Search results for: active molecules
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4280

Search results for: active molecules

4160 Adsorption of Atmospheric Gases Using Atomic Clusters

Authors: Vidula Shevade, B. J. Nagare, Sajeev Chacko

Abstract:

First principles simulation, meaning density functional theory (DFT) calculations with plane waves and pseudopotential, has become a prized technique in condensed matter theory. Nanoparticles (NP) have been known to possess good catalytic activities, especially for molecules such as CO, O₂, etc. Among the metal NPs, Aluminium based NPs are also widely known for their catalytic properties. Aluminium metal is a lightweight, excellent electrical, and thermal abundant chemical element in the earth’s crust. Aluminium NPs, when added to solid rocket fuel, help improve the combustion speed and considerably increase combustion heat and combustion stability. Adding aluminium NPs into normal Al/Al₂O₃ powder improves the sintering processes of the ceramics, with high heat transfer performance, increased density, and enhanced thermal conductivity of the sinter. We used VASP and Gaussian 0₃ package to compute the geometries, electronic structure, and bonding properties of Al₁₂Ni as well as its interaction with O₂ and CO molecules. Several MD simulations were carried out using VASP at various temperatures from which hundreds of structures were optimized, leading to 24 unique structures. These structures were then further optimized through a Gaussian package. The lowest energy structure of Al₁₂Ni has been reported to be a singlet. However, through our extensive search, we found a triplet state to be lower in energy. In our structure, the Ni atom is found to be on the surface, which gives the non-zero magnetic moment. Incidentally, O2 and CO molecules are also triplet in nature, due to which the Al₁₂-Ni cluster is likely to facilitate the oxidation process of the CO molecule. Our results show that the most favourable site for the CO molecule is the Ni atom and that for the O₂ molecule is the Al atom that is nearest to the Ni atom. Al₁₂Ni-O₂ and Al₁₂-Ni-CO structures we extracted using VMD. Al₁₂Ni nanocluster, due to in triplet electronic structure configuration, indicates it to be a potential candidate as a catalyst for oxidation of CO molecules.

Keywords: catalyst, gaussian, nanoparticles, oxidation

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4159 Fault Location Detection in Active Distribution System

Authors: R. Rezaeipour, A. R. Mehrabi

Abstract:

Recent increase of the DGs and microgrids in distribution systems, disturbs the tradition structure of the system. Coordination between protection devices in such a system becomes the concern of the network operators. This paper presents a new method for fault location detection in the active distribution networks, independent of the fault type or its resistance. The method uses synchronized voltage and current measurements at the interconnection of DG units and is able to adapt to changes in the topology of the system. The method has been tested on a 38-bus distribution system, with very encouraging results.

Keywords: fault location detection, active distribution system, micro grids, network operators

Procedia PDF Downloads 755
4158 Quantitative Structure–Activity Relationship Analysis of Some Benzimidazole Derivatives by Linear Multivariate Method

Authors: Strahinja Z. Kovačević, Lidija R. Jevrić, Sanja O. Podunavac Kuzmanović

Abstract:

The relationship between antibacterial activity of eighteen different substituted benzimidazole derivatives and their molecular characteristics was studied using chemometric QSAR (Quantitative Structure–Activity Relationships) approach. QSAR analysis has been carried out on inhibitory activity towards Staphylococcus aureus, by using molecular descriptors, as well as minimal inhibitory activity (MIC). Molecular descriptors were calculated from the optimized structures. Principal component analysis (PCA) followed by hierarchical cluster analysis (HCA) and multiple linear regression (MLR) was performed in order to select molecular descriptors that best describe the antibacterial behavior of the compounds investigated, and to determine the similarities between molecules. The HCA grouped the molecules in separated clusters which have the similar inhibitory activity. PCA showed very similar classification of molecules as the HCA, and displayed which descriptors contribute to that classification. MLR equations, that represent MIC as a function of the in silico molecular descriptors were established. The statistical significance of the estimated models was confirmed by standard statistical measures and cross-validation parameters (SD = 0.0816, F = 46.27, R = 0.9791, R2CV = 0.8266, R2adj = 0.9379, PRESS = 0.1116). These parameters indicate the possibility of application of the established chemometric models in prediction of the antibacterial behaviour of studied derivatives and structurally very similar compounds.

Keywords: antibacterial, benzimidazole, molecular descriptors, QSAR

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4157 A Numerical Study on Semi-Active Control of a Bridge Deck under Seismic Excitation

Authors: A. Yanik, U. Aldemir

Abstract:

This study investigates the benefits of implementing the semi-active devices in relation to passive viscous damping in the context of seismically isolated bridge structures. Since the intrinsically nonlinear nature of semi-active devices prevents the direct evaluation of Laplace transforms, frequency response functions are compiled from the computed time history response to sinusoidal and pulse-like seismic excitation. A simple semi-active control policy is used in regard to passive linear viscous damping and an optimal non-causal semi-active control strategy. The control strategy requires optimization. Euler-Lagrange equations are solved numerically during this procedure. The optimal closed-loop performance is evaluated for an idealized controllable dash-pot. A simplified single-degree-of-freedom model of an isolated bridge is used as numerical example. Two bridge cases are investigated. These cases are; bridge deck without the isolation bearing and bridge deck with the isolation bearing. To compare the performances of the passive and semi-active control cases, frequency dependent acceleration, velocity and displacement response transmissibility ratios Ta(w), Tv(w), and Td(w) are defined. To fully investigate the behavior of the structure subjected to the sinusoidal and pulse type excitations, different damping levels are considered. Numerical results showed that, under the effect of external excitation, bridge deck with semi-active control showed better structural performance than the passive bridge deck case.

Keywords: bridge structures, passive control, seismic, semi-active control, viscous damping

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4156 Intelligent Semi-Active Suspension Control of a Electric Model Vehicle System

Authors: Shiuh-Jer Huang, Yun-Han Yeh

Abstract:

A four-wheel drive electric vehicle was built with hub DC motors and FPGA embedded control structure. A 40 steps manual adjusting motorcycle shock absorber was refitted with DC motor driving mechanism to construct as a semi-active suspension system. Accelerometer and potentiometer sensors are installed to measure the sprung mass acceleration and suspension system compression or rebound states for control purpose. An intelligent fuzzy logic controller was proposed to real-time search appropriate damping ratio based on vehicle running condition. Then, a robust fuzzy sliding mode controller (FSMC) is employed to regulate the target damping ratio of each wheel axis semi-active suspension system. Finally, different road surface conditions are chosen to evaluate the control performance of this semi-active suspension and compare with that of passive system based on wheel axis acceleration signal.

Keywords: acceleration, FPGA, Fuzzy sliding mode control, semi-active suspension

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4155 Spinochromes: Kairomones Involved in the Symbiosis between the Shrimp Tuleariocaris holthuisi and Echinometra mathaei

Authors: Lola Brasseur, Guillaume Caulier, Marie Demeyer, Pascal Gerbaux, Igor Eeckhaut

Abstract:

Seawater being an ideal dispersing agent, chemical communication stays predominant in marine ecosystems. However, if many molecules acting in chemical heterospecific communication have already been well described in terrestrial ecosystems, only three of these molecules were identified in marine ecosystems. Echinoderms and their symbiotic organisms constitute very good models to study heterospecific chemical communication because each class synthesizes a specific type of molecules and symbioses with echinoderms as hosts are very usual. In this study, the chemical communication that allows the commensal shrimps Tuleariocaris holthuisi Hipeau-Jacquotte, 1965 to live with their host Echinometra mathaei (Blainville, 1825) was investigated. The chemoreception of the shrimp was characterized using olfactometers and it was demonstrated that hosts and synthetic hydroxynaphthoquinones are attractive to the symbiotic shrimps. Hydroxynaphthoquinonic pigments also known as spinochromes are by the way synthesized by sea urchin and involved in all probability in a lot of mechanisms. To our knowledge, this study is the first highlighting the ecological function of naphthoquinones as kairomones. Chemical extractions were also performed on sea urchins in order to analyze and identify their specific hydroxynaphthoquinones using HPLC-ESI-MS. Accurate mass identification and elemental composition have been performed on various organs (gonads, coelomic liquid, digestive system and test) in different morphotypes of Echinometra mathaei for a better understanding of the molecular diversity of these semiochemicals. Moreover, some experiments were performed to investigate the dependence of T. holthuisi for their host. First, the analyses showed that the molecules involved in shrimp pigmentation are the same that the ones involved in E. mathaei, suggesting a potential feeding on the host. Secondly, a substantial shrimp depigmentation and an increase of the mortality rate were demonstrated after the symbionts-host separation which could mean a potential implication of spinochromes in the shrimp metabolism.

Keywords: crustacean, sea urchin, spinochrome, symbiosis

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4154 Influence of La on Increasing the ORR Activity of LaNi Supported with N and S Co-doped Carbon Black Electrocatalyst for Fuel Cells and Batteries

Authors: Maryam Kiani

Abstract:

Non-precious electrocatalysts play a crucial role in the oxygen reduction reaction (ORR) for regenerative fuel cells and rechargeable metal-air batteries. To enhance ORR activity, La (a less active element) is added to modify the activity of Ni. This addition increases the surface contents of Ni2+, N, and S species in LaNi/N-S-C, while still maintaining a substantial specific surface area and hierarchical porosity. Therefore, the additional La is essential for the successful ORR process.In addition, the presence of extra La in the LaNi/N-S-C electrocatalyst enhances the efficiency of charge transfer and improves the surface acid-base characteristics, facilitating the adsorption of oxygen molecules during the ORR process. As a result, this superior and desirable electrocatalyst exhibits significantly enhanced ORR bifunctional activity. In fact, its ORR activity is comparable to that of the 20 wt% Pt/C.

Keywords: fuel cells, batteries, dual-doped carbon black, ORR

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4153 The Application of Active Learning to Develop Creativity in General Education

Authors: Chalermwut Wijit

Abstract:

This research is conducted in order to 1) study the result of applying “Active Learning” in general education subject to develop creativity 2) explore problems and obstacles in applying Active Learning in general education subject to improve the creativity in 1780 undergraduate students who registered this subject in the first semester 2013. The research is implemented by allocating the students into several groups of 10 -15 students and assigning them to design the activities for society under the four main conditions including 1) require no financial resources 2) practical 3) can be attended by every student 4) must be accomplished within 2 weeks. The researcher evaluated the creativity prior and after the study. Ultimately, the problems and obstacles from creating activity are evaluated from the open-ended questions in the questionnaires. The study result states that overall average scores on students’ ability increased significantly in terms of creativity, analytical ability and the synthesis, the complexity of working plan and team working. It can be inferred from the outcome that active learning is one of the most efficient methods in developing creativity in general education.

Keywords: creative thinking, active learning, general education, social sustainability

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4152 Robust State feedback Controller for an Active Suspension System

Authors: Hussein Altartouri

Abstract:

The purpose of this paper is to present a modeling and control of the active suspension system using robust state feedback controller implemented for a half car model. This system represents a mechatronic system which contains all the essential components to be considered a complete mechatronic system. This system must adapt different conditions which are difficult to compromise, such as disturbances, slippage, and motion on rough road (that contains rocks, stones, and other miscellanies). Some current automobile suspension systems use passive components only by utilizing spring and damping coefficient with fixed rates. Vehicle suspensions systems are used to provide good road handling and improve passenger comfort. Passive suspensions only offer compromise between these two conflicting criteria. Active suspension poses the ability to reduce the traditional design as a compromise between handling and comfort by directly controlling the suspensions force actuators. In this study, the robust state feedback controller implemented to the active suspensions system for half car model.

Keywords: half-car model, active suspension system, state feedback, road profile

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4151 Investigating the Molecular Behavior of H₂O in Caso 4 -2h₂o Two-Dimensional Nanoscale System

Authors: Manal Alhazmi, Artem Mishchenko

Abstract:

A molecular fluids' behavior and interaction with other materials at the nanoscale is a complex process. Nanoscale fluids behave so differently than macroscale fluids and interact with other materials in unique ways. It is, therefore, feasible to understand the molecular behavior of H₂O in such two-dimensional nanoscale systems by studying (CaSO4-2H2O), commonly known as gypsum. In the present study, spectroscopic measurements on a 2D structure of exfoliated gypsum crystals are carried out by Raman and IR spectroscopy. An array of gypsum flakes with thicknesses ranging from 8nm to 100nm were observed and analyzed for their Raman and IR spectrum. Water molecules stretching modes spectra lines were also measured and observed in nanoscale gypsum flakes and compared with those of bulk crystals. CaSO4-2H2O crystals have Raman and infrared bands at 3341 cm-1 resulting from the weak hydrogen bonds between the water molecules. This internal vibration of water molecules, together with external vibrations with other atoms, are responsible for these bands. There is a shift of about 70 cm-1 In the peak position of thin flakes with respect to the bulk crystal, which is a result of the different atomic arrangement from bulk to thin flake on the nano scale. An additional peak was observed in Raman spectra around 2910-3137 cm⁻¹ in thin flakes but is missing in bulk crystal. This additional peak is attributed to a combined mode of water internal (stretching mode at 3394cm⁻¹) and external vibrations. In addition to Raman and infra- red analysis of gypsum 2D structure, electrical measurements were conducted to reveal the water molecules transport behavior in such systems. Electrical capacitance of the fabricated device is measured and found to be (0.0686 *10-12) F, and the calculated dielectric constant (ε) is (12.26).

Keywords: gypsum, infra-red spectroscopy, raman spectroscopy, H₂O behavior

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4150 The Perceptions, Experiences, and Views of E-Tutors on Active Learning in the ODeL Context

Authors: Bunki Enid Pitsoane

Abstract:

This study was influenced by the radical change in the tutorial system of UNISA, immigrating from face to face to E-tutoring. The study was undertaken to investigate the perceptions, experiences, and views of E-tutors in relation to active learning. The study is aimed at capturing the views and experiences of E-tutors as they are deemed to implement active learning within their E-tutoring. The problem was traced from Developmental and behaviorist’s theorists perspective and factors related to perception, experience, and views of E-tutors on active learning. The research is aligned with the views of constructivism which put more emphasis on situated learning, chaos, and digital factors. The basis of the theory is that learning is developmental, situational and context-sensitive and also digital. The theorists further purports that the tutor’s conception of teaching and learning influence their tutoring style. In order to support or reject the findings of the literature study, qualitative research in the form of interviews and document analysis were conducted. The sample of the study constituted of 10 E-tutors who are involved in tutoring modules from the College of Education. The identified E-tutors were randomly selected based on their availability. The data concerning E-tutors perception and experience was analysed and interpreted. The results of the empirical study indicated that some tutors are struggling to implement active learning because they are digital immigrants or they lack in digital knowledge which affect productivity in their teaching.

Keywords: E-Tutoring, active learning, perceptions, views

Procedia PDF Downloads 190
4149 Bronchospasm Analysis Following the Implementation of a Program of Maximum Aerobic Exercise in Active Men

Authors: Sajjad Shojaeidoust, Mohsen Ghanbarzadeh, Abdolhamid Habibi

Abstract:

Exercise-induced bronchospasm (EIB) is a transitory condition of airflow obstruction that is associated with physical activities. It is noted that high ventilation can lead to an increase in the heat and reduce in the moisture in airways resistance of trachea. Also causes of pathophysiological mechanism are EIB. Accordingly, studying some parameters of pulmonary function (FVC, FEV1) among active people seems quintessential. The aim of this study was to analyze bronchospasm following the implementation of a program of maximum aerobic exercise in active men at Chamran University of Ahwaz. Method: In this quasi-experimental study, the population consisted of all students at Chamran University. Among from 55 participants, of which, 15 were randomly selected as the experimental group. In this study, the size of the maximum oxygen consumption was initially measured, and then, based on the maximum oxygen consumed, the active individuals were identified. After five minutes’ warm-up, Strand treadmill exercise test was taken (one session) and pulmonary parameters were measured at both pre- and post-tests (spirometer). After data normalization using KS and non-normality of the data, the Wilcoxon test was used to analyze the data. The significance level for all statistical surveys was considered p≤0/05. Results: The results showed that the ventilation factors and bronchospasm (FVC, FEV1) in the pre-test and post-test resulted in no significant difference among the active people (p≥0/05). Discussion and conclusion: Based on the results observed in this study, it appears that pulmonary indices in active individuals increased after aerobic test. The increase in this indicator in active people is due to increased volume and elasticity of the lungs as well. In other words, pulmonary index is affected by rib muscles. It is considered that progress over respiratory muscle strength and endurance has raised FEV1 in the active cases.

Keywords: aerobic active maximum, bronchospasm, pulmonary function, spirometer

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4148 Synthesis of a Library of Substituted Isoquinolines Based on a Triazolization Strategy, and Their Anti-HIV and C-X-C Chemokine Receptor Type 4 Antagonist Activity

Authors: Mastaneh Safarnejad Shad, Wim Dehaen, Steven De Jonghe

Abstract:

Since CXCR4 is the main coreceptor of HIV-1 and plays an important role in human immunodeficiency virus (HIV) entry, numerous efforts were directed towards the discovery of new classes of small molecules that act as CXCR4 antagonists. In addition, CXCR4 antagonists are potentially useful in the treatment of several other disorders, such as cancer cell metastasis, leukemia cell proliferation, rheumatoid arthritis, and pulmonary fibrosis. Since AMD3100 (plerixafor) is the only CXCR4 antagonist which obtained approval by the Food and Drug Administration (FDA), we were motivated to investigate a new category of molecules as CXCR4 antagonists. Most of the scaffolds which have been studied so far as CXCR4 antagonists are based on the tetrahydroquinoline (THQ) moiety in which AMD11070 (mavorixafor), GSK-812394, and TIQ15 displayed the most potent CXCR4 antagonism. Due to the high potency of these scaffolds, two different series of compounds were prepared in this work. In the first set, the THQ moiety is coupled to an amine chain and various isoquinoline derivatives (prepared by an in-house developed triazolization strategy), of which the upper part of molecules is identical to AMD11070 and TIQ15. In the second category of compounds, the THQ moiety was simplified by the synthesis of a substituted pyridine moiety. In order to investigate if CXCR4 antagonism requires the presence of an isoquinoline moiety, the corresponding pyridine analogues were also prepared. In both series of compounds, potent CXCR4 antagonism was noticed.

Keywords: CXCR4 coreceptor, CXCR4 antagonists, HIV inhibitor, tetrahydroquinoline

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4147 Semiconductor Nanofilm Based Schottky-Barrier Solar Cells

Authors: Mariyappan Shanmugam, Bin Yu

Abstract:

Schottky-barrier solar cells are demonstrated employing 2D-layered MoS2 and WS2 semiconductor nanofilms as photo-active material candidates synthesized by chemical vapor deposition method. Large area MoS2 and WS2 nanofilms are stacked by layer transfer process to achieve thicker photo-active material studied by atomic force microscopy showing a thickness in the range of ~200 nm. Two major vibrational active modes associated with 2D-layered MoS2 and WS2 are studied by Raman spectroscopic technique to estimate the quality of the nanofilms. Schottky-barrier solar cells employed MoS2 and WS2 active materials exhibited photoconversion efficiency of 1.8 % and 1.7 % respectively. Fermi-level pinning at metal/semiconductor interface, electronic transport and possible recombination mechanisms are studied in the Schottky-barrier solar cells.

Keywords: two-dimensional nanosheet, graphene, hexagonal boron nitride, solar cell, Schottky barrier

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4146 Controller Design for Active Suspension System of 1/4 Car with Unknown Mass and Time-Delay

Authors: Ali Al-Zughaibi

Abstract:

The purpose of this paper is to present a modeling and control of the quarter car active suspension system with unknown mass, unknown time-delay and road disturbance. The objective of designing the controller by deriving a control law to achieve stability of the system and convergence that can considerably improve the ride comfort and road disturbance handling. Thus is accomplished by using Routh-Herwitz criterion and based on some assumptions. A mathematical proof is given to show the ability of the designed controller to ensure stability and convergence of the active suspension system and dispersion oscillation of system with unknown mass, time-delay and road disturbances. Simulations were also performed for controlling quarter car suspension, where the results obtained from these simulations verify the validity of the proposed design.

Keywords: active suspension system, time-delay, disturbance rejection, dynamic uncertainty

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4145 Coevaluations Software among Students in Active Learning Methodology

Authors: Adriano Pinargote, Josue Mosquera, Eduardo Montero, Dalton Noboa, Jenny Venegas, Genesis Vasquez Escuela

Abstract:

In the framework of Pre University learning of the Polytechnic School of the Litoral, Guayaquil, Ecuador, the methodology of Active Learning (Flipped Classroom) has been implemented for applicants who wish to obtain a quota within the university. To complement the Active Learning cycle, it has been proposed that the respective students influence the qualification of their work groups, for which a web platform has been created that allows them to evaluate the performance of their peers through a digital coevaluation that measures through statistical methods, the group and individual performance score that can reflect in numbers a weighting score corresponding to the grade of each student. Their feedback provided by the group help to improve the performance of the activities carried out in classes because the note reflects the commitment with their classmates shown in the class, within this analysis we will determine if this implementation directly influences the performance of the grades obtained by the student.

Keywords: active learning, coevaluation, flipped classroom, pre university

Procedia PDF Downloads 114
4144 Dynamic Active Earth Pressure on Flexible Cantilever Retaining Wall

Authors: Snehal R. Pathak, Sachin S. Munnoli

Abstract:

Evaluation of dynamic earth pressure on retaining wall is a topic of primary importance. In present paper, dynamic active earth pressure and displacement of flexible cantilever retaining wall has been evaluated analytically using 2-DOF mass-spring-dashpot model by incorporating both wall and backfill properties. The effect of wall flexibility on dynamic active earth pressure and wall displacement are studied and presented in graphical form. The obtained results are then compared with the various conventional methods, experimental analysis and also with PLAXIS analysis. It is observed that the dynamic active earth pressure decreases with increase in the wall flexibility while wall displacement increases linearly with flexibility of the wall. The results obtained by proposed 2-DOF analytical model are found to be more realistic and economical.

Keywords: earth pressure, earthquake, 2-DOF model, Plaxis, retaining walls, wall movement

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4143 Active Imagination: The Effective Factor in the Practice of Psychotherapy

Authors: Sonia Regina Lyra

Abstract:

The desire for unequivocal clarity is understandable, but this can make one forget that things of the soul are experiential processes, or transformations, which should never be designated unilaterally if it is not wanted to transform something that moves, a living thing, into something static. Among the so-called ‘things of the soul’ there are especially spontaneous fantasies, that emerge during the processes, as a result from the use of the active imagination technique, for when fantasy is not forced, violated, or subjugated by an illegitimate, intellectually preconceived idea, then it is a legitimate and authentic product of the unconscious mind. This is how one can gain access to unadulterated information about everything that transcends the conscious mind. However, it is vital to discern between ego and non-ego, because this principle will result in a release of energy and a renewal of life, which will come to have meaning. This study will deal with the active imagination as a knowledge that depends on the individual experience of the therapist because the patient will be taken just to reach where the unconscious of the therapist was assimilated to his own conscience. In this way, the therapist becomes the method itself, being his personality, a fundamental part of an effective factor.

Keywords: active imagination, effective factor, synchronicity, symptom

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4142 Comparison of the Dynamic Characteristics of Active and Passive Hybrid Bearings

Authors: Denis V. Shutin, Alexander Yu. Babin, Leonid A. Savin

Abstract:

One of the ways of reducing vibroactivity of rotor systems is to apply active hybrid bearings. Their design allows correction of the rotor’s location by means of separately controlling the supply pressure of the lubricant into the friction area. In a most simple case, the control system is based on a P-regulator. Increase of the gain coefficient allows decreasing the amplitude of rotor’s vibrations. The same effect can be achieved by means of increasing the pressure in the collector of a traditional passive hybrid bearing. However, these approaches affect the dynamic characteristics of the bearing differently. Theoretical studies show that the increase of the gain coefficient of an active bearing increases the stiffness of the bearing, as well as the increase of the pressure in the collector. Nevertheless, in case of a passive bearing, the damping properties deteriorate, whereas the active hybrid bearings obtain higher damping properties, which allow effectively providing the energy dissipation of the rotor vibrations and reducing the load on the constructional elements of a machine.

Keywords: active bearings, control system, damping, hybrid bearings, stiffness

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4141 Aqueous Hydrogen Sulphide in Slit-Shaped Silica Nano-Pores: Confinement Effects on Solubility, Structural and Dynamical Properties

Authors: Sakiru Badmos, David R. Cole, Alberto Striolo

Abstract:

It is known that confinement in nm-size pores affects many structural and transport properties of water and co-existing volatile species. Of particular interest for fluids in sub-surface systems, in catalysis, and in separations are reports that confinement can enhance the solubility of gases in water. Equilibrium molecular dynamics simulations were performed for aqueous H₂S confined in slit-shaped silica pores at 313K. The effect of pore width on the H₂S solubility in water was investigated. Other properties of interest include the molecular distribution of the various fluid molecules within the pores, the hydration structure for solvated H₂S molecules, and the dynamical properties of the confined fluids. The simulation results demonstrate that confinement reduces the H₂S solubility in water and that the solubility increases with pore size. Analysis of spatial distribution functions suggests that these results are due to perturbations on the coordination of water molecules around H₂S due to confinement. Confinement is found to dampen the dynamical properties of aqueous H₂S as well. Comparing the results obtained for aqueous H₂S to those reported elsewhere for aqueous CH₄, it can be concluded that H₂S permeates hydrated slit-shaped silica nano-pores faster than CH₄. In addition to contributing to better understanding the behavior of fluids in subsurface formations, these observations could also have important implications for developing new natural gas sweetening technologies.

Keywords: confinement, interfacial properties, molecular dynamic simulation, sub-surface formations

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4140 Student-Created Videos to Foster Active Learning in Heat Transfer Course

Authors: W.Appamana, S. Jantasee, P. Siwarasak, T. Mueansichai, C. Kaewbuddee

Abstract:

Heat transfer is important in chemical engineering field. We have to know how to predict rates of heat transfer in a variety of process situations. Therefore, heat transfer learning is one of the greatest challenges for undergraduate students in chemical engineering. To enhance student learning in classroom, active-learning method was proposed in a single classroom, using problems based on videos and creating video, think-pair-share and jigsaw technique. The result shows that active learning method can prevent copying of the solutions manual for students and improve average examination scores about 5% when comparing with students in traditional section. Overall, this project represents an effective type of class that motivates student-centric learning while enhancing self-motivation, creative thinking and critical analysis among students.

Keywords: active learning, student-created video, self-motivation, creative thinking

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4139 Smart Trust Management for Vehicular Networks

Authors: Amel Ltifi, Ahmed Zouinkhi, Med Salim Bouhlel

Abstract:

Spontaneous networks such as VANET are in general deployed in an open and thus easily accessible environment. Therefore, they are vulnerable to attacks. Trust management is one of a set of security solutions dedicated to this type of networks. Moreover, the strong mobility of the nodes (in the case of VANET) makes the establishment of a trust management system complex. In this paper, we present a concept of ‘Active Vehicle’ which means an autonomous vehicle that is able to make decision about trustworthiness of alert messages transmitted about road accidents. The behavior of an “Active Vehicle” is modeled using Petri Nets.

Keywords: active vehicle, cooperation, petri nets, trust management, VANET

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4138 Water Diffusivity in Amorphous Epoxy Resins: An Autonomous Basin Climbing-Based Simulation Method

Authors: Betim Bahtiri, B. Arash, R. Rolfes

Abstract:

Epoxy-based materials are frequently exposed to high-humidity environments in many engineering applications. As a result, their material properties would be degraded by water absorption. A full characterization of the material properties under hygrothermal conditions requires time- and cost-consuming experimental tests. To gain insights into the physics of diffusion mechanisms, atomistic simulations have been shown to be effective tools. Concerning the diffusion of water in polymers, spatial trajectories of water molecules are obtained from molecular dynamics (MD) simulations allowing the interpretation of diffusion pathways at the nanoscale in a polymer network. Conventional MD simulations of water diffusion in amorphous polymers lead to discrepancies at low temperatures due to the short timescales of the simulations. In the proposed model, this issue is solved by using a combined scheme of autonomous basin climbing (ABC) with kinetic Monte Carlo and reactive MD simulations to investigate the diffusivity of water molecules in epoxy resins across a wide range of temperatures. It is shown that the proposed simulation framework estimates kinetic properties of water diffusion in epoxy resins that are consistent with experimental observations and provide a predictive tool for investigating the diffusion of small molecules in other amorphous polymers.

Keywords: epoxy resins, water diffusion, autonomous basin climbing, kinetic Monte Carlo, reactive molecular dynamics

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4137 Plasticity in Matrix Dominated Metal-Matrix Composite with One Active Slip Based Dislocation

Authors: Temesgen Takele Kasa

Abstract:

The main aim of this paper is to suggest one active slip based continuum dislocation approach to matrix dominated MMC plasticity analysis. The approach centered the free energy principles through the continuum behavior of dislocations combined with small strain continuum kinematics. The analytical derivation of this method includes the formulation of one active slip system, the thermodynamic approach of dislocations, determination of free energy, and evolution of dislocations. In addition zero and non-zero energy dissipation analysis of dislocation evolution is also formulated by using varational energy minimization method. In general, this work shows its capability to analyze the plasticity of matrix dominated MMC with inclusions. The proposed method is also found to be capable of handling plasticity of MMC.

Keywords: active slip, continuum dislocation, distortion, dominated, energy dissipation, matrix dominated, plasticity

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4136 Introduction of PMMA-Tag to VHH for Improving Recovery and Immobilization Rate of VHHS

Authors: Bongmun Kang, Kagnari Yamakawa, Yoshihisa Hagihara, Yuji Ito, Michimasa Kishimoto, Yoichi Kumada

Abstract:

The PMMA-tag was genetically fused with the C-terminal region of VHH molecules. This antibody, VHH, is known as a single-chain domain, which is devoid of light chains. The PMMA-tag, which could affect the isoelectric point (pI) changeable with a charge of amino acid in VHHs were closely related to the solubility of VHH molecules during refolding. The genetic fusion of PMMA-tag to C-terminal region of VHHs significantly affects the recovery of their soluble protein during refolding by 50 mM TAPS at pH 8.5. It could be refolded with a recovery of more than 95% by dialysis at pH 8.5. A marked difference in the antigen-binding activities in the adsorption state was significantly high in VHH-PM compared to the wild type of VHH. There are approximately 8-fold differences in the antigen-binding activities in the adsorption state between VHH-PM and VHH.

Keywords: VHH, PMMA-tag, isoelectric point, pH, Solubility, refolding, immobilization, ELISA

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4135 The Determinants of Senior Students, Behavioral Intention on the Blended E-Learning for the Ceramics Teaching Course at the Active Aging University

Authors: Horng-Jyh Chen, Yi-Fang Chen, Chien-Liang Lin

Abstract:

In this paper, the authors try to investigate the determinants of behavioral intention of the blended e-learning course for senior students at the Active Ageing University in Taiwan. Due to lower proficiency in the use of computers and less experience on learning styles of the blended e-learning course for senior students will be expected quite different from those for most young students. After more than five weeks course for two years the questionnaire survey is executed to collect data for statistical analysis in order to understand the determinants of the behavioral intention for senior students. The object of this study is at one of the Active Ageing University in Taiwan total of 84 senior students in the blended e-learning for the ceramics teaching course. The research results show that only the perceived usefulness of the blended e-learning course has significant positive relationship with the behavioral intention.

Keywords: Active Aging University, blended e-learning, ceramics teaching course, behavioral intention

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4134 Visible-Light Induced Photocatalytic Degradation of Dye Molecules over ZnWO4-Bi2WO6 Composite

Authors: Sudarat Issarapanacheewin, Katcharin Wetchakun, Sukon Phanichphant, Wiyong Kangwansupamonkon, Natda Wetchakun

Abstract:

The photocatalytic degradation of Methylene blue (MB) and Rhodamine B (RhB) in the presence of ZnWO4-Bi2WO6 composite under visible light irradiation (λ ≥ 400 nm) were studied in this research. The structural and photophysical properties of ZnWO4-Bi2WO6 composite on the photocatalytic degradation process were investigated. The as-prepared ZnWO4-Bi2WO6 composite photocatalyst exhibits wide absorption in the visible-light region and display superior visible-light-driven photocatalytic activities in degradation of MB and RhB. The enhanced photocatalytic activity was attributed to electron-hole separation with the appropriate band potential and the physicochemical properties of ZnWO4 and Bi2WO6. The main active species for the degradation of organic dyes were investigated to explain the enhancement of photocatalytic performance of ZnWO4-Bi2WO6 composite. The possible photocatalytic degradation pathway of aqueous MB and RhB dyes and charge transfer of ZnWO4-Bi2WO6 composite was proposed.

Keywords: composite, dyes, photocatalytic activity, ZnWO4-Bi2WO6

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4133 Active Learning Based on Science Experiments to Improve Scientific Literacy

Authors: Kunihiro Kamataki

Abstract:

In this study, active learning based on simple science experiments was developed in a university class of the freshman, in order to improve their scientific literacy. Through the active learning based on simple experiments of generation of cloud in a plastic bottle, students increased the interest in the global atmospheric problem and were able to discuss and find solutions about this problem positively from various viewpoints of the science technology, the politics, the economy, the diplomacy and the relations among nations. The results of their questionnaires and free descriptions of this class indicate that they improve the scientific literacy and motivations of other classroom lectures to acquire knowledge. It is thus suggested that the science experiment is strong tool to improve their intellectual curiosity rapidly and the connections that link the impression of science experiment and their interest of the social problem is very important to enhance their learning effect in this education.

Keywords: active learning, scientific literacy, simple scientific experiment, university education

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4132 PET/CT Patient Dosage Assay

Authors: Gulten Yilmaz, A. Beril Tugrul, Mustafa Demir, Dogan Yasar, Bayram Demir, Bulent Buyuk

Abstract:

A Positron Emission Tomography (PET) is a radioisotope imaging technique that illustrates the organs and the metabolisms of the human body. This technique is based on the simultaneous detection of 511 keV annihilation photons, annihilated as a result of electrons annihilating positrons that radiate from positron-emitting radioisotopes that enter biological active molecules in the body. This study was conducted on ten patients in an effort to conduct patient-related experimental studies. Dosage monitoring for the bladder, which was the organ that received the highest dose during PET applications, was conducted for 24 hours. Assessment based on measuring urination activities after injecting patients was also a part of this study. The MIRD method was used to conduct dosage calculations for results obtained from experimental studies. Results obtained experimentally and theoretically were assessed comparatively.

Keywords: PET/CT, TLD, MIRD, dose measurement, patient doses

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4131 Development of New Localized Surface Plasmon Resonance Interfaces Based on ITO Au NPs/ Polymer for Nickel Detection

Authors: F. Z. Tighilt, N. Belhaneche-Bensemra, S. Belhousse, S. Sam, K. Lasmi, N. Gabouze

Abstract:

Recently, the gold nanoparticles (Au NPs) became an active multidisciplinary research topic. First, Au thin films fabricated by alkylthiol-functionalized Au NPs were found to have vapor sensitive conductivities, they were hence widely investigated as electrical chemiresistors for sensing different vapor analytes and even organic molecules in aqueous solutions. Second, Au thin films were demonstrated to have speciallocalized surface plasmon resonances (LSPR), so that highly ordered 2D Au superlattices showed strong collective LSPR bands due to the near-field coupling of adjacent nanoparticles and were employed to detect biomolecular binding. Particularly when alkylthiol ligands were replaced by thiol-terminated polymers, the resulting polymer-modified Au NPs could be readily assembled into 2D nanostructures on solid substrates. Monolayers of polystyrene-coated Au NPs showed typical dipolar near-field interparticle plasmon coupling of LSPR. Such polymer-modified Au nanoparticle films have an advantage that the polymer thickness can be feasibly controlled by changing the polymer molecular weight. In this article, the effect of tin-doped indium oxide (ITO) coatings on the plasmonic properties of ITO interfaces modified with gold nanostructures (Au NSs) is investigated. The interest in developing ITO overlayers is multiple. The presence of a con-ducting ITO overlayer creates a LSPR-active interface, which can serve simultaneously as a working electrode in an electro-chemical setup. The surface of ITO/ Au NPs contains hydroxyl groups that can be used to link functional groups to the interface. Here the covalent linking of nickel /Au NSs/ITO hybrid LSPR platforms will be presented.

Keywords: conducting polymer, metal nanoparticles (NPs), LSPR, poly (3-(pyrrolyl)–carboxylic acid), polypyrrole

Procedia PDF Downloads 245