right (p = 0.0000) and left-left (p = 0.0018), time of left support phase (p = 0.029), right support phase (p = 0.025) and double support phase (p = 0.015), between the initial and final moments for the experimental group. Differences in right-left stride length were found for both groups. Conclusion: Our results show that acupuncture could enhance gait in Parkinson's disease patients. Deep research involving a larger number of volunteers should be accomplished to validate these encouraging findings.

Keywords: acupuncture, traditional Chinese medicine, Parkinson's disease, gait

Procedia PDF Downloads 168
4200 Gas-Liquid Flow Void Fraction Identification Using Slippage Number Froud Mixture Number Relation in Bubbly Flow

Authors: Jaber Masoud Alyami, Abdelsalam H. Alsrkhi

Abstract:

Characterizing and modeling multi-phase flow is a complicated scientific and technical phenomenon represented by a variety of interrelated elements. Yet, the introduction of dimensionless numbers used to grasp gas-liquid flow is a significant step in controlling and improving the multi-phase flow area. SL (Slippage number), for instance is a strong dimensionless number defined as a the ratio of the difference in gravitational forces between slip and no-slip conditions to the inertial force of the gas. The fact that plotting SL versus Frm provides a single acceptable curve for all of the data provided proves that SL may be used to realize the behavior of gas-liquid flow. This paper creates a numerical link between SL and Froud mixing number using vertical gas-liquid flow and then utilizes that relationship to validate its reliability in practice. An improved correlation in drift flux model generated from the experimental data and its rationality has been verified. The method in this paper is to approach for predicting the void fraction in bubbly flow through SL/Frm relation and the limitations of this method, as well as areas for development, are stated.

Keywords: multiphase flow, gas-liquid flow, slippage, void farction

Procedia PDF Downloads 83
4199 Magnetic Solvent Extraction Using Nanoparticles Coated by Oleic Acid

Authors: Natália C. C. Lobato, Ângela M. Ferreira, Marcelo B. Mansur

Abstract:

In solvent extraction operations, large sedimentation areas in the mixer-settler are required when the disengagement of the aqueous and the organic phases is slow and/or difficult. The use of a magnetic organic liquid (also known as ferrofluid), consisting of magnetite nanoparticles coated by oleic acid dispersed in the organic diluent, has proven successful to speed up phase disengagement. The method, however, has never been used industrially; therefore, the aim of this study is to raise its main limitations. Tests were carried out using a ferrofluid containing 30 g/l of magnetite dissolved in commercial aliphatic kerosene Exxsol D80. The efficiency of cobalt extraction ([Co] = 1 g/l) with 10% v/v Cyanex 272 (bis-2,4,4-trimethylpentyl phosphinic acid) at changing pH of the aqueous phase (2 to 7) was found unaffected in the conditions studied. However, the chemical resistance of the ferrofluid in contact with deionized water at changing acidity (from 10-7 to 2 mol/l) revealed that the nanoparticles are not resistant when contacted to aqueous solutions with a pH ≤ 2. Such result represents a serious limitation to the applicability of the method mainly to hydrometallurgical systems because solvent extraction operations are normally done in acid conditions, therefore more effective strategies to coat the particles are required.

Keywords: magnetic solvent extraction, oleic acid, magnetite nanoparticles, cyanex 272

Procedia PDF Downloads 393
4198 Promoted Thermoelectric Properties of Polymers through Controlled Tie-Chain Incorporation

Authors: Wenjin Zhu, Ian E. Jacobs, Henning Sirringhaus

Abstract:

We have demonstrated a model system for the controlled incorporation of tie-chains into semicrystalline conjugated polymers using blends of different molecular weights that leads to a significant increase in electrical conductivity. Through careful assessment of the microstructural evolution upon tie chain incorporation we have demonstrated that no major changes in phase morphology or structural order in the crystalline domains occur and that the observed enhancement in electrical conductivity can only be explained consistently by tie chains facilitating the transport across grain boundaries between the crystalline domains. Here we studied the thermoelectric properties of aligned, ion exchange-doped ribbon phase PBTTT with blends of different molecular weight components. We demonstrate that in blended films higher electrical conductivities (up to 4810.1 S/cm), Seebeck coefficients and thermoelectric power factors of up to 172.6 μW m-1 K-2 can be achieved than in films with single component molecular weights. We investigate the underpinning thermoelectric transport physics, including structural and spectroscopic characterization, to better understand how controlled tie chain incorporation can be used to enhance the thermoelectric performance of aligned conjugated polymers.

Keywords: organic electronics, thermoelectrics, conjugated polymers, tie chain

Procedia PDF Downloads 58
4197 Analytical and Numerical Modeling of Strongly Rotating Rarefied Gas Flows

Authors: S. Pradhan, V. Kumaran

Abstract:

Centrifugal gas separation processes effect separation by utilizing the difference in the mole fraction in a high speed rotating cylinder caused by the difference in molecular mass, and consequently the centrifugal force density. These have been widely used in isotope separation because chemical separation methods cannot be used to separate isotopes of the same chemical species. More recently, centrifugal separation has also been explored for the separation of gases such as carbon dioxide and methane. The efficiency of separation is critically dependent on the secondary flow generated due to temperature gradients at the cylinder wall or due to inserts, and it is important to formulate accurate models for this secondary flow. The widely used Onsager model for secondary flow is restricted to very long cylinders where the length is large compared to the diameter, the limit of high stratification parameter, where the gas is restricted to a thin layer near the wall of the cylinder, and it assumes that there is no mass difference in the two species while calculating the secondary flow. There are two objectives of the present analysis of the rarefied gas flow in a rotating cylinder. The first is to remove the restriction of high stratification parameter, and to generalize the solutions to low rotation speeds where the stratification parameter may be O (1), and to apply for dissimilar gases considering the difference in molecular mass of the two species. Secondly, we would like to compare the predictions with molecular simulations based on the direct simulation Monte Carlo (DSMC) method for rarefied gas flows, in order to quantify the errors resulting from the approximations at different aspect ratios, Reynolds number and stratification parameter. In this study, we have obtained analytical and numerical solutions for the secondary flows generated at the cylinder curved surface and at the end-caps due to linear wall temperature gradient and external gas inflow/outflow at the axis of the cylinder. The effect of sources of mass, momentum and energy within the flow domain are also analyzed. The results of the analytical solutions are compared with the results of DSMC simulations for three types of forcing, a wall temperature gradient, inflow/outflow of gas along the axis, and mass/momentum input due to inserts within the flow. The comparison reveals that the boundary conditions in the simulations and analysis have to be matched with care. The commonly used diffuse reflection boundary conditions at solid walls in DSMC simulations result in a non-zero slip velocity as well as a temperature slip (gas temperature at the wall is different from wall temperature). These have to be incorporated in the analysis in order to make quantitative predictions. In the case of mass/momentum/energy sources within the flow, it is necessary to ensure that the homogeneous boundary conditions are accurately satisfied in the simulations. When these precautions are taken, there is excellent agreement between analysis and simulations, to within 10 %, even when the stratification parameter is as low as 0.707, the Reynolds number is as low as 100 and the aspect ratio (length/diameter) of the cylinder is as low as 2, and the secondary flow velocity is as high as 0.2 times the maximum base flow velocity.

Keywords: rotating flows, generalized onsager and carrier-Maslen model, DSMC simulations, rarefied gas flow

Procedia PDF Downloads 396
4196 Safeners, Tools for Artificial Manipulation of Herbicide Selectivity: A Zea mays Case Study

Authors: Sara Franco Ortega, Alina Goldberg Cavalleri, Nawaporn Onkokesung, Richard Dale, Melissa Brazier-Hicks, Robert Edwards

Abstract:

Safeners are agrochemicals that enhance the selective chemical control of wild grasses by increasing the ability of the crop to metabolise the herbicide. Although these compounds are widely used, their mode of action is not well understood. It is known that safeners enhance the metabolism of herbicides, by up-regulating the associated detoxification system we have termed the xenome. The xenome proteins involved in herbicide metabolism have been previously divided into four different phases, with cytochrome P450s (CYPs) playing a key role in phase I metabolism by catalysing hydroxylation and dealkylation reactions. Subsequently, glutathione S-transferases (GSTs) and UDP-glucosyltransferases lead to the formation of Phase II conjugates prior to their transport into the vacuole by ABCs transporters (Phase III). Maize (Zea mays), was been treated with different safeners to explore the selective induction of xenome proteins, with a special interest in the regulation of the CYP superfamily. Transcriptome analysis enabled the identification of key safener-inducible CYPs that were then functionally assessed to determine their role in herbicide detoxification. In order to do that, CYP’s were codon optimised, synthesised and inserted into the yeast expression vector pYES3 using in-fusion cloning. CYP’s expressed as recombinant proteins in a strain of yeast engineered to contain the P450 co-enzyme (cytochrome P450 reductase) from Arabidopsis. Microsomes were extracted and treated with herbicides of different chemical classes in the presence of the cofactor NADPH. The reaction products were then analysed by LCMS to identify any herbicide metabolites. The results of these studies will be presented with the key CYPs identified in maize used as the starting point to find orthologs in other crops and weeds to better understand their roles in herbicide selectivity and safening.

Keywords: CYPs, herbicide detoxification, LCMS, RNA-Seq, safeners

Procedia PDF Downloads 135
4195 Computing Continuous Skyline Queries without Discriminating between Static and Dynamic Attributes

Authors: Ibrahim Gomaa, Hoda M. O. Mokhtar

Abstract:

Although most of the existing skyline queries algorithms focused basically on querying static points through static databases; with the expanding number of sensors, wireless communications and mobile applications, the demand for continuous skyline queries has increased. Unlike traditional skyline queries which only consider static attributes, continuous skyline queries include dynamic attributes, as well as the static ones. However, as skyline queries computation is based on checking the domination of skyline points over all dimensions, considering both the static and dynamic attributes without separation is required. In this paper, we present an efficient algorithm for computing continuous skyline queries without discriminating between static and dynamic attributes. Our algorithm in brief proceeds as follows: First, it excludes the points which will not be in the initial skyline result; this pruning phase reduces the required number of comparisons. Second, the association between the spatial positions of data points is examined; this phase gives an idea of where changes in the result might occur and consequently enables us to efficiently update the skyline result (continuous update) rather than computing the skyline from scratch. Finally, experimental evaluation is provided which demonstrates the accuracy, performance and efficiency of our algorithm over other existing approaches.

Keywords: continuous query processing, dynamic database, moving object, skyline queries

Procedia PDF Downloads 208
4194 Ethyl Methane Sulfonate-Induced Dunaliella salina KU11 Mutants Affected for Growth Rate, Cell Accumulation and Biomass

Authors: Vongsathorn Ngampuak, Yutachai Chookaew, Wipawee Dejtisakdi

Abstract:

Dunaliella salina has great potential as a system for generating commercially valuable products, including beta-carotene, pharmaceuticals, and biofuels. Our goal is to improve this potential by enhancing growth rate and other properties of D. salina under optimal growth conditions. We used ethyl methane sulfonate (EMS) to generate random mutants in D. salina KU11, a strain classified in Thailand. In a preliminary experiment, we first treated D. salina cells with 0%, 0.8%, 1.0%, 1.2%, 1.44% and 1.66% EMS to generate a killing curve. After that, we randomly picked 30 candidates from approximately 300 isolated survivor colonies from the 1.44% EMS treatment (which permitted 30% survival) as an initial test of the mutant screen. Among the 30 survivor lines, we found that 2 strains (mutant #17 and #24) had significantly improved growth rates and cell number accumulation at stationary phase approximately up to 1.8 and 1.45 fold, respectively, 2 strains (mutant #6 and #23) had significantly decreased growth rates and cell number accumulation at stationary phase approximately down to 1.4 and 1.35 fold, respectively, while 26 of 30 lines had similar growth rates compared with the wild type control. We also analyzed cell size for each strain and found there was no significant difference comparing all mutants with the wild type. In addition, mutant #24 had shown an increase of biomass accumulation approximately 1.65 fold compared with the wild type strain on day 5 that was entering early stationary phase. From these preliminary results, it could be feasible to identify D. salina mutants with significant improved growth rate, cell accumulation and biomass production compared to the wild type for the further study; this makes it possible to improve this microorganism as a platform for biotechnology application.

Keywords: Dunaliella salina, ethyl methyl sulfonate, growth rate, biomass

Procedia PDF Downloads 239
4193 2,7-diazaindole as a Potential Photophysical Probe for Excited State Deactivation Processes

Authors: Simran Baweja, Bhavika Kalal, Surajit Maity

Abstract:

Photoinduced tautomerization reactions have been the centre of attention among scientific community over past several decades because of their significance in various biological systems. 7-azaindole (7AI) is considered as a model system for DNA base pairing and to understand the role of such tautomerization reactions in mutations. To the best of our knowledge, extensive studies have been carried on 7-azaindole and its solvent clusters exhibiting proton/ hydrogen transfer in both solution as well as gas phase. Derivatives of above molecule, like 2,7- and 2,6-diazaindoles are proposed to have even better photophysical properties due to the presence of -aza group on the 2nd position. However, there are a few studies in the solution phase which suggest the relevance of these molecules, but there are no experimental studies reported in the gas phase yet. In our current investigation, we present the first gas phase spectroscopic data of 2,7-diazaindole (2,7-DAI) and its solvent cluster (2,7-DAI-H2O). In this, we have employed state-of-the-art laser spectroscopic methods such as fluorescence excitation (LIF), dispersed fluorescence (DF), resonant two-photon ionization time of flight mass spectrometry (2C-R2PI), photoionization efficiency spectroscopy (PIE), IR-UV double resonance spectroscopy i.e. fluorescence-dip infrared spectroscopy (FDIR) and resonant ion-dip infrared spectroscopy (IDIR) to understand the electronic structure of the molecule. The origin band corresponding to S1 ← S0 transition of the bare 2,7-DAI is found to be positioned at 33910 cm-1 whereas the origin band corresponding to S1 ← S0 transition of the 2,7-DAI-H2O is positioned at 33074 cm-1. The red shifted transition in case of solvent cluster suggests the enhanced feasibility of excited state hydrogen/ proton transfer. The ionization potential for the 2,7-DAI molecule is found to be 8.92 eV, which is significantly higher that the previously reported 7AI (8.11 eV) molecule, making it a comparatively complex molecule to study. The ionization potential is reduced by 0.14 eV in case of 2,7-DAI-H2O (8.78 eV) cluster compared to that of 2,7-DAI. Moreover, on comparison with the available literature values of 7AI, we found the origin band of 2,7-DAI and 2,7-DAI-H2O to be red shifted by -729 and -280 cm-1 respectively. The ground and excited state N-H stretching frequencies of the 27DAI molecule were determined using fluorescence-dip infrared spectra (FDIR) and resonant ion dip infrared spectroscopy (IDIR), obtained at 3523 and 3467 cm-1, respectively. The lower value of vNH in the electronic excited state of 27DAI implies the higher acidity of the group compared to the ground state. Moreover, we have done extensive computational analysis, which suggests that the energy barrier in excited state reduces significantly as we increase the number of catalytic solvent molecules (S= H2O, NH3) as well as the polarity of solvent molecules. We found that the ammonia molecule is a better candidate for hydrogen transfer compared to water because of its higher gas-phase basicity. Further studies are underway to understand the excited state dynamics and photochemistry of such N-rich chromophores.

Keywords: photoinduced tautomerization reactions, gas phse spectroscopy, ), IR-UV double resonance spectroscopy, resonant two-photon ionization time of flight mass spectrometry (2C-R2PI)

Procedia PDF Downloads 84
4192 Quantification of Global Cerebrovascular Reactivity in the Principal Feeding Arteries of the Human Brain

Authors: Ravinder Kaur

Abstract:

Introduction Global cerebrovascular reactivity (CVR) mapping is a promising clinical assessment for stress-testing the brain using physiological challenges, such as CO₂, to elicit changes in perfusion. It enables real-time assessment of cerebrovascular integrity and health. Conventional imaging approaches solely use steady-state parameters, like cerebral blood flow (CBF), to evaluate the integrity of the resting parenchyma and can erroneously show a healthy brain at rest, despite the underlying pathogenesis in the presence of cerebrovascular disease. Conversely, coupling CO₂ inhalation with phase-contrast MRI neuroimaging interrogates the capacity of the vasculature to respond to changes under stress. It shows promise in providing prognostic value as a novel health marker to measure neurovascular function in disease and to detect early brain vasculature dysfunction. Objective This exploratory study was established to:(a) quantify the CBF response to CO₂ in hypocapnia and hypercapnia,(b) evaluate disparities in CVR between internal carotid (ICA) and vertebral artery (VA), and (c) assess sex-specific variation in CVR. Methodology Phase-contrast MRI was employed to measure the cerebrovascular reactivity to CO₂ (±10 mmHg). The respiratory interventions were presented using the prospectively end-tidal targeting RespirActTM Gen3 system. Post-processing and statistical analysis were conducted. Results In 9 young, healthy subjects, the CBF increased from hypocapnia to hypercapnia in all vessels (4.21±0.76 to 7.20±1.83 mL/sec in ICA, 1.36±0.55 to 2.33±1.31 mL/sec in VA, p < 0.05). The CVR was quantitatively higher in ICA than VA (slope of linear regression: 0.23 vs. 0.07 mL/sec/mmHg, p < 0.05). No statistically significant effect was observed in CVR between male and female (0.25 vs 0.20 mL/sec/mmHg in ICA, 0.09 vs 0.11 mL/sec/mmHg in VA, p > 0.05). Conclusions The principal finding in this investigation validated the modulation of CBF by CO₂. Moreover, it has indicated that regional heterogeneity in hemodynamic response exists in the brain. This study provides scope to standardize the quantification of CVR prior to its clinical translation.

Keywords: cerebrovascular disease, neuroimaging, phase contrast MRI, cerebrovascular reactivity, carbon dioxide

Procedia PDF Downloads 145