Search results for: C-C bond formation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3728

Search results for: C-C bond formation

3548 A Computational Study of N–H…O Hydrogen Bonding to Investigate Cooperative Effects

Authors: Setareh Shekarsaraei, Marjan Moridi, Nasser L. Hadipour

Abstract:

In this study, nuclear magnetic resonance spectroscopy and nuclear quadrupole resonance spectroscopy parameters of 14N (Nitrogen in imidazole ring) in N–H…O hydrogen bonding for Histidine hydrochloride monohydrate were calculated via density functional theory. We considered a five-molecule model system of Histidine hydrochloride monohydrate. Also, we examined the trends of environmental effect on hydrogen bonds as well as cooperativity. The functional used in this research is M06-2X which is a good functional and the obtained results have shown good agreement with experimental data. This functional was applied to calculate the NMR and NQR parameters. Some correlations among NBO parameters, NMR, and NQR parameters have been studied which have shown the existence of strong correlations among them. Furthermore, the geometry optimization has been performed using M062X/6-31++G(d,p) method. In addition, in order to study cooperativity and changes in structural parameters, along with increase in cluster size, natural bond orbitals have been employed.

Keywords: hydrogen bonding, density functional theory (DFT), natural bond orbitals (NBO), cooperativity effect

Procedia PDF Downloads 434
3547 Native Point Defects in ZnO

Authors: A. M. Gsiea, J. P. Goss, P. R. Briddon, Ramadan. M. Al-habashi, K. M. Etmimi, Khaled. A. S. Marghani

Abstract:

Using first-principles methods based on density functional theory and pseudopotentials, we have performed a details study of native defects in ZnO. Native point defects are unlikely to be cause of the unintentional n-type conductivity. Oxygen vacancies, which considered most often been invoked as shallow donors, have high formation energies in n-type ZnO, in edition are a deep donors. Zinc interstitials are shallow donors, with high formation energies in n-type ZnO, and thus unlikely to be responsible on their own for unintentional n-type conductivity under equilibrium conditions, as well as Zn antisites which have higher formation energies than zinc interstitials. Zinc vacancies are deep acceptors with low formation energies for n-type and in which case they will not play role in p-type coductivity of ZnO. Oxygen interstitials are stable in the form of electrically inactive split interstitials as well as deep acceptors at the octahedral interstitial site under n-type conditions. Our results may provide a guide to experimental studies of point defects in ZnO.

Keywords: DFT, native, n-type, ZnO

Procedia PDF Downloads 568
3546 Compounding and Blending in English and Hausa Languages

Authors: Maryam Maimota

Abstract:

Words are the basic building blocks of a language. In everyday usage of a language, words are used and new words are formed and reformed in order to contain and accommodate all entities, phenomena, qualities and every aspect of the entire human life. This research study seeks to examine and compare some of the word formation processes and how they are used in forming new words in English and Hausa languages. The study focuses its main attention on blending and compounding as word formation processes and how the processes are used adequately in the formation of words in both English and Hausa languages. The research aims to find out, how compounding and blending are used, as processes of word formation in these two languages. And also, to investigate the word formation processes involved in compounding and blending in these languages, and the nature of words that are formed. Therefore, the research tries to find the answers to the following research questions; What types of compound and blended forms are found and how they are formed in the English and Hausa languages? How these compounded and blended forms functioned in both English and Hausa languages in different context such as in phrases and sentences structures? Findings of the study reveal that, there exist new kind of words formed in Hausa and English language under blending, which previous findings did not either reveal or explain in detail. Similarly, there are a lot of similarities found in the way these blends and compounds forms in the two languages, however, the data available shows that, blends in the Hausa language are more, when compared to the blends in English. The data of this study will be gathered based on discourse found in newspaper, articles, novels, and written literature of the Hausa and English languages.

Keywords: blending, compounding, morphology, word formation

Procedia PDF Downloads 354
3545 Inter-Filling of CaO and MgO Mixed Layer in Surface Behavior of Al-Mg Alloys Containing Al2Ca

Authors: Seong-Ho Ha, Young-Ok Yoon, Shae K. Kim

Abstract:

Oxide layer of normal Al-Mg alloy can be characterized by upper MgO and lower MgAl2O4 spinel. The formation of the MgO outmost layer occurs by the surface segregation of Mg in the initial oxidation. After then, the oxidation is proceeded with the formation of MgA12O4 spinel beneath the MgO. Growth of the oxide layer is accelerated by constant formation of MgA12O4 spinel. On the other hand, the oxidation resistance of Al-Mg alloys can be significantly improved simply by Mg+Al2Ca master alloy use as the Mg alloying element and such an improvement is attributed to the CaO/MgO mixed layer. Al-Mg alloy containing Al2Ca shows CaO as the upper layer and MgO as the lower one without MgA12O4 spinel. Such a dense oxide film acts as a protective layer. However, the CaO/MgO scale has the outmost MgO, partly, after a long time exposure to a harsh oxidation condition. The aim of this study is to investigate the inter-filling behaviour of CaO and MgO mixed layer in oxidation resistance mechanism of Al-Mg alloys containing Al2Ca. The process of outmost MgO layer formation will be clarified.

Keywords: Al-Mg alloy, Al2Ca, oxidation, MgO

Procedia PDF Downloads 259
3544 Biogenic-Sedimentary Structures of the Ordovician-Khabour Formation from the Northern Thrust Zone, Kurdistan, Iraq

Authors: Waleed Sulaiman Shingaly

Abstract:

The Ordivician-Khabour Formation from the Northern Thrust Zone of Iraqi-Kurdistan comprises between 500 and 800 m of alternating predominantly greenish-grey sandstones, siltstones and shales. The succession has revealed an abundant ichnofossils characterized by 11 ichnogenus, namely: Helminthopsis, Gordia, Cruziana, Rusophycus, Monomorphichnus, Rhizocorallium, Thalassinoide, Planolite, Paleophycus, Deplocraterion and Skolithose. Ethologically these ichnogenera display dwelling and feeding activities of the infaunal organisms. This association of ichnofossils contains elements of the Skolithose and Cruziana ichnofacies. The presence of Skolithos ichnofacies indicates sandy shifting substrate and high energy conditions in foreshore zone while the Cruziana ichnofacies indicate unconsolidated, poorly sorted soft substrate and low energy condition in the shore face/offshore zone. These ichnogenera indicate shoreface-offshore zone of shallow-marine environment for the deposition of the rocks of the Khabour Formation.

Keywords: Ichnofossils, shoreface-offshore zone, Khabour Formation, Iraq

Procedia PDF Downloads 497
3543 Immune Complex Components Act as Agents in Relapsing Fever Borrelia Mediated Rosette Formation

Authors: Mukunda Upreti, Jill Storry, Rafael Björk, Emilie Louvet, Johan Normark, Sven Bergström

Abstract:

Borrelia duttonii and most other relapsing fever species are Gram-negative bacteria which cause a blood borne infection characterized by the binding of bacterium to erythrocytes. The bacteria associate with two or more erythrocytes to form clusters of cells into rosettes. Rosetting is a major virulence factor and the mechanism is believed to facilitate persistence of bacteria in the circulatory system and the avoidance of host immune cells through masking or steric hindrance effects. However, the molecular mechanisms of rosette formation are still poorly understood. This study aims at determining the molecules involved in the rosette formation phenomenon. Fractionated serum, using different affinity purification methods, was investigated as a rosetting agent and IgG and at least one other serum components were needed for rosettes to form. An IgG titration curve demonstrated that IgG alone is not enough to restore rosette formation level to the level whole serum gives. IgG hydrolysis by IdeS ( Immunoglobulin G-degrading enzyme of Streptococcus pyogenes) and deglycosylation using N-Glycanase proved that the whole IgG molecule regardless of saccharide moieties is critical for Borrelia induced rosetting. Complement components C3 and C4 were also important serum molecules necessary to maintain optimum rosetting rates. The deactivation of complement network and serum depletion with C3 and C4 significantly reduced the rosette formation rate. The dependency of IgG and complement components also implied involvement of the complement receptor (CR1). Rosette formation test with Knops null RBC and sCR1 confirmed that CR1 is also part of Borrelia induced rosette formation.

Keywords: complement components C3 and C4, complement receptor 1, Immunoglobulin G, Knops null, Rosetting

Procedia PDF Downloads 303
3542 Site Formation Processes at a New Kingdom Settlement at Sai Island, Sudan

Authors: Sean Taylor, Sayantani Neogi, Julia Budka

Abstract:

The important Egyptian New Kingdom settlement at Sai Island Sudan presents a complex stratigraphic archaeological record. This study takes the theoretic stance that it, not just the archaeological material being retrieved from the deposits but the sediments themselves that reflect human agency. These anthropogenic sediments reflect the use life of the buildings and spaces between and the post-depositional processes which operate to complicate the archaeological record. The application of soil micromorphology is a technique that takes intact block samples of sediment and analyses them in thin section under a petrological microscope. A detailed understanding of site formation processes and a contextualized knowledge of the material culture can be understood through careful and systematic observation of the changing facies. The major findings of the study are that soil and sedimentary information can provide valuable insights to the use of space during the New Kingdom and elucidate the complexities of site formation processes.

Keywords: anthropogenic sediment, New Kingdom, site formation processes, soil micromorphology

Procedia PDF Downloads 408
3541 Explicable Enzymatic Mechanism of H-Ido to Oxidise Tryptophan by Employing Various Substrates

Authors: Ali Bahri Lubis

Abstract:

The study of dioxygenase enzymatic mechanism on tryptophan oxidation has been a wide interest since the reaction is rate-limiting step of kynurenine pathway. In this research, observation of tryptophan oxidation through h-IDO enzyme along with synthesis of enzyme products was conducted in order to comprehend how the enzyme works on distinct substrates. UV-vis spectrophotometry, LC-MS, H-NMR and HSQC measurement were carried out to characterise enzyme product. It is found that while tryptophan was oxidised to form Nformylkynurenine (NFK) as a major product and hydroxypyrroloindole amine carboxylic acid (HPIC) in cis and trans confirmed in HSQC, N-methyl tryptophan substrate was converted to NFK and trans HPIC only. Other intriguing results showed that 5-hydroxy- tryptophan and Stryptophan was degraded to become NFK and epoxide cyclic respectively. The formation of NFK was considered through dioxygenation pathway, however HPIC was formed via monooxygenation. The epoxide cyclic—considered as intermediate compound in the mechanism— from S-tryptophan was not able to cleave the epoxide ring since bond energy of epoxide was probably much stronger. This validates the enzymatic mechanism where the intermediate compound in the enzymatic mechanism is epoxide cyclic.

Keywords: tryptophan oxidation, heme-dioxygenases, N-formylkynurenine, hydroxypyrrroloindoleamine, monooxidation

Procedia PDF Downloads 59
3540 A Theoretical Approach on Electoral Competition, Lobby Formation and Equilibrium Policy Platforms

Authors: Deepti Kohli, Meeta Keswani Mehra

Abstract:

The paper develops a theoretical model of electoral competition with purely opportunistic candidates and a uni-dimensional policy using the probability voting approach while focusing on the aspect of lobby formation to analyze the inherent complex interactions between centripetal and centrifugal forces and their effects on equilibrium policy platforms. There exist three types of agents, namely, Left-wing, Moderate and Right-wing who comprise of the total voting population. Also, it is assumed that the Left and Right agents are free to initiate a lobby of their choice. If initiated, these lobbies generate donations which in turn can be contributed to one (or both) electoral candidates in order to influence them to implement the lobby’s preferred policy. Four different lobby formation scenarios have been considered: no lobby formation, only Left, only Right and both Left and Right. The equilibrium policy platforms, amount of individual donations by agents to their respective lobbies and the contributions offered to the electoral candidates have been solved for under each of the above four cases. Since it is assumed that the agents cannot coordinate each other’s actions during the lobby formation stage, there exists a probability with which a lobby would be formed, which is also solved for in the model. The results indicate that the policy platforms of the two electoral candidates converge completely under the cases of no lobby and both (extreme) formations but diverge under the cases of only one (Left or Right) lobby formation. This is because in the case of no lobby being formed, only the centripetal forces (emerging from the election-winning aspect) are present while in the case of both extreme (Left-wing and Right-wing) lobbies being formed, centrifugal forces (emerging from the lobby formation aspect) also arise but cancel each other out, again resulting in a pure policy convergence phenomenon. In contrast, in case of only one lobby being formed, both centripetal and centrifugal forces interact strategically, leading the two electoral candidates to choose completely different policy platforms in equilibrium. Additionally, it is found that in equilibrium, while the donation by a specific agent type increases with the formation of both lobbies in comparison to when only one lobby is formed, the probability of implementation of the policy being advocated by that lobby group falls.

Keywords: electoral competition, equilibrium policy platforms, lobby formation, opportunistic candidates

Procedia PDF Downloads 313
3539 Optimal Formation of Metallic Nuggets during the Reduction of Coal-Composite Briquette

Authors: Chol Min Yu, Sok Chol Ri

Abstract:

The optimization of formation and growth of metallic nuggets during self-reduction of coal composite briquette (CCB here) is essential to increase the yield of valuable metals. The formation of metallic nuggets was investigated theoretically and experimentally during the reduction of coal composite briquette made from stainless steel dust and coal. The formation of metallic nuggets is influenced by slag viscosity and interfacial tension between the liquid metal and the slag in the reduced product. Surface tensions of liquid metal and slag are rather strong, respectively, due to the high basicity of its slag. Strong surface tensions of them lead to increase of interfacial tension between the liquid metal and the slag to be favorable to the growth of metallic nuggets. The viscosity of slag and interfacial tension between the liquid metal and the slag depends on the temperature and composition of the slag. The formation and the growth of metallic nuggets depend on carbon to oxygen ratio FC/O and temperature.

Keywords: stainless steel dust, coal-composite briquette, temperature, high basicity, interfacial tension

Procedia PDF Downloads 54
3538 Effect of Sodium Chloride Concentration and Degree of Neutralization on the Structure and Dynamics of Poly(Methacrylic Acid) (PMA) in Dilute Aqueous Solutions – a Molecular Dynamics Simulations Study

Authors: Abhishek Kumar Gupta

Abstract:

Atomistic Molecular Dynamics (MD) Simulations have been performed to study the effect of monovalent salt i.e. NaCl concentration (Cs) and chain degree of neutralization (f) on the structure and dynamics of anionic poly(methacrylic acid) (PMA) in dilute aqueous solutions. In the present study, the attention is to unveil the conformational structure, hydrogen-bonding, local polyion-counterion structure, h-bond dynamics, chain dynamics and thermodynamic enthalpy of solvation of a-PMA in dilute aqueous solutions as a function of salt concentration, Cs and f. The results have revealed that at low salt concentration, the conformational radius of gyration (Rg) increases and then decreases reaching a maximum in agreement with the reported light scattering experimental results. The Rg at f = 1 shows a continual decrease and acquire a plateau value at higher salt concentration in agreement with results obtained by light scattering experiments. The radial distribution functions between PMA, salt and water atoms has been computed with respect to atom and centre-of-mass to understand the intermolecular structure in detail. The results pertaining to PMA chain conformations and hydrogen bond autocorrelation function showcasing the h-bond dynamics will be presented. The results pertaining to chain dynamics will be presented. The results pertaining to counterion condensation on the PMA chain shows greater condensation of Na+ ions on to the carboxylate ions with increase in salt concentration. Moreover, the solvation enthalpy of the system as a function of salt concentration will be presented.

Keywords: conformations, molecular dynamics simulations, NaCl concentration, radial distribution functions

Procedia PDF Downloads 92
3537 Experimental and Numerical Studies of Droplet Formation

Authors: Khaled Al-Badani, James Ren, Lisa Li, David Allanson

Abstract:

Droplet formation is an important process in many engineering systems and manufacturing procedures, which includes welding, biotechnologies, 3D printing, biochemical, biomedical fields and many more. The volume and the characteristics of droplet formation are generally depended on various material properties, microfluidics and fluid mechanics considerations. Hence, a detailed investigation of this process, with the aid of numerical computational tools, are essential for future design optimization and process controls of many engineering systems. This will also improve the understanding of changes in the properties and the structures of materials, during the formation of the droplet, which is important for new material developments to achieve different functions, pending the requirements of the application. For example, the shape of the formed droplet is critical for the function of some final products, such as the welding nugget during Capacitor Discharge Welding process, or PLA 3D printing, etc. Although, most academic journals on droplet formation, focused on issued with material transfer rate, surface tension and residual stresses, the general emphasis on the characteristics of droplet shape has been overlooked. The proposed work for this project will examine theoretical methodologies, experimental techniques, and numerical modelling, using ANSYS FLUENT, to critically analyse and highlight optimization methods regarding the formation of pendant droplet. The project will also compare results from published data with experimental and numerical work, concerning the effects of key material parameters on the droplet shape. These effects include changes in heating/cooling rates, solidification/melting progression and separation/break-up times. From these tests, a set of objectives is prepared, with an intention of improving quality, stability and productivity in modelling metal welding and 3D printing.

Keywords: computer modelling, droplet formation, material distortion, materials forming, welding

Procedia PDF Downloads 269
3536 Finite Element Assessment on Bond Behaviour of FRP-to-Concrete Joints under Cyclic Loading

Authors: F. Atheer, Al-Saoudi, Robin Kalfat, Riadh Al-Mahaidi

Abstract:

Over the last two decades, externally bonded fiber reinforced polymer (FRP) composites bonded to concrete substrates has become a popular method for strengthening reinforced concrete (RC) highway and railway bridges. Such structures are exposed to severe cyclic loading throughout their lifetime often resulting in fatigue damage to structural components and a reduction in the service life of the structure. Since experimental and numerical results on the fatigue performance of FRP-to-concrete joints are still limited, the current research focuses on assessing the fatigue performance of externally bonded FRP-to-concrete joints using a direct shear test. Some early results indicate that the stress ratio and the applied cyclic stress level have a direct influence on the fatigue life of the externally bonded FRP. In addition, a calibrated finite element model is developed to provide further insight into the influence of certain parameters such as: concrete strength, FRP thickness, number of cycles, frequency and stiffness on the fatigue life of the FRP-to-concrete joints.

Keywords: FRP, concrete bond, control, fatigue, finite element model

Procedia PDF Downloads 422
3535 Structural and Optical Properties of Pr3+ Doped ZnO and PVA:Zn98Pr2O Nanocomposites Free Standing Film

Authors: Pandiyarajan Thangaraj, Mangalaraja Ramalinga Viswanathan, Karthikeyan Balasubramanian, Héctor D. Mansilla, José Ruiz, David Contreras

Abstract:

We report a systematic study of structural and optical properties of Pr-doped ZnO nanostructures and PVA:Zn98Pr2O polymer matrix nanocomposites free standing films are performed. These particles are synthesized through simple wet chemical route and solution casting technique at room temperature, respectively. Structural studies carried out by X-ray diffraction method, confirms that the prepared pure ZnO and Pr-doped ZnO nanostructures are in hexagonal wurtzite structure and the microstrain is increased upon doping. TEM analysis reveals that the prepared materials are in the sheet-like nature. Absorption spectra show free excitonic absorption band at 370 nm and red shift for the Pr-doped ZnO nanostructures. The PVA:Zn98Pr2O composite film exhibits both free excitonic and PVA absorption bands at 282 nm. Fourier transform infrared spectral studies confirm the presence of A1 (TO) and E1 (TO) modes of Zn-O bond vibration and the formation of polymer composite materials.

Keywords: Pr doped ZnO, polymer nanocomposites, optical properties, free standing film

Procedia PDF Downloads 449
3534 Structural Properties of Surface Modified PVA: Zn97Pr3O Polymer Nanocomposite Free Standing Films

Authors: Pandiyarajan Thangaraj, Mangalaraja Ramalinga Viswanathan, Karthikeyan Balasubramanian, Héctor D. Mansilla, José Ruiz

Abstract:

Rare earth ions doped semiconductor nanostructures gained much attention due to their novel physical and chemical properties which lead to potential applications in laser technology as inexpensive luminescent materials. Doping of rare earth ions into ZnO semiconductor alter its electronic structure and emission properties. Surface modification (polymer covering) is one of the simplest techniques to modify the emission characteristics of host materials. The present work reports the synthesis and structural properties of PVA:Zn97Pr3O polymer nanocomposite free standing films. To prepare Pr3+ doped ZnO nanostructures and PVA:Zn97Pr3O polymer nanocomposite free standing films, the colloidal chemical and solution casting techniques were adopted, respectively. The formation of PVA:Zn97Pr3O films were confirmed through X-ray diffraction (XRD), absorption and Fourier transform infrared (FTIR) spectroscopy analyses. XRD measurements confirm the prepared materials are crystalline having hexagonal wurtzite structure. Polymer composite film exhibits the diffraction peaks of both PVA and ZnO structures. TEM images reveal the pure and Pr3+ doped ZnO nanostructures exhibit sheet like morphology. Optical absorption spectra show free excitonic absorption band of ZnO at 370 nm and, the PVA:Zn97Pr3O polymer film shows absorption bands at ~282 and 368 nm and these arise due to the presence of carbonyl containing structures connected to the PVA polymeric chains, mainly at the ends and free excitonic absorption of ZnO nanostructures, respectively. Transmission spectrum of as prepared film shows 57 to 69% of transparency in the visible and near IR region. FTIR spectral studies confirm the presence of A1 (TO) and E1 (TO) modes of Zn-O bond vibration and the formation of polymer composite materials.

Keywords: rare earth doped ZnO, polymer composites, structural characterization, surface modification

Procedia PDF Downloads 345
3533 Interaction of Histone H1 with Chromatin-associated Protein HMGB1 Studied by Microscale Thermophoresis

Authors: Michal Štros, Eva Polanská, Šárka Pospíšilová

Abstract:

HMGB1 is an architectural protein in chromatin, acting also as a signaling molecule outside the cell. Recent reports from several laboratories provided evidence that a number of both the intracellular and extracellular functions of HMGB1 may depend on redox-sensitive cysteine residues of the protein. MALDI-TOF analysis revealed that mild oxidization of HMGB1 resulted in a conformational change of the protein due to formation of an intramolecular disulphide bond by opposing Cys23 and Cys45 residues. We have demonstrated that redox state of HMGB1 could significantly modulate the ability of the protein to bind and bend DNA. We have also shown that reduced HMGB1 could easily displace histone H1 from DNA, while oxidized HMGB1 had limited capacity for H1 displacement. Using microscale thermophoresis (MST) we have further studied mechanism of HMGB1 interaction with histone H1 in free solution or when histone H1 was bound to DNA. Our MST analysis indicated that reduced HMGB1 exhibited in free solution > 1000 higher affinity of for H1 (KD ~ 4.5 nM) than oxidized HMGB1 (KD <10 M). Finally, we present a novel mechanism for the HMGB1-mediated modulation of histone H1 binding to DNA.

Keywords: HMGB1, histone H1, redox state, interaction, cross-linking, DNA bending, DNA end-joining, microscale thermophoresis

Procedia PDF Downloads 316
3532 Hydrogen Production Using an Anion-Exchange Membrane Water Electrolyzer: Mathematical and Bond Graph Modeling

Authors: Hugo Daneluzzo, Christelle Rabbat, Alan Jean-Marie

Abstract:

Water electrolysis is one of the most advanced technologies for producing hydrogen and can be easily combined with electricity from different sources. Under the influence of electric current, water molecules can be split into oxygen and hydrogen. The production of hydrogen by water electrolysis favors the integration of renewable energy sources into the energy mix by compensating for their intermittence through the storage of the energy produced when production exceeds demand and its release during off-peak production periods. Among the various electrolysis technologies, anion exchange membrane (AEM) electrolyser cells are emerging as a reliable technology for water electrolysis. Modeling and simulation are effective tools to save time, money, and effort during the optimization of operating conditions and the investigation of the design. The modeling and simulation become even more important when dealing with multiphysics dynamic systems. One of those systems is the AEM electrolysis cell involving complex physico-chemical reactions. Once developed, models may be utilized to comprehend the mechanisms to control and detect flaws in the systems. Several modeling methods have been initiated by scientists. These methods can be separated into two main approaches, namely equation-based modeling and graph-based modeling. The former approach is less user-friendly and difficult to update as it is based on ordinary or partial differential equations to represent the systems. However, the latter approach is more user-friendly and allows a clear representation of physical phenomena. In this case, the system is depicted by connecting subsystems, so-called blocks, through ports based on their physical interactions, hence being suitable for multiphysics systems. Among the graphical modelling methods, the bond graph is receiving increasing attention as being domain-independent and relying on the energy exchange between the components of the system. At present, few studies have investigated the modelling of AEM systems. A mathematical model and a bond graph model were used in previous studies to model the electrolysis cell performance. In this study, experimental data from literature were simulated using OpenModelica using bond graphs and mathematical approaches. The polarization curves at different operating conditions obtained by both approaches were compared with experimental ones. It was stated that both models predicted satisfactorily the polarization curves with error margins lower than 2% for equation-based models and lower than 5% for the bond graph model. The activation polarization of hydrogen evolution reactions (HER) and oxygen evolution reactions (OER) were behind the voltage loss in the AEM electrolyzer, whereas ion conduction through the membrane resulted in the ohmic loss. Therefore, highly active electro-catalysts are required for both HER and OER while high-conductivity AEMs are needed for effectively lowering the ohmic losses. The bond graph simulation of the polarisation curve for operating conditions at various temperatures has illustrated that voltage increases with temperature owing to the technology of the membrane. Simulation of the polarisation curve can be tested virtually, hence resulting in reduced cost and time involved due to experimental testing and improved design optimization. Further improvements can be made by implementing the bond graph model in a real power-to-gas-to-power scenario.

Keywords: hydrogen production, anion-exchange membrane, electrolyzer, mathematical modeling, multiphysics modeling

Procedia PDF Downloads 62
3531 The Effect of Ingredients Mixing Sequence in Rubber Compounding on the Formation of Bound Rubber and Cross-Link Density of Natural Rubber

Authors: Abu Hasan, Rochmadi, Hary Sulistyo, Suharto Honggokusumo

Abstract:

This research purpose is to study the effect of Ingredients mixing sequence in rubber compounding onto the formation of bound rubber and cross link density of natural rubber and also the relationship of bound rubber and cross link density. Analysis of bound rubber formation of rubber compound and cross link density of rubber vulcanizates were carried out on a natural rubber formula having masticated and mixing, followed by curing. There were four methods of mixing and each mixing process was followed by four mixing sequence methods of carbon black into the rubber. In the first method of mixing sequence, rubber was masticated for 5 min and then rubber chemicals and carbon black N 330 were added simultaneously. In the second one, rubber was masticated for 1 min and followed by addition of rubber chemicals and carbon black N 330 simultaneously using the different method of mixing then the first one. In the third one, carbon black N 660 was used for the same mixing procedure of the second one, and in the last one, rubber was masticated for 3 min, carbon black N 330 and rubber chemicals were added subsequently. The addition of rubber chemicals and carbon black into masticated rubber was distinguished by the sequence and time allocated for each mixing process. Carbon black was added into two stages. In the first stage, 10 phr was added first and the remaining 40 phr was added later along with oil. In the second one to the fourth one, the addition of carbon black in the first and the second stage was added in the phr ratio 20:30, 30:20, and 40:10. The results showed that the ingredients mixing process influenced bound rubber formation and cross link density. In the three methods of mixing, the bound rubber formation was proportional with crosslink density. In contrast in the fourth one, bound rubber formation and cross link density had contradictive relation. Regardless of the mixing method operated, bound rubber had non linear relationship with cross link density. The high cross link density was formed when low bound rubber formation. The cross link density became constant at high bound rubber content.

Keywords: bound-rubber, cross-link density, natural rubber, rubber mixing process

Procedia PDF Downloads 393
3530 Stock Characteristics and Herding Formation: Evidence from the United States Equity Market

Authors: Chih-Hsiang Chang, Fang-Jyun Su

Abstract:

This paper explores whether stock characteristics influence the herding formation among investors in the US equity market. To extend the research scope of the existing literature, this paper further examines the role that stock risk characteristics play in the US equity market, and the way they influence investors’ decision-making. First, empirical results show that whether general stocks or high-risk stocks, there are no herding behaviors among the investors in the US equity market during the whole research period or during four great events. Moreover, stock characteristics have great influence on investors’ trading decisions. Finally, there is a bidirectional lead-lag relationship of the herding formation between high-risk stocks and low-risk stocks, but the influence of high-risk stocks on the low-risk stocks is stronger than that of low-risk stocks on the high-risk stocks.

Keywords: stock characteristics, herding formation, investment decision, US equity market, lead-lag relationship

Procedia PDF Downloads 254
3529 Petroleum Play Fairway Analysis of the Middle Paleocene Lower Beda Formation, Concession 71, South-Central Sirt Basin, Libya

Authors: Hatem K. Hamed, Mohamed S. Hrouda

Abstract:

The Middle Paleocene Lower Beda Formation was deposited in a ramp system with local shoaling. The main constituent is limestone, with subordinate dolomites and Shales. Reservoir quality is largely influenced by depositional environments and diagenesis processes. Generally the reservoir quality of Lower Beda Formation is low risk on the Inferred Horst and in the Southern Shelf where the Lower Beda formation comprises mainly of calcarenties. In the vicinity of the well GG1 the Lower Beda comprise mainly of argillaceous calcilutites and shale. The reservoir quality gradually improves from high risk to moderate risk towards KK1, LL1 and NN1 wells. The average gross thickness of Lower Beda Formation is about 300 ft. The net thickness varies from about 270 ft. in the E1-71 well to about 30 ft. in the vicinity of GG1-71 well. The net thickest of Lower Beda form a NNW-SSW trend with an average of 250 ft. the change in facies is due to change in the depositional environment, from lagoonal to shoal barrier to open marine affected the reservoir quality. The Upper Cretaceous Sirte Shale is the main source rock. It is developed within the three troughs surrounding the study area. S-Marada Trough to the N- E, Gerad Trough to the N N-W, and Abu Tummym Sub-basin to the S-W of the Inferred Horst. Sirte shale reaches 1000ft, of organically rich section. It has good organic contents over large area 2% to 3%. Hydrocarbon shows were encountered in several wells in Beda Formation this is an indication of vertical and lateral migration of hydrocarbon. The overlying Upper Paleocene Khalifa Formation is a transgressive shale, it is an effective regional top seal. Lithofacies variations in Khalifa Shale, from shales to limestones in the southern shelf in R1-71 well approximately 50-75% of the secession is limestone. About 47 million barrel of hydrocarbon recoverable reserves is expected to be trapped in structural and stratigraphic traps in Beda Formation in the study area.

Keywords: Sirte basin, Beda formation, concession 71, petroleum play fairway analysis

Procedia PDF Downloads 65
3528 Preliminary Geotechnical Properties of Uncemented Sandstone Kati Formation

Authors: Nursyafiqah Abdul Kahar, Niraku Rosmawati Ahmad, Hisham Mohamad, Siti Nuruljannah Mohd Marzuki

Abstract:

Assessment of geotechnical properties of the subsoil is necessary for generating relevant input for the design and construction of a foundation. It is significant for the future development in the area. The focus of this research is to investigate the preliminary geotechnical properties of the uncemented sandstone from Kati formation at Puncak Iskandar, Seri Iskandar. A series of basic soil tests, oedometer and direct shear box tests were carried out to obtain the soil parameters. The uncemented sandstone of Kati Formation was found to have well-graded and poorly graded sand distribution, depending on the location where the samples were obtained. The sand grains distribution was in a range of 82%-100% while, the specific gravity of the uncemented sandstone is in the range 2.65-2.86. The preconsolidation pressure for USB3 was 990 kPa indicating that the sandstone at USB3 sample had undergone 990 kPa of overburden pressure. The angle of friction for uncemented sandstone was ranging between 23.34°-32.92°.

Keywords: geotechnical properties, Kati formation, uncemented sandstone, oedometer test; shear box test

Procedia PDF Downloads 140
3527 Layersomes for Oral Delivery of Amphotericin B

Authors: A. C. Rana, Abhinav Singh Rana

Abstract:

Layer by layer coating of biocompatible polyelectrolytes converts the liposomes into stable version i.e 'layersomes'. This system was further used to deliver the Amphotericin B through the oral route. Extensive optimization of different process variables resulted in the formation of layersomes with the particle size of 238.4±5.1, PDI of 0.24±0.16, the zeta potential of 34.6±1.3, and entrapment efficiency of 71.3±1.2. TEM analysis further confirmed the formation of spherical particles. Trehalose (10% w/w) resulted in the formation of fluffy and easy to redisperse cake in freeze dried layersomes. Controlled release up to 50 % within 24 h was observed in the case of layersomes. The layersomes were found stable in simulated biological fluids and resulted in the 3.59 fold higher bioavailability in comparison to free Amp-B. Furthermore, the developed formulation was found to be safe in comparison to Fungizone as indicated by blood urea nitrogen (BUN) and creatinine level.

Keywords: amphotericin B, layersomes, liposomes, toxicity

Procedia PDF Downloads 507
3526 Durability of Wood Shavel Composites with Environmental Friendly Based Binder

Authors: Jul Endawati

Abstract:

The composite element of 20 mm in thickness were manufactured using high volume fly ash, silica fume as alternative hydraulic binders and Portland cement Type II. Pine wood shavel as by product of local small wood working industries were used as the composite filler. The elements were given in situ wet and dry treatment for 9 months. Visually there is no fiber degradation as a result of the interaction of the environment. The assessment were done to the elements bending strength and dimensional properties. Increase in MoR after 180 days of exposure shown that mechanically this degradation is not seen yet. The increment of MoR (213%) compare to that of 28 days might be affected by the formation of calcium hydroxide (CH) or ettringite in the transition zone. The use of pozzolan showed also a delay or minimize degradation of composites while improving the pore structure, and minimize the mineralization of the fiber bond with the cement matrix. The water absorption is 4,22% at 180 days, 7,94% at 120 days and 12,38% at 28 days, in line with the 68% decrease in Thickness Swelling (TS). This unoccured degradation could also be affected by the presence of silica fume in the binder matrix. After 270 days of exposure under tropical condition, the flexural strength started to decrease.

Keywords: durability, fly ash, natural fibre, silica fume

Procedia PDF Downloads 244
3525 Functionalized DOX Nanocapsules by Iron Oxide Nanoparticles for Targeted Drug Delivery

Authors: Afsaneh Ghorbanzadeh, Afshin Farahbakhsh, Zakieh Bayat

Abstract:

The drug capsulation was used for release and targeted delivery in determined time, place and temperature or pH. The DOX nanocapsules were used to reduce and to minimize the unwanted side effects of drug. In this paper, the encapsulation methods of doxorubicin (DOX) and the labeling it by the magnetic core of iron (Fe3O4) has been studied. The Fe3O4 was conjugated with DOX via hydrazine bond. The solution was capsuled by the sensitive polymer of heat or pH such as chitosan-g-poly (N-isopropylacrylamide-co-N,N-dimethylacrylamide), dextran-g-poly(N-isopropylacrylamide-co-N,N-dimethylacrylamide) and mPEG-G2.5 PAMAM by hydrazine bond. The drug release was very slow at temperatures lower than 380°C. There was a rapid and controlled drug release at temperatures higher than 380°C. According to experiments, the use mPEG-G2.5PAMAM is the best method of DOX nanocapsules synthesis, because in this method, the drug delivery time to certain place is lower than other methods and the percentage of released drug is higher. The synthesized magnetic carrier system has potential applications in magnetic drug-targeting delivery and magnetic resonance imaging.

Keywords: drug carrier, drug release, doxorubicin, iron oxide NPs

Procedia PDF Downloads 397
3524 Geology, Geomorphology and Genesis of Andarokh Karstic Cave, North-East Iran

Authors: Mojtaba Heydarizad

Abstract:

Andarokh basin is one of the main karstic regions in Khorasan Razavi province NE Iran. This basin is part of Kopeh-Dagh mega zone extending from Caspian Sea in the east to northern Afghanistan in the west. This basin is covered by Mozdooran Formation, Ngr evaporative formation and quaternary alluvium deposits in descending order of age. Mozdooran carbonate formation is notably karstified. The main surface karstic features in Mozdooran formation are Groove karren, Cleft karren, Rain pit, Rill karren, Tritt karren, Kamintza, Domes, and Table karren. In addition to surface features, deep karstic feature Andarokh Cave also exists in the region. Studying Ca, Mg, Mn, Sr, Fe concentration and Sr/Mn ratio in Mozdooran formation samples with distance to main faults and joints system using PCA analyses demonstrates intense meteoric digenesis role in controlling carbonate rock geochemistry. The karst evaluation in Andarokh basin varies from early stages 'deep seated karst' in Mesozoic to mature karstic system 'Exhumed karst' in quaternary period. Andarokh cave (the main cave in Andarokh basin) is rudimentary branch work consists of three passages of A, B and C and two entrances Andarokh and Sky.

Keywords: Andarokh basin, Andarokh cave, geochemical analyses, karst evaluation

Procedia PDF Downloads 130
3523 Fault Detection and Isolation in Attitude Control Subsystem of Spacecraft Formation Flying Using Extended Kalman Filters

Authors: S. Ghasemi, K. Khorasani

Abstract:

In this paper, the problem of fault detection and isolation in the attitude control subsystem of spacecraft formation flying is considered. In order to design the fault detection method, an extended Kalman filter is utilized which is a nonlinear stochastic state estimation method. Three fault detection architectures, namely, centralized, decentralized, and semi-decentralized are designed based on the extended Kalman filters. Moreover, the residual generation and threshold selection techniques are proposed for these architectures.

Keywords: component, formation flight of satellites, extended Kalman filter, fault detection and isolation, actuator fault

Procedia PDF Downloads 414
3522 Evaluation of Shale Gas Resource Potential of the Middle Benue Trough, Nigeria

Authors: Ovye Yohanna Musah

Abstract:

Shale formations of the Middle Benue Trough in North Central Nigeria present a variety of opportunities for the exploration, development and exploitation of unconventional natural gas. Prospective formations range in age from Albian through Coniacian; they include the Asu River Group, Awe, Ezeaku and the Awgu formations, however, the Keana and Lafia formations are thought to be of lesser importance. The Awgu formation presents the best prospect when compared to the Barnett Shales of Fort Worth Basin in Texa, United States with regards to the organic matter maturition, TOC content of formation and shale thicknesses which are key attributes that aid in determining the economic viability of any shale gas play. The vitrinite reflectance value from Rock Eval pyrolysis for Awe and Awgu formations are 0.89—1.34(%) and 0.83—1.13(%) respectively and are good and sufficiently mature to generate gas from the Benue Trough. The TOC value are good for Awgu formation which is 0.83—6.54(%) and closest to that of the Barnett at 1—4.5(%). Asu River and Ezeaku are less viable. Furthermore, the High to Medium Volatile bituminous coals found in the Awgu formation are characterized by high TOC contents which may enhance gas generation and this is good for further examination and possible development.

Keywords: shale gas, resource, unconventional, benue, TOC

Procedia PDF Downloads 365
3521 Prediction of Formation Pressure Using Artificial Intelligence Techniques

Authors: Abdulmalek Ahmed

Abstract:

Formation pressure is the main function that affects drilling operation economically and efficiently. Knowing the pore pressure and the parameters that affect it will help to reduce the cost of drilling process. Many empirical models reported in the literature were used to calculate the formation pressure based on different parameters. Some of these models used only drilling parameters to estimate pore pressure. Other models predicted the formation pressure based on log data. All of these models required different trends such as normal or abnormal to predict the pore pressure. Few researchers applied artificial intelligence (AI) techniques to predict the formation pressure by only one method or a maximum of two methods of AI. The objective of this research is to predict the pore pressure based on both drilling parameters and log data namely; weight on bit, rotary speed, rate of penetration, mud weight, bulk density, porosity and delta sonic time. A real field data is used to predict the formation pressure using five different artificial intelligence (AI) methods such as; artificial neural networks (ANN), radial basis function (RBF), fuzzy logic (FL), support vector machine (SVM) and functional networks (FN). All AI tools were compared with different empirical models. AI methods estimated the formation pressure by a high accuracy (high correlation coefficient and low average absolute percentage error) and outperformed all previous. The advantage of the new technique is its simplicity, which represented from its estimation of pore pressure without the need of different trends as compared to other models which require a two different trend (normal or abnormal pressure). Moreover, by comparing the AI tools with each other, the results indicate that SVM has the advantage of pore pressure prediction by its fast processing speed and high performance (a high correlation coefficient of 0.997 and a low average absolute percentage error of 0.14%). In the end, a new empirical correlation for formation pressure was developed using ANN method that can estimate pore pressure with a high precision (correlation coefficient of 0.998 and average absolute percentage error of 0.17%).

Keywords: Artificial Intelligence (AI), Formation pressure, Artificial Neural Networks (ANN), Fuzzy Logic (FL), Support Vector Machine (SVM), Functional Networks (FN), Radial Basis Function (RBF)

Procedia PDF Downloads 133
3520 Investigation of Optical, Film Formation and Magnetic Properties of PS Lates/MNPs Composites

Authors: Saziye Ugur

Abstract:

In this study, optical, film formation, morphological and the magnetic properties of a nanocomposite system, composed of polystyrene (PS) latex polymer and core-shell magnetic nanoparticles (MNPs) is presented. Nine different mixtures were prepared by mixing of PS latex dispersion with different amount of MNPs in the range of (0- 100 wt%). PS/MNPs films were prepared from these mixtures on glass substrates by drop casting method. After drying at room temperature, each film sample was separately annealed at temperatures from 100 to 250 °C for 10 min. In order to monitor film formation process, the transmittance of these composites was measured after each annealing step as a function of MNPs content. Below a critical MNPs content (30 wt%), it was found that PS percolates into the MNPs hard phase and forms an interconnected network upon annealing. The transmission results showed above this critical value, PS latexes were no longer film forming at all temperatures. Besides, the PS/MNPs composite films also showed excellent magnetic properties. All composite films showed superparamagnetic behaviors. The saturation magnetisation (Ms) first increased up to 0.014 emu in the range of (0-50) wt% MNPs content and then decreased to 0.010 emu with increasing MNPs content. The highest value of Ms was approximately 0.020 emu and was obtained for the film filled with 85 wt% MNPs content. These results indicated that the optical, film formation and magnetic properties of PS/MNPs composite films can be readily tuned by varying loading content of MNPs nanoparticles.

Keywords: composite film, film formation, magnetic nanoparticles, ps latex, transmission

Procedia PDF Downloads 229
3519 From Communalism to Individualism: Critical Insights on the Changing Nature of Hausa Society in Northern Nigeria

Authors: Waisu Iliyasu

Abstract:

It is a well-known fact that the Hausa people have, since time immemorial, had a distinct culture of living together and assisting one another. In fact, the communal bond has been an important aspect that bound society together. Over the years, this communal bond has been eroded, giving way to an individualistic society whereby everyone lives a different way of life free from social cohesion and family bonds. It is against this backdrop the paper examines the forces of change in Hausa society and their effect on communal living. The paper also highlights the factors and actors involved in such change and how, in the later years of Nigeria’s independence, such factors transformed the social, political and economic structures of Hausa society in Northern Nigeria. In writing this paper, qualitative research is used in which questionnaires and oral interviews were used as a method of data collection. Along this way, other sources like primary and secondary are also used extensively in writing the paper. The concluding part of the paper reveals that unless the problems of elitism, corruption and poverty are addressed, the gap between have and have-nots, wealthy and poor, literate and illiterate, will continue to widen, thereby leading to an individualistic society that negates all forms of communal living.

Keywords: communalism, individualism, historical insights, Hausa land

Procedia PDF Downloads 44