Search results for: ME coupling coefficient
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2825

Search results for: ME coupling coefficient

2795 A Photoredox (C)sp³-(C)sp² Coupling Method Comparison Study

Authors: Shasline Gedeon, Tiffany W. Ardley, Ying Wang, Nathan J. Gesmundo, Katarina A. Sarris, Ana L. Aguirre

Abstract:

Drug discovery and delivery involve drug targeting, an approach that helps find a drug against a chosen target through high throughput screening and other methods by way of identifying the physical properties of the potential lead compound. Physical properties of potential drug candidates have been an imperative focus since the unveiling of Lipinski's Rule of 5 for oral drugs. Throughout a compound's journey from discovery, clinical phase trials, then becoming a classified drug on the market, the desirable properties are optimized while minimizing/eliminating toxicity and undesirable properties. In the pharmaceutical industry, the ability to generate molecules in parallel with maximum efficiency is a substantial factor achieved through sp²-sp² carbon coupling reactions, e.g., Suzuki Coupling reactions. These reaction types allow for the increase of aromatic fragments onto a compound. More recent literature has found benefits to decreasing aromaticity, calling for more sp³-sp² carbon coupling reactions instead. The objective of this project is to provide a comparison between various sp³-sp² carbon coupling methods and reaction conditions, collecting data on production of the desired product. There were four different coupling methods being tested amongst three cores and 4-5 installation groups per method; each method ran under three distinct reaction conditions. The tested methods include the Photoredox Decarboxylative Coupling, the Photoredox Potassium Alkyl Trifluoroborate (BF3K) Coupling, the Photoredox Cross-Electrophile (PCE) Coupling, and the Weix Cross-Electrophile (WCE) Coupling. The results concluded that the Decarboxylative method was very difficult in yielding product despite the several literature conditions chosen. The BF3K and PCE methods produced competitive results. Amongst the two Cross-Electrophile coupling methods, the Photoredox method surpassed the Weix method on numerous accounts. The results will be used to build future libraries.

Keywords: drug discovery, high throughput chemistry, photoredox chemistry, sp³-sp² carbon coupling methods

Procedia PDF Downloads 108
2794 The Study on Blast Effect of Polymer Gel by Trazul Lead Block Test and Concrete Block Test

Authors: Young-Hun Ko, Seung-Jun Kim, Khaqan Baluch, Hyung- Sik Yang

Abstract:

In this study, the polymer gel was used as coupling material in a blasting hole and its comparison was made with other coupling materials like sand, water, and air. Trazul lead block test and AUTODYN numerical analysis were conducted to analyze the effects of the coupling materials on the intensity of the explosion, as well as the verification tests were conducted by using concrete block test. The emulsion explosives were used in decoupling conditions, sand, water, and polymer gel were used as the coupling materials. The lead block test and the numerical analysis showed that the expansion of the blast hole in the lead block was similar to that of the water and gelatin and followed by sand and air conditions. The validation of concrete block test result showed the similar result as Trazul lead block test and the explosion strength was measured at 0.8 for polymer gel, 0.7 for sand, and 0.6 for no coupling material, in comparison to the full charge (1.0) case.

Keywords: Trazul lead block test, AUTODYN numerical analysis, coupling material, polymer gel, soil covering concrete block explosion test

Procedia PDF Downloads 261
2793 CFD Prediction of the Round Elbow Fitting Loss Coefficient

Authors: Ana Paula P. dos Santos, Claudia R. Andrade, Edson L. Zaparoli

Abstract:

Pressure loss in ductworks is an important factor to be considered in design of engineering systems such as power-plants, refineries, HVAC systems to reduce energy costs. Ductwork can be composed by straight ducts and different types of fittings (elbows, transitions, converging and diverging tees and wyes). Duct fittings are significant sources of pressure loss in fluid distribution systems. Fitting losses can be even more significant than equipment components such as coils, filters, and dampers. At the present work, a conventional 90o round elbow under turbulent incompressible airflow is studied. Mass, momentum, and k-e turbulence model equations are solved employing the finite volume method. The SIMPLE algorithm is used for the pressure-velocity coupling. In order to validate the numerical tool, the elbow pressure loss coefficient is determined using the same conditions to compare with ASHRAE database. Furthermore, the effect of Reynolds number variation on the elbow pressure loss coefficient is investigated. These results can be useful to perform better preliminary design of air distribution ductworks in air conditioning systems.

Keywords: duct fitting, pressure loss, elbow, thermodynamics

Procedia PDF Downloads 362
2792 A Detailed Computational Investigation into Copper Catalyzed Sonogashira Coupling Reaction

Authors: C. Rajalakshmi, Vibin Ipe Thomas

Abstract:

Sonogashira coupling reactions are widely employed in the synthesis of molecules of biological and pharmaceutical importance. Copper catalyzed Sonogashira coupling reactions are gaining importance owing to the low cost and less toxicity of copper as compared to the palladium catalyst. In the present work, a detailed computational study has been carried out on the Sonogashira coupling reaction between aryl halides and terminal alkynes catalyzed by Copper (I) species with trans-1, 2 Diaminocyclohexane as ligand. All calculations are performed at Density Functional Theory (DFT) level, using the hybrid Becke3LYP functional. Cu and I atoms are described using an effective core potential (LANL2DZ) for the inner electrons and its associated double-ζ basis set for the outer electrons. For all other atoms, 6-311G+* basis set is used. We have identified that the active catalyst species is a neutral 3-coordinate trans-1,2 diaminocyclohexane ligated Cu (I) alkyne complex and found that the oxidative addition and reductive elimination occurs in a single step proceeding through one transition state. This is owing to the ease of reductive elimination involving coupling of Csp2-Csp carbon atoms and the less stable Cu (III) intermediate. This shows the mechanism of copper catalyzed Sonogashira coupling reactions are quite different from those catalyzed by palladium. To gain further insights into the mechanism, substrates containing various functional groups are considered in our study to traverse their effect on the feasibility of the reaction. We have also explored the effect of ligand on the catalytic cycle of the coupling reaction. The theoretical results obtained are in good agreement with the experimental observation. This shows the relevance of a combined theoretical and experimental approach for rationally improving the cross-coupling reaction mechanisms.

Keywords: copper catalysed, density functional theory, reaction mechanism, Sonogashira coupling

Procedia PDF Downloads 89
2791 An Efficient Green Catalyst for Chemo-Selectiveoxidative Coupling of Thiols

Authors: E. Kolvari, N. Koukabi, A. Sabet, A. Fakhraee, M. Ramezanpour

Abstract:

A green and efficient method for oxidation of thiols to the corresponding disulfides is reported using free nano-iron oxide in the H2O2 and methanol as solvent at room tempereture. H2O2 is anoxidant for S-S coupling variety aromatic of thiols to corresponding disulfide in the presence of supported iron oxide as recoverable catalyst. This reaction is clean, fast, mild and easy work-up with no side reaction.

Keywords: thiol, disulfide, free nano-iron oxide, H2O2, oxidation, coupling

Procedia PDF Downloads 313
2790 Spin-Flip and Magnetoelectric Coupling in Acentric and Non-Polar Pb₂MnO₄

Authors: K. D. Chandrasekhar, H. C. Wu, D. J. Hsieh, B. J. Song, J. -Y. Lin, J. L. Her, L. Z. Deng, M. Gooch, C. W. Chu, H. D. Yang

Abstract:

Stress-mediated coupling of electrical and magnetic dipoles in a single phase multiferroic is rare. Pb₂MnO₄ belong to multi-piezo crystal class with the space group P⁻42₁

Keywords: multiferroic, multipiezo, Pb₂MnO₄, spin-flip

Procedia PDF Downloads 207
2789 On Coverage Probability of Confidence Intervals for the Normal Mean with Known Coefficient of Variation

Authors: Suparat Niwitpong, Sa-aat Niwitpong

Abstract:

Statistical inference of normal mean with known coefficient of variation has been investigated recently. This phenomenon occurs normally in environment and agriculture experiments when the scientist knows the coefficient of variation of their experiments. In this paper, we constructed new confidence intervals for the normal population mean with known coefficient of variation. We also derived analytic expressions for the coverage probability of each confidence interval. To confirm our theoretical results, Monte Carlo simulation will be used to assess the performance of these intervals based on their coverage probabilities.

Keywords: confidence interval, coverage probability, expected length, known coefficient of variation

Procedia PDF Downloads 357
2788 Theoretical Insight into Ligand Free Manganese Catalyzed C-O Coupling Protocol for the Synthesis of Biaryl Ethers

Authors: Carolin Anna Joy, Rohith K. R, Rehin Sulay, Parvathy Santhoshkumar, G.Anil Kumar, Vibin Ipe Thomas

Abstract:

Ullmann coupling reactions are gaining great relevance owing to their contribution in the synthesis of biologically and pharmaceutically important compounds. Palladium and many other heavy metals have proven their excellent ability in coupling reaction, but the toxicity matters. The first-row transition metal also possess toxicity, except in the case of iron and manganese. The suitability of manganese as a catalyst is achieving great interest in oxidation, reduction, C-H activation, coupling reaction etc. In this presentation, we discuss the thermo chemistry of ligand free manganese catalyzed C-O coupling reaction between phenol and aryl halide for the synthesis of biaryl ethers using Density functional theory techniques. The mechanism involves an oxidative addition-reductive elimination step. The transition state for both the step had been studied and confirmed using Intrinsic Reaction Coordinate (IRC) calculation. The barrier height for the reaction had also been calculated from the rate determining step. The possibility of other mechanistic way had also been studied. To achieve further insight into the mechanism, substrate having various functional groups is considered in our study to direct their effect on the feasibility of the reaction.

Keywords: Density functional theory, Molecular Modeling, ligand free, biaryl ethers, Ullmann coupling

Procedia PDF Downloads 116
2787 Study of the Electromagnetic Resonances of a Cavity with an Aperture Using Numerical Method and Equivalent Circuit Method

Authors: Ming-Chu Yin, Ping-An Du

Abstract:

The shielding ability of a shielding cavity is affected greatly by its resonances, which include resonance modes and frequencies. The equivalent circuit method and numerical method of transmission line matrix (TLM) are used to analyze the effect of aperture-cavity coupling on electromagnetic resonances of a cavity with an aperture in this paper. Both theoretical and numerical results show that the resonance modes of a shielding cavity with an aperture can be considered as the combination of cavity and aperture inherent resonance modes with resonance frequencies shifting, and the reason of this shift is aperture-cavity coupling. Because aperture sizes are important parameters to aperture-cavity coupling, variation rules of electromagnetic resonances of a shielding cavity with its aperture sizes are given, which will be useful for the design of shielding cavities.

Keywords: aperture-cavity coupling, equivalent circuit method, resonances, shielding equipment

Procedia PDF Downloads 412
2786 Experimental Investigation on the Anchor Behavior of Planar Clamping Anchor for Carbon Fiber-Reinforced Polymer Plate

Authors: Yongyu Duo, Xiaogang Liu, Qingrui Yue

Abstract:

The anchor plays a critical role in the utilization of the tensile strength of carbon fiber-reinforced polymer (CFRP) plate when it is applied for the prestressed retrofitted and cable structures. In this paper, the anchor behavior of planar clamping anchor (PCA) under different interface treatment forms and normal pressures was investigated by the uniaxial static tensile test. Two interface treatment forms were adopted, including pure friction and the coupling action of friction and bonding. The results indicated that the load-bearing capacity of PCA could be obviously improved by the coupling action of friction and bonding compared with the action of pure friction. Under the normal pressure of 11 MPa, 22 MPa, and 33 MPa, the load-bearing capacity of PCA was enhanced by 164.61%, 68.40%, and 52.78%, respectively, and the tensile strength of the CFRP plate was fully exploited when the normal pressure reached 44 MPa. In addition, the experimental coefficient of static friction between the galling CFRP plate and a sandblasted steel plate was in the range of 0.28-0.30, corresponding to various normal pressure. Moreover, the failure mode was determined by the interface treatment form and normal pressure. The research in this paper has important guiding significance to optimize the design of the mechanical clamping anchor, contributing to promoting the application of CFRP plate in reinforcement and cable structure.

Keywords: PCA, CFRP plate, interface treatment form, normal pressure, friction, coupling action

Procedia PDF Downloads 47
2785 Investigation of the Turbulent Cavitating Flows from the Viewpoint of the Lift Coefficient

Authors: Ping-Ben Liu, Chien-Chou Tseng

Abstract:

The objective of this study is to investigate the relationship between the lift coefficient and dynamic behaviors of cavitating flow around a two-dimensional Clark Y hydrofoil at 8° angle of attack, cavitation number of 0.8, and Reynolds number of 7.10⁵. The flow field is investigated numerically by using a vapor transfer equation and a modified turbulence model which applies the filter and local density correction. The results including time-averaged lift/drag coefficient and shedding frequency agree well with experimental observations, which confirmed the reliability of this simulation. According to the variation of lift coefficient, the cycle which consists of growth and shedding of cavitation can be divided into three stages, and the lift coefficient at each stage behaves similarly due to the formation and shedding of the cavity around the trailing edge.

Keywords: Computational Fluid Dynamics, cavitation, turbulence, lift coefficient

Procedia PDF Downloads 317
2784 Coupling Time-Domain Analysis for Dynamic Positioning during S-Lay Installation

Authors: Sun Li-Ping, Zhu Jian-Xun, Liu Sheng-Nan

Abstract:

In order to study the performance of dynamic positioning system during S-lay operations, dynamic positioning system is simulated with the hull-stinger-pipe coupling effect. The roller of stinger is simulated by the generalized elastic contact theory. The stinger is composed of Morrison members. Force on pipe is calculated by lumped mass method. Time domain of fully coupled barge model is analyzed combining with PID controller, Kalman filter and allocation of thrust using Sequential Quadratic Programming method. It is also analyzed that the effect of hull wave frequency motion on pipe-stinger coupling force and dynamic positioning system. Besides, it is studied that how S-lay operations affect the dynamic positioning accuracy. The simulation results are proved to be available by checking pipe stress with API criterion. The effect of heave and yaw motion cannot be ignored on hull-stinger-pipe coupling force and dynamic positioning system. It is important to decrease the barge’s pitch motion and lay pipe in head sea in order to improve safety of the S-lay installation and dynamic positioning.

Keywords: S-lay operation, dynamic positioning, coupling motion, time domain, allocation of thrust

Procedia PDF Downloads 429
2783 Evaluating the Permeability Coefficient of Sandy Soil for Grouting to Reinforce Soft Soil in Binh Duong, Vietnam

Authors: Trung Le Thanh

Abstract:

Soil permeability coefficient is an important parameter that affects the effectiveness of mortar restoration work to reinforce soft soil. Currently, there are many methods to determine the permeability coefficient of ground through laboratory and field experiments. However, the value of the permeability coefficient is determined very differently depending on the geology in general and the sand base in particular. This article presents how to determine the permeability coefficient of sand foundation in Phu My Ward, Tan Uyen City, Binh Duong. The author analyzes and evaluates the advantages and disadvantages of assessment methods based on the data and results obtained, and on that basis recommends a suitable method for determining the permeability coefficient for sand foundations. The research results serve the evaluation of the effectiveness of grouting to reinforce soft ground in general, and grouting of bored piles in particular.

Keywords: permeability coefficient, soft soil, shaft grouting, post grouting, jet grouting

Procedia PDF Downloads 41
2782 Water-Energy-Food Nexus Model for India: A Way Forward for Achieving Sustainable Development Goals

Authors: Rajendra Singh, Krishna Mondal, Chandranath Chatterjee

Abstract:

The water, energy, and food (WEF) nexus describes the interconnectedness of these three essential elements of human life. Each of these three sectors depends on the others. India's expanding population, urbanization, and industrialization make WEF nexus management difficult. Coupling and coordination degrees can be used as indicators of a complex system's level of sustainable development. Thus, coupling and coordination of WEF sectors in India are essential for achieving Sustainable Development Goals (SDGs) 2 (zero hunger), 6 (clean water and sanitation), and 7 (affordable and clean energy). This study used a newly developed WEF nexus model and the concept of coupling coordination degree model to examine the coupling and coordination degrees of the WEF nexus at India's sub-national scale (States/Union Territories (UTs)) for the years 2011 and 2021. Results indicate that the WEF nexus coupling degree was reasonably stable among the Indian States/UTs in both years, with all having a coupling degree above 0.90, indicating high-quality coupling. However, the degree of coordination varied spatially and temporally from ‘primary development’ to ‘quality development’ for the Indian States/UTs. In 2021, it went from 53% to 14% intermediate development and 44% to 83% good development compared to 2011. Most Indian States/UTs developed SDG2 more than SDG6 and SDG7. This study also suggests that most States/UTs must implement WEF-related policies and programmes effectively to achieve quality coordinated WEF nexus development. This study may help administrators and policymakers identify States/UTs that need more attention to implement existing or new policies for achieving SDGs 2, 6, and 7.

Keywords: WEF nexus model, Pardee-RAND WEF nexus, sustainable development, policy

Procedia PDF Downloads 35
2781 Cellulose Supported Heterogeneous Pd(II) Catalyst for Synthesis of Biaryls

Authors: Talat Baran

Abstract:

The Suzuki C(sp2)-C(sp2) coupling reaction is considered to be one of the best ways for the synthesis of biaryl compounds. There are many studies reporting the catalytic performance of palladium catalyst in Suzuki coupling reactions. Natural biopolymer (such as zeolite, carbon, silica, and chitosan) supporting catalysts have been lately attracted interest because of their low-cost, nontoxicity, and eco-friendliness. One of the most important natural biopolymer is cellulose, which is widely considered as an eco-friendly biopolymer due to its biodegradable, non-toxic and renewable nature. In this study, (1) cellulose supported Pd(II) catalyst was synthesized (2) its chemical structure was characterized by FT-IR, SEM/EDAX, XRD, TG-DTG, ICP-OES techniques (3) to investigate the performance of the catalyst in Suzuki coupling reactions by using microwave irradiation technique (4) reusability of the catalyst was done under optimum conditions. This cellulose supported Pd(II) catalyst exhibited high selectivity and efficiency in Suzuki coupling reactions under mild conditions (50°C). High TON and TOF values were recorded for the catalyst. Also, the reusability tests showed the catalysts could be used for several times in consequence of reusability tests.

Keywords: palladium, cellulose, Schiff base, reusability

Procedia PDF Downloads 215
2780 Global Optimization Techniques for Optimal Placement of HF Antennas on a Shipboard

Authors: Mustafa Ural, Can Bayseferogulari

Abstract:

In this work, radio frequency (RF) coupling between two HF antennas on a shipboard platform is minimized by determining an optimal antenna placement. Unlike the other works, the coupling is minimized not only at single frequency but over the whole frequency band of operation. Similarly, GAO and PSO, are used in order to determine optimal antenna placement. Throughout this work, outputs of two optimization techniques are compared with each other in terms of antenna placements and coupling results. At the end of the work, far-field radiation pattern performances of the antennas at their optimal places are analyzed in terms of directivity and coverage in order to see that.

Keywords: electromagnetic compatibility, antenna placement, optimization, genetic algorithm optimization, particle swarm optimization

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2779 S-S Coupling of Thiols to Disulfides Using Ionic Liquid in the Presence of Free Nano Fe2O3 Catalyst

Authors: Askar Sabet, Abdolrasoul Fakhraee, Motahahre Ramezanpour, Noorallah Alipour

Abstract:

An efficient and green method for oxidation of thiols to the corresponding disulfides is reported using ionic liquid [HSO3N(C2H4OSO3H)3] in the presence of free nano-Fe2O3 at 60°C. Ionic liquid is selective oxidant for S-S Coupling variety aliphatic and aromatic of thiols to corresponding disulfide in the presence of free nano-Fe2O3 as recoverable catalyst. Reaction has been performed in methanol as an inexpensive solvent. This reaction is clean and easy work-up with no side reaction.

Keywords: thiol, disulfide, ionic liquid, free nano-Fe2O3, oxidation, coupling

Procedia PDF Downloads 258
2778 Frontal Oscillatory Activity and Phase–Amplitude Coupling during Chan Meditation

Authors: Arthur C. Tsai, Chii-Shyang Kuo, Vincent S. C. Chien, Michelle Liou, Philip E. Cheng

Abstract:

Meditation enhances mental abilities and it is an antidote to anxiety. However, very little is known about brain mechanisms and cortico-subcortical interactions underlying meditation-induced anxiety relief. In this study, the changes of phase-amplitude coupling (PAC) in which the amplitude of the beta frequency band were modulated in phase with delta rhythm were investigated after eight-week of meditation training. The study hypothesized that through a concentrate but relaxed mental training the delta-beta coupling in the frontal regions is attenuated. The delta-beta coupling analysis was applied to within and between maximally-independent component sources returned from the extended infomax independent components analysis (ICA) algorithm on the continuous EEG data during mediation. A unique meditative concentration task through relaxing body and mind was used with a constant level of moderate mental effort, so as to approach an ‘emptiness’ meditative state. A pre-test/post-test control group design was used in this study. To evaluate cross-frequency phase-amplitude coupling of component sources, the modulation index (MI) with statistics to calculate circular phase statistics were estimated. Our findings reveal that a significant delta-beta decoupling was observed in a set of frontal regions bilaterally. In addition, beta frequency band of prefrontal component were amplitude modulated in phase with the delta rhythm of medial frontal component.

Keywords: phase-amplitude coupling, ICA, meditation, EEG

Procedia PDF Downloads 395
2777 UEMG-FHR Coupling Analysis in Pregnancies Complicated by Pre-Eclampsia and Small for Gestational Age

Authors: Kun Chen, Yan Wang, Yangyu Zhao, Shufang Li, Lian Chen, Xiaoyue Guo, Jue Zhang, Jing Fang

Abstract:

The coupling strength between uterine electromyography (UEMG) and Fetal heart rate (FHR) signals during peripartum reflects the fetal biophysical activities. Therefore, UEMG-FHR coupling characterization is instructive in assessing placenta function. This study introduced a physiological marker named elevated frequency of UEMG-FHR coupling (E-UFC) and explored its predictive value for pregnancies complicated by pre-eclampsia and small for gestational age (SGA). Placental insufficiency patients (n=12) and healthy volunteers (n=24) were recruited and participated. UEMG and FHR were recorded non-invasively by a trans-abdominal device in women at term with singleton pregnancy (32-37 weeks) from 10:00 pm to 8:00 am. The product of the wavelet coherence and the wavelet cross-spectral power between UEMG and FHR was used to weight these two effects in order to quantify the degree of the UEMG-FHR coupling. E-UFC was exacted from the resultant spectrogram by calculating the mean value of the high-coherence (r > 0.5) frequency band. Results showed the high-coherence between UEMG and FHR was observed in the frequency band (1/512-1/16Hz). In addition, E-UFC in placental insufficiency patients was weaker compared to healthy controls (p < 0.001) at group level. These findings suggested the proposed approach could be used to quantitatively characterize the fetal biophysical activities, which is beneficial for early detection of placental insufficiency and reduces the occurrence of adverse pregnancy.

Keywords: uterine electromyography, fetal heart rate, coupling analysis, wavelet analysis

Procedia PDF Downloads 159
2776 Supplemental VisCo-friction Damping for Dynamical Structural Systems

Authors: Sharad Singh, Ajay Kumar Sinha

Abstract:

Coupled dampers like viscoelastic-frictional dampers for supplemental damping are a newer technique. In this paper, innovative Visco-frictional damping models have been presented and investigated. This paper attempts to couple frictional and fluid viscous dampers into a single unit of supplemental dampers. Visco-frictional damping model is developed by series and parallel coupling of frictional and fluid viscous dampers using Maxwell and Kelvin-Voigat models. The time analysis has been performed using numerical simulation on an SDOF system with varying fundamental periods, subject to a set of 12 ground motions. The simulation was performed using the direct time integration method. MATLAB programming tool was used to carry out the numerical simulation. The response behavior has been analyzed for the varying time period and added damping. This paper compares the response reduction behavior of the two modes of coupling. This paper highlights the performance efficiency of the suggested damping models. It also presents a mathematical modeling approach to visco-frictional dampers and simultaneously suggests the suitable mode of coupling between the two sub-units.

Keywords: hysteretic damping, Kelvin model, Maxwell model, parallel coupling, series coupling, viscous damping

Procedia PDF Downloads 128
2775 C₅₉Pd: A Heterogeneous Catalytic Material for Heck Coupling Reaction

Authors: Manjusha C. Padole, Parag A. Deshpande

Abstract:

Density functional theory calculations were carried out for identification of an active heterogeneous catalyst to carry out Heck coupling reaction which is of pharmaceutical importance. One of the carbonaceous nanomaterials, heterofullerene, was designed for the reaction. Stability and reactivity of the proposed heterofullerenes (C59M, M = Pd/Ni) were established with insights into the metal-carbon bond, electron affinity and chemical potential. Adsorbent potentials of both the heterofullerenes were examined from the adsorption study of four halobenzenes (C6H5F, C6H5Cl, C6H5Br and C6H5I). Oxidative addition activities of all four halobenzenes were investigated by developing free energy landscapes over both the heterofullerenes for rate determining step (oxidative addition). C6H5I showed a good catalytic activity for the rate determining step. Thus, C6H5I was proposed as a suitable halobenzene and complete free energy landscapes for Heck coupling reaction were developed over C59Pd and C59Ni. Smaller activation barriers observed over C59Pd in comparison with C59Ni put us in a position to propose C59Pd to be an efficient heterofullerene for carrying Heck coupling reaction.

Keywords: metal-substituted fullerene, density functional theory, electron affinity, oxidative addition, Heck coupling reaction

Procedia PDF Downloads 191
2774 Vertically Coupled III-V/Silicon Single Mode Laser with a Hybrid Grating Structure

Authors: Zekun Lin, Xun Li

Abstract:

Silicon photonics has gained much interest and extensive research for a promising aspect for fabricating compact, high-speed and low-cost photonic devices compatible with complementary metal-oxide-semiconductor (CMOS) process. Despite the remarkable progress made on the development of silicon photonics, high-performance, cost-effective, and reliable silicon laser sources are still missing. In this work, we present a 1550 nm III-V/silicon laser design with stable single-mode lasing property and robust and high-efficiency vertical coupling. The InP cavity consists of two uniform Bragg grating sections at sides for mode selection and feedback, as well as a central second-order grating for surface emission. A grating coupler is etched on the SOI waveguide by which the light coupling between the parallel III-V and SOI is reached vertically rather than by evanescent wave coupling. Laser characteristic is simulated and optimized by the traveling-wave model (TWM) and a Green’s function analysis as well as a 2D finite difference time domain (FDTD) method for the coupling process. The simulation results show that single-mode lasing with SMSR better than 48dB is achievable, and the threshold current is less than 15mA with a slope efficiency of around 0.13W/A. The coupling efficiency is larger than 42% and possesses a high tolerance with less than 10% reduction for 10 um horizontal or 15 um vertical dislocation. The design can be realized by standard flip-chip bonding techniques without co-fabrication of III-V and silicon or precise alignment.

Keywords: III-V/silicon integration, silicon photonics, single mode laser, vertical coupling

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2773 Computation of Induction Currents in a Set of Dendrites

Authors: R. B. Mishra, Sudhakar Tripathi

Abstract:

In this paper, the cable model of dendrites have been considered. The dendrites are cylindrical cables of various segments having variable length and reducing radius from start point at synapse and end points. For a particular event signal being received by a neuron in response only some dendrite are active at a particular instance. Initial current signals with different current flows in dendrite are assumed. Due to overlapping and coupling of active dendrite, they induce currents in the dendrite segments of each other at a particular instance. But how these currents are induced in the various segments of active dendrites due to coupling between these dendrites, It is not presented in the literature. Here the paper presents a model for induced currents in active dendrite segments due to mutual coupling at the starting instance of an activity in dendrite. The model is as discussed further.

Keywords: currents, dendrites, induction, simulation

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2772 Estimation of Respiratory Parameters in Pressure Controlled Ventilation System with Double Lungs on Secretion Clearance

Authors: Qian Zhang, Dongkai Shen, Yan Shi

Abstract:

A new mechanical ventilator with automatic secretion clearance function can improve the secretion clearance safely and efficiently. However, in recent modeling studies on various mechanical ventilators, it was considered that human had one lung, and the coupling effect of double lungs was never illustrated. In this paper, to expound the coupling effect of double lungs, a mathematical model of a ventilation system of a bi-level positive airway pressure (BiPAP) controlled ventilator with secretion clearance was set up. Moreover, an experimental study about the mechanical ventilation system of double lungs on BiPAP ventilator was conducted to verify the mathematical model. Finally, the coupling effect of double lungs of the mathematical ventilation was studied by simulation and orthogonal experimental design. This paper adds to previous studies and can be referred to optimization methods in medical researches.

Keywords: double lungs, coupling effect, secretion clearance, orthogonal experimental design

Procedia PDF Downloads 575
2771 Predicting Trapezoidal Weir Discharge Coefficient Using Evolutionary Algorithm

Authors: K. Roushanger, A. Soleymanzadeh

Abstract:

Weirs are structures often used in irrigation techniques, sewer networks and flood protection. However, the hydraulic behavior of this type of weir is complex and difficult to predict accurately. An accurate flow prediction over a weir mainly depends on the proper estimation of discharge coefficient. In this study, the Genetic Expression Programming (GEP) approach was used for predicting trapezoidal and rectangular sharp-crested side weirs discharge coefficient. Three different performance indexes are used as comparing criteria for the evaluation of the model’s performances. The obtained results approved capability of GEP in prediction of trapezoidal and rectangular side weirs discharge coefficient. The results also revealed the influence of downstream Froude number for trapezoidal weir and upstream Froude number for rectangular weir in prediction of the discharge coefficient for both of side weirs.

Keywords: discharge coefficient, genetic expression programming, trapezoidal weir

Procedia PDF Downloads 360
2770 Volume Density of Power of Multivector Electric Machine

Authors: Aldan A. Sapargaliyev, Yerbol A. Sapargaliyev

Abstract:

Since the invention, the electric machine (EM) can be defined as oEM – one-vector electric machine, as it works due to one-vector inductive coupling with use of one-vector electromagnet. The disadvantages of oEM are large size and limited efficiency at low and medium power applications. This paper describes multi-vector electric machine (mEM) based on multi-vector inductive coupling, which is characterized by the increased surface area of ​​the inductive coupling per EM volume, with a reduced share of inefficient and energy-consuming part of the winding, in comparison with oEM’s. Particularly, it is considered, calculated and compared the performance of three different electrical motors and their power at the same volumes and rotor frequencies. It is also presented the result of calculation of correlation between power density and volume for oEM and mEM. The method of multi-vector inductive coupling enables mEM to possess 1.5-4.0 greater density of power per volume and significantly higher efficiency, in comparison with today’s oEM, especially in low and medium power applications. mEM has distinct advantages, when used in transport vehicles such as electric cars and aircrafts.

Keywords: electric machine, electric motor, electromagnet, efficiency of electric motor

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2769 Role of Interlayer Coupling for the Power Factor of CuSbS2 and CuSbSe2

Authors: Najebah Alsaleh, Nirpendra Singh, Udo Schwingenschlogl

Abstract:

The electronic and transport properties of bulk and monolayer CuSbS2 and CuSbSe2 are determined by using density functional theory and semiclassical Boltzmann transport theory, in order to investigate the role of interlayer coupling for the thermoelectric properties. The calculated band gaps of the bulk compounds are in agreement with experiments and significantly higher than those of the monolayers, which thus show lower Seebeck coefficients. Since also the electrical conductivity is lower, the monolayers are characterized by lower power factors. Therefore, interlayer coupling is found to be essential for the excellent thermoelectric response of CuSbS2 and CuSbSe2, even though it is weak.

Keywords: density functional theory, thermoelectric, electronic properties, monolayer

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2768 Flexible Coupling between Gearbox and Pump (High Speed Machine)

Authors: Naif Mohsen Alharbi

Abstract:

This paper present failure occurred on flexible coupling installed at oil anf gas operation. Also it presents maintenance ideas implemented on the flexible coupling installed to transmit high torque from gearbox to pump. Basically, the machine train is including steam turbine which drives the pump and there is gearbox located in between for speed reduction. investigation are identifying the root causes, solving and developing the technology designs or bad actor. This report provides the study intentionally for continues operation optimization, utilize the advanced opportunity and implement a improvement. Objective: The main objectives of the investigation are identifying the root causes, solving and developing the technology designs or bad actor. Ultimately, fulfilling the operation productivity, also ensuring better technology, quality and design by solutions. This report provides the study intentionally for continues operation optimization, utilize the advanced opportunity and implemet improvement. Method: The method used in this project was a very focused root cause analysis procedure that incorporated engineering analysis and measurements. The analysis method extensively covers the measuring of the complete coupling dimensions. Including the membranes thickness, hubs, bore diameter and total length, dismantle flexible coupling to diagnose how deep the coupling has been affected. Also, defining failure modes, so that the causes could be identified and verified. Moreover, Vibration analysis and metallurgy test. Lastly applying several solutions by advanced tools (will be mentioned in detail). Results and observation: Design capacity: Coupling capacity is an inadequate to fulfil 100% of operating conditions. Therefore, design modification of service factor to be at least 2.07 is crucial to address this issue and prevent recurrence of similar scenario, especially for the new upgrading project. Discharge fluctuation: High torque flexible coupling encountered during the operation. Therefore, discharge valve behaviour, tuning, set point and general conditions revaluated and modified subsequently, it can be used as baseline for upcoming Coupling design project. Metallurgy test: Material of flexible coupling membrane (discs) tested at the lab, for a detailed metallurgical investigation, better material grade has been selected for our operating conditions,

Keywords: high speed machine, reliabilty, flexible coupling, rotating equipment

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2767 Effectiveness of Damping Devices on Coupling Beams of 15-story Building Based on Nonlinear Analysis Procedures

Authors: Galih Permana, Yuskar Lase

Abstract:

In recent years, damping device has been experimentally studied to replace diagonally reinforced coupling beams, to mitigate rebar congestion problem. This study focuses on evaluating the effectiveness of various damping devices in a high-rise building. The type of damping devices evaluated is Viscoelastic Damper (VCD) and Rotational Friction Damper (RFD), with study case of a 15-story reinforced concrete apartment building with a dual system (column-beam and shear walls). The analysis used is a nonlinear time history analysis with 11 pairs of ground motions matched to the Indonesian response spectrum based on ASCE 41-17 and ASCE 7-16. In this analysis, each damper will be varied with a different position, namely the first model, the damper will be installed on the entire floor and in the second model, the damper will be installed on the 5th floor to the 9th floor, which is the floor with the largest drift. The results show that the model using both dampers increases the level of structural performance both globally and locally in the building, which will reduce the level of damage to the structural elements. But between the two dampers, the coupling beam that uses RFD is more effective than using VCD in improving building performance. The damper on the coupling beam has a good role in dissipating earthquakes and also in terms of ease of installation.

Keywords: building, coupling beam, damper, nonlinear time history analysis

Procedia PDF Downloads 143
2766 Automated Detection of Related Software Changes by Probabilistic Neural Networks Model

Authors: Yuan Huang, Xiangping Chen, Xiaonan Luo

Abstract:

Current software are continuously updating. The change between two versions usually involves multiple program entities (e.g., packages, classes, methods, attributes) with multiple purposes (e.g., changed requirements, bug fixing). It is hard for developers to understand which changes are made for the same purpose. Whether two changes are related is not decided by the relationship between this two entities in the program. In this paper, we summarized 4 coupling rules(16 instances) and 4 state-combination types at the class, method and attribute levels for software change. Related Change Vector (RCV) are defined based on coupling rules and state-combination types, and applied to classify related software changes by using Probabilistic Neural Network during a software updating.

Keywords: PNN, related change, state-combination, logical coupling, software entity

Procedia PDF Downloads 410