Search results for: Molecular Interaction
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1319

Search results for: Molecular Interaction

1229 Method of Moments for Analysis of Multiple Crack Interaction in an Isotropic Elastic Solid

Authors: Weifeng Wang, Xianwei Zeng, Jianping Ding

Abstract:

The problem of N cracks interaction in an isotropic elastic solid is decomposed into a subproblem of a homogeneous solid without crack and N subproblems with each having a single crack subjected to unknown tractions on the two crack faces. The unknown tractions, namely pseudo tractions on each crack are expanded into polynomials with unknown coefficients, which have to be determined by the consistency condition, i.e. by the equivalence of the original multiple cracks interaction problem and the superposition of the N+1 subproblems. In this paper, Kachanov-s approach of average tractions is extended into the method of moments to approximately impose the consistence condition. Hence Kachanov-s method can be viewed as the zero-order method of moments. Numerical results of the stress intensity factors are presented for interactions of two collinear cracks, three collinear cracks, two parallel cracks, and three parallel cracks. As the order of moment increases, the accuracy of the method of moments improves.

Keywords: Crack interaction, stress intensity factor, multiplecracks, method of moments.

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1228 Start Talking in an e-Learning Environment: Building and Sustaining Communities of Practice

Authors: Melissa C. LaDuke

Abstract:

The purpose of this targeted analysis was to identify the use of online communities of practice (CoP) within e-learning environments as a method to build social interaction and student-centered educational experiences. A literature review was conducted to survey and collect scholarly thoughts concerning CoPs from a variety of sources. Data collected included best practices, ties to educational theories, and examples of online CoPs. Social interaction has been identified as a critical piece of the learning infrastructure, specifically for adult learners. CoPs are an effective way to help students connect to each other and the material of interest. The use of CoPs falls in line with many educational theories, including situated learning theory, social constructivism, connectivism, adult learning theory, and motivation. New literacies such as social media and gamification can help increase social interaction in online environments and provide methods to host CoPs. Steps to build and sustain a CoP were discussed in addition to CoP considerations and best practices.

Keywords: Community of practice, knowledge sharing, social interaction, online course design, new literacies.

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1227 Discovery of Human HMG-Coa Reductase Inhibitors Using Structure-Based Pharmacophore Modeling Combined with Molecular Dynamics Simulation Methodologies

Authors: Minky Son, Chanin Park, Ayoung Baek, Shalini John, Keun Woo Lee

Abstract:

3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR) catalyzes the conversion of HMG-CoA to mevalonate using NADPH and the enzyme is involved in rate-controlling step of mevalonate. Inhibition of HMGR is considered as effective way to lower cholesterol levels so it is drug target to treat hypercholesterolemia, major risk factor of cardiovascular disease. To discover novel HMGR inhibitor, we performed structure-based pharmacophore modeling combined with molecular dynamics (MD) simulation. Four HMGR inhibitors were used for MD simulation and representative structure of each simulation were selected by clustering analysis. Four structure-based pharmacophore models were generated using the representative structure. The generated models were validated used in virtual screening to find novel scaffolds for inhibiting HMGR. The screened compounds were filtered by applying drug-like properties and used in molecular docking. Finally, four hit compounds were obtained and these complexes were refined using energy minimization. These compounds might be potential leads to design novel HMGR inhibitor.

Keywords: Anti-hypercholesterolemia drug, HMGR inhibitor, Molecular dynamics simulation, Structure-based pharmacophore modeling.

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1226 Optical and Double Folding Analysis for 6Li+16O Elastic Scattering

Authors: Abd Elrahman Elgamala, N. Darwish, I. Bondouk, Sh. Hamada

Abstract:

Available experimental angular distributions for 6Li elastically scattered from 16O nucleus in the energy range 13.0–50.0 MeV are investigated and reanalyzed using optical model of the conventional phenomenological potential and also using double folding optical model of different interaction models: DDM3Y1, CDM3Y1, CDM3Y2, and CDM3Y3. All the involved models of interaction are of M3Y Paris except DDM3Y1 which is of M3Y Reid and the main difference between them lies in the different values for the parameters of the incorporated density distribution function F(ρ). We have extracted the renormalization factor NR for 6Li+16O nuclear system in the energy range 13.0–50.0 MeV using the aforementioned interaction models.

Keywords: Elastic scattering, optical model, folding potential, density distribution.

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1225 Immunomodulatory Effects of Multipotent Mesenchymal Stromal Cells on T-Cell Populations at Tissue-Related Oxygen Level

Authors: A. N. Gornostaeva, P. I. Bobyleva, E. R. Andreeva, L. B. Buravkova

Abstract:

Multipotent mesenchymal stromal cells (MSCs) possess immunomodulatory properties. The effect of MSCs on the crucial cellular immunity compartment – T-cells is of a special interest. It is known that MSC tissue niche and expected milieu of their interaction with T- cells are characterized by low oxygen concentration, whereas the in vitro experiments usually are carried out at a much higher ambient oxygen (20%). We firstly evaluated immunomodulatory effects of MSCs on T-cells at tissue-related oxygen (5%) after interaction implied cell-to-cell contacts and paracrine factors only. It turned out that MSCs under reduced oxygen can effectively suppress the activation and proliferation of PHAstimulated T-cells and can provoke decrease in the production of proinflammatory and increase in anti-inflammatory cytokines. In hypoxia some effects were amplified (inhibition of proliferation, antiinflammatory cytokine profile shift). This impact was more evident after direct cell-to-cell interaction; lack of intercellular contacts could revoke the potentiating effect of hypoxia.

Keywords: Cell-to-cell interaction, low oxygen, MSC immunosuppression, T-cells.

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1224 Sustainable Ecosystem of Regional Development, Infrastructure and Tourism in Major Countries and Cities in Asia

Authors: Kwok Tak Kit

Abstract:

In view of the global population is increasing; it is the prime concern of government and community to diversify the dense population to regional area and maintain a healthy and sustained economic growth. This paper is to outline the interaction of different attributes which critically affect regional development, infrastructure and tourism. This research not only focused on the relation and interaction of regional development and associated infrastructure but also provides a holistic study and review of the ecosystem of regional development, infrastructure and tourism development. In this study, we will review the three aspects development and their interaction in different cities in Asia. The finding will demonstrate how those factors affect the ecosystem and sustainability and provide some insight and material for further review and discussion.

Keywords: Regional development, infrastructure, sustainability, tourism.

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1223 Dynamic Soil-Structure Interaction Analysis of Reinforced Concrete Buildings

Authors: Abdelhacine Gouasmia, Abdelhamid Belkhiri, Allaeddine Athmani

Abstract:

The objective of this paper is to evaluate the effects of soil-structure interaction (SSI) on the modal characteristics and on the dynamic response of current structures. The objective is on the overall behaviour of a real structure of five storeys reinforced concrete (R/C) building typically encountered in Algeria. Sensitivity studies are undertaken in order to study the effects of frequency content of the input motion, frequency of the soil-structure system, rigidity and depth of the soil layer on the dynamic response of such structures. This investigation indicated that the rigidity of the soil layer is the predominant factor in soil-structure interaction and its increases would definitely reduce the deformation in the R/C structure. On the other hand, increasing the period of the underlying soil will cause an increase in the lateral displacements at story levels and create irregularity in the distribution of story shears. Possible resonance between the frequency content of the input motion and soil could also play an important role in increasing the structural response.

Keywords: Direct method, finite element method, foundation, R/C frame, soil-structure interaction.

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1222 Effect of Polymer Molecular Structures on Properties of Dental Cement Restoratives

Authors: Dong Xie, Jun Zhao, Yiming Weng

Abstract:

The objective of this study was to synthesize and characterize the poly(alkenoic acid)s with different molecular structures, use these polymers to formulate a dental cement restorative, and study the effect of molecular structures on reaction kinetics, viscosity, and mechanical strengths of the formed polymers and cement restoratives. In this study, poly(alkenoic acid)s with different molecular structures were synthesized. The purified polymers were formulated with commercial Fuji II LC glass fillers to form the experimental cement restoratives. The reaction kinetics was studied via 1HNMR spectroscopy. The formed restoratives were evaluated using compressive strength, diametral tensile strength, flexural strength, hardness and wear-resistance tests. Specimens were conditioned in distilled water at 37oC for 24 h prior to testing. Fuji II LC restorative was used as control. The results show that the higher the arm number and initiator concentration, the faster the reaction was. It was also found that the higher the arm number and branching that the polymer had, the lower the viscosity of the polymer in water and the lower the mechanical strengths of the formed restorative. The experimental restoratives were 31-53% in compressive strength, 37- 55% in compressive modulus, 80-126% in diametral tensile strength, 76-94% in flexural strength, 4-21% in fracture toughness and 53-96% in hardness higher than Fuji II LC. For wear test, the experimental restoratives were only 5.4-13% of abrasive and 6.4-12% of attritional wear depths of Fuji II LC in each wear cycle. The aging study also showed that all the experimental restoratives increased their strength continuously during 30 days, unlike Fuji II LC. It is concluded that polymer molecular structures have significant and positive impact on mechanical properties of dental cement restoratives.

Keywords: Poly(alkenoic acid)s, molecular structures, dental cement, mechanical strength.

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1221 Molecular Dynamics Simulation of the Effect of the Solid Gas Interface Nanolayer on Enhanced Thermal Conductivity of Copper-CO2 Nanofluid

Authors: Zeeshan Ahmed, Ajinkya Sarode, Pratik Basarkar, Atul Bhargav, Debjyoti Banerjee

Abstract:

The use of CO2 in oil recovery and in CO2 capture and storage is gaining traction in recent years. These applications involve heat transfer between CO2 and the base fluid, and hence, there arises a need to improve the thermal conductivity of CO2 to increase the process efficiency and reduce cost. One way to improve the thermal conductivity is through nanoparticle addition in the base fluid. The nanofluid model in this study consisted of copper (Cu) nanoparticles in varying concentrations with CO2 as a base fluid. No experimental data are available on thermal conductivity of CO2 based nanofluid. Molecular dynamics (MD) simulations are an increasingly adopted tool to perform preliminary assessments of nanoparticle (NP) fluid interactions. In this study, the effect of the formation of a nanolayer (or molecular layering) at the gas-solid interface on thermal conductivity is investigated using equilibrium MD simulations by varying NP diameter and keeping the volume fraction (1.413%) of nanofluid constant to check the diameter effect of NP on the nanolayer and thermal conductivity. A dense semi-solid fluid layer was seen to be formed at the NP-gas interface, and the thickness increases with increase in particle diameter, which also moves with the NP Brownian motion. Density distribution has been done to see the effect of nanolayer, and its thickness around the NP. These findings are extremely beneficial, especially to industries employed in oil recovery as increased thermal conductivity of CO2 will lead to enhanced oil recovery and thermal energy storage.

Keywords: Copper-CO2 nanofluid, molecular interfacial layer, thermal conductivity, molecular dynamic simulation.

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1220 X-ray Crystallographic Analysis of MinC N-Terminal Domain from Escherichia coli

Authors: Jun Yop An, Kyoung Ryoung Park, Jung-Gyu Lee, Hyung-Seop Youn, Jung-Yeon Kang, Gil Bu Kang, Soo Hyun Eom

Abstract:

MinC plays an important role in bacterial cell division system by inhibiting FtsZ assembly. However, the molecular mechanism of the action is poorly understood. E. coli MinC Nterminus domain was purified and crystallized using 1.4 M sodium citrate pH 6.5 as a precipitant. X-ray diffraction data was collected and processed to 2.3 Å from a native crystal. The crystal belonged to space group P212121, with the unit cell parameters a = 52.7, b = 54.0, c = 64.7 Å. Assuming the presence of two molecules in the asymmetric unit, the Matthews coefficient value is 1.94 Å3 Da-1, which corresponds to a solvent content of 36.5%. The overall structure of MinCN is observed as a dimer form through anti-parallel ß-strand interaction.

Keywords: MinC, Cell division, Crystallization.

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1219 Endothelial-Cell-Mediated Displacement of Extracellular Matrix during Angiogenesis

Authors: Yue Du, Sahan C. B. Herath, Qing-Guo Wang, Harry Asada, Peter C. Y. Chen

Abstract:

Mechanical interaction between endothelial cells (ECs) and the extracellular matrix (or collagen gel) is known to influence the sprouting response of endothelial cells during angiogenesis. This influence is believed to impact on the capability of endothelial cells to sense soluble chemical cues. Quantitative analysis of endothelial-cell-mediated displacement of the collagen gel provides a means to explore this mechanical interaction. Existing analysis in this context is generally limited to 2D settings. In this paper, we investigate the mechanical interaction between endothelial cells and the extracellular matrix in terms of the endothelial-cellmediated displacement of the collagen gel in both 2D and 3D. Digital image correlation and Digital volume correlation are applied on confocal reflectance image stacks to analyze cell-mediated displacement of the gel. The skeleton of the sprout is extracted from phase contrast images and superimposed on the displacement field to further investigate the link between the development of the sprout and the displacement of the gel.

Keywords: Angiogenesis, digital image correlation, digital volume correlation, interaction between ECs and ECM.

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1218 Humans as Enrichment: Human-Animal Interactions and the Perceived Benefit to the Cheetah (Acinonyx jubatus), Human and Zoological Establishment

Authors: S. J. Higgs, E. Van Eck, K. Heynis, S. H. Broadberry

Abstract:

Engagement with non-human animals is a rapidly-growing field of study within the animal science and social science sectors, with human-interactions occurring in many forms; interactions, encounters and animal-assisted therapy. To our knowledge, there has been a wide array of research published on domestic and livestock human-animal interactions, however, there appear to be fewer publications relating to zoo animals and the effect these interactions have on the animal, human and establishment. The aim of this study was to identify if there were any perceivable benefits from the human-animal interaction for the cheetah, the human and the establishment. Behaviour data were collected before, during and after the interaction on the behaviour of the cheetah and the human participants to highlight any trends with nine interactions conducted. All 35 participants were asked to fill in a questionnaire prior to the interaction and immediately after to ascertain if their perceptions changed following an interaction with the cheetah. An online questionnaire was also distributed for three months to gain an understanding of the perceptions of human-animal interactions from members of the public, gaining 229 responses. Both questionnaires contained qualitative and quantitative questions to allow for specific definitive answers to be analysed, but also expansion on the participants perceived perception of human-animal interactions. In conclusion, it was found that participants’ perceptions of human-animal interactions saw a positive change, with 64% of participants altering their opinion and viewing the interaction as beneficial for the cheetah (reduction in stress assumed behaviours) following participation in a 15-minute interaction. However, it was noted that many participants felt the interaction lacked educational values and therefore this is an area in which zoological establishments can work to further improve upon. The results highlighted many positive benefits for the human, animal and establishment, however, the study does indicate further areas for research in order to promote positive perceptions of human-animal interactions and to further increase the welfare of the animal during these interactions, with recommendations to create and regulate legislation.

Keywords: Acinonyx jubatus, encounters, human-animal interactions, perceptions, zoological establishments.

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1217 Social Interaction Dynamics Exploration: The Case Study of El Sherouk City

Authors: Nardine El Bardisy, Wolf Reuter, Ayat Ismail

Abstract:

In Egypt, there is continuous housing demand as a result of rapid population growth. In 1979, this forced the government to establish new urban communities in order to decrease stress around delta. New Urban Communities Authority (NUCA) was formulated to take the responsibly of this new policy. These communities suffer from social life deficiency due to their typology, which is separated island with barriers. New urban communities’ typology results from the influence of neoliberalism movement and modern city planning forms. The lack of social interaction in these communities at present should be enhanced in the future. On a global perspective, sustainable development calls for creating more sustainable communities which include social, economic and environmental aspects. From 1960, planners were highly focusing on the promotion of the social dimension in urban development plans. The research hypothesis states: “It is possible to promote social interaction in new urban communities through a set of socio-spatial recommended strategies that are tailored for Greater Cairo Region context”. In order to test this hypothesis, the case of El-Sherouk city is selected, which represents the typical NUCA development plans. Social interaction indicators were derived from literature and used to explore different social dynamics in the selected case. The tools used for exploring case study are online questionnaires, face to face questionnaires, interviews, and observations. These investigations were analyzed, conclusions and recommendations were set to improve social interaction.

Keywords: New urban communities, modern planning, social Interaction, Social life.

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1216 Preparation of Low-Molecular-Weight 6-Amino-6-Deoxychitosan (LM6A6DC) for Immobilization of Growth Factor

Authors: Koo-Yeon Kim, Eun-Hye Kim, Tae-Il Son

Abstract:

Epidermal Growth Factor (EGF, Mw=6,045) has been reported to have high efficiency of wound repair and anti-wrinkle effect. However, the half-life of EGF in the body is too short to exert the biological activity effectively when applied in free form. Growth Factors can be stabilized by immobilization with carbohydrates from thermal and proteolytic degradation. Low molecular weight chitosan (LMCS) and its derivate prepared by hydrogen peroxide has high solubility. LM6A6DC was successfully prepared as a reactive carbohydrate for the stabilization of EGF by the reactions of LMCS with alkalization, tosylation, azidation and reduction. The structure of LM6A6DC was confirmed by FT-IR, 1H NMR and elementary analysis. For enhancing the stability of free EGF, EGF was attached with LM6A6DC by using water-soluble carbodiimide. EGF-LM6A6DC conjugates did not show any cytotoxicity on the Normal Human Dermal Fibroblast (NHDF) 3T3 proliferation at least under 100 μg/ml. In the result, it was considered that LM6A6DC is suitable to immobilize of growth factor.

Keywords: Epidermal growth factor (EGF), low-molecular-weight chitosan, immobilization.

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1215 Interaction between Unsteady Supersonic Jet and Vortex Rings

Authors: Kazumasa Kitazono, Hiroshi Fukuoka, Nao Kuniyoshi, Minoru Yaga, Eri Ueno, Naoaki Fukuda, Toshio Takiya

Abstract:

The unsteady supersonic jet formed by a shock tube with a small high-pressure chamber was used as a simple alternative model for pulsed laser ablation. Understanding the vortex ring formed by the shock wave is crucial in clarifying the behavior of unsteady supersonic jet discharged from an elliptical cell. Therefore, this study investigated the behavior of vortex rings and a jet. The experiment and numerical calculation were conducted using the schlieren method and by solving the axisymmetric two-dimensional compressible Navier–Stokes equations, respectively. In both, the calculation and the experiment, laser ablation is conducted for a certain duration, followed by discharge through the exit. Moreover, a parametric study was performed to demonstrate the effect of pressure ratio on the interaction among vortex rings and the supersonic jet. The interaction between the supersonic jet and the vortex rings increased the velocity of the supersonic jet up to the magnitude of the velocity at the center of the vortex rings. The interaction between the vortex rings increased the velocity at the center of the vortex ring.

Keywords: Computational fluid dynamics, shock wave, unsteady jet, vortex ring.

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1214 Increase of Atmosphere CO2 Concentration and Its Effects on Culture/Weed Interaction

Authors: J. I. Santos, A. E. Cesarin, C. A. R. Sales, M. B. B. Triano, P. F. R. B. Martins, A. F. Braga, N. J. Neto, A., A. M. Barroso, P. L. C. A. Alves, C. A. M. Huaman

Abstract:

Climate change projections based on the emission of greenhouse effect gases suggest an increase in the concentration of atmospheric carbon dioxide, in up to 750 ppm. In this scenario, we have significant changes in plant development, and consequently, in agricultural systems. This study aims to evaluate the interaction between culture (Glycine max) and weed (Amaranthus viridis and Euphorbia heterophylla) in two conditions of CO2, 400 and 800 ppm. The results showed that the coexistence of culture with both weed species resulted in a mutual loss, with decrease in dry mass productivity of culture + weeds, in both conditions of CO2. However, when the culture is grown in association with E. heterophylla, total dry mass of culture + weed was smaller at 800 ppm. Soybean was more aggressive in comparison to the A. viridis in both the concentrations of CO2, but not in relation to the E. heterophylla.

Keywords: Plants interaction, increase of [CO2], plants of metabolism C3, Glycine max.

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1213 Further Investigation of α+12C and α+16O Elastic Scattering

Authors: Sh. Hamada

Abstract:

The current work aims to study the rainbow like-structure observed in the elastic scattering of alpha particles on both 12C and 16O nuclei. We reanalyzed the experimental elastic scattering angular distributions data for α+12C and α+16O nuclear systems at different energies using both optical model and double folding potential of different interaction models such as: CDM3Y1, DDM3Y1, CDM3Y6 and BDM3Y1. Potential created by BDM3Y1 interaction model has the shallowest depth which reflects the necessity to use higher renormalization factor (Nr). Both optical model and double folding potential of different interaction models fairly reproduce the experimental data.

Keywords: Nuclear rainbow, elastic scattering, optical model, double folding, density distribution.

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1212 Evaluating the Interactions of Co2-Ionic Liquid Systems through Molecular Modeling

Authors: S. Yamini Sudha, Ashok Khanna

Abstract:

Owing to the stringent environmental legislations, CO2 capture and sequestration is one of the viable solutions to reduce the CO2 emissions from various sources. In this context, Ionic liquids (ILs) are being investigated as suitable absorption media for CO2 capture. Due to their non-evaporative, non-toxic, and non-corrosive nature, these ILs have the potential to replace the existing solvents like aqueous amine solutions for CO2 separation technologies. Thus, the present work aims at studying the important aspects such as the interactions of CO2 molecule with different anions (F-, Br-, Cl-, NO3 -, BF4 -, PF6 -, Tf2N-, and CF3SO3 -) that are commonly used in ILs through molecular modeling. In this, the minimum energy structures have been obtained using Ab initio based calculations at MP2 (Moller-Plesset perturbation) level. Results revealed various degrees of distortion of CO2 molecule (from its linearity) with the anions studied, most likely due to the Lewis acid-base interactions between CO2 and anion. Furthermore, binding energies for the anion-CO2 complexes were also calculated. The implication of anion-CO2 interactions to the solubility of CO2 in ionic liquids is also discussed.

Keywords: CO2, Ionic liquids, capture, molecular modeling, sequestration.

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1211 Vortex Wake Formation and Its Effects on Thrust and Propulsive Efficiency of an Oscillating Airfoil

Authors: Ahmet Selim Durna, Bayram Celik, Aydin Misirlioglu

Abstract:

Flows over a harmonically oscillating NACA 0012 airfoil are simulated here using a two-dimensional, unsteady, incompressibleNavier-Stokes solver.Both pure-plunging and pitching-plunging combined oscillations are considered at a Reynolds number of 5000. Special attention is paid to the vortex shedding and interaction mechanism of the motions. For all the simulations presented here, the reduced frequency (k) is fixed at a value of 2.5 and plunging amplitude (h) is selected to be in the range of 0.2-0.5. The simulation results show that the interaction mechanism between the leading and trailing edge vortices has a decisive effect on the values of the resulting thrust and propulsive efficiency.

Keywords: pithing and plunging airfoil, leading edge vortex, trailing edge vortex, vortex interaction, wake structure.

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1210 Investigation about Mechanical Equipment Needed to Break the Molecular Bonds of Heavy Oil by Using Hydrodynamic Cavitation

Authors: Mahdi Asghari

Abstract:

The cavitation phenomenon is the formation and production of micro-bubbles and eventually the bursting of the micro-bubbles inside the liquid fluid, which results in localized high pressure and temperature, causing physical and chemical fluid changes. This pressure and temperature are predicted to be 2000 atmospheres and 5000 °C, respectively. As a result of small bubbles bursting from this process, temperature and pressure increase momentarily and locally, so that the intensity and magnitude of these temperatures and pressures provide the energy needed to break the molecular bonds of heavy compounds such as fuel oil. In this paper, we study the theory of cavitation and the methods of cavitation production by acoustic and hydrodynamic methods and the necessary mechanical equipment and reactors for industrial application of the hydrodynamic cavitation method to break down the molecular bonds of the fuel oil and convert it into useful and economical products.

Keywords: Cavitation, hydrodynamic cavitation, cavitation reactor, fuel oil.

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1209 3D Spatial Interaction with the Wii Remote for Head-Mounted Display Virtual Reality

Authors: Yang-Wai Chow

Abstract:

This research investigates the design of a low-cost 3D spatial interaction approach using the Wii Remote for immersive Head-Mounted Display (HMD) virtual reality. Current virtual reality applications that incorporate the Wii Remote are either desktop virtual reality applications or systems that use large screen displays. However, the requirements for an HMD virtual reality system differ from such systems. This is mainly because in HMD virtual reality, the display screen does not remain at a fixed location. The user views the virtual environment through display screens that are in front of the user-s eyes and when the user moves his/her head, these screens move as well. This means that the display has to be updated in realtime based on where the user is currently looking. Normal usage of the Wii Remote requires the controller to be pointed in a certain direction, typically towards the display. This is too restrictive for HMD virtual reality systems that ideally require the user to be able to turn around in the virtual environment. Previous work proposed a design to achieve this, however it suffered from a number of drawbacks. The aim of this study is to look into a suitable method of using the Wii Remote for 3D interaction in a space around the user for HMD virtual reality. This paper presents an overview of issues that had to be considered, the system design as well as experimental results.

Keywords: 3D interaction, head-mounted display, virtual reality, Wii remote

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1208 Phase Transition and Molecular Polarizability Studies in Liquid Crystalline Mixtures

Authors: M. Shahina, K. Fakruddin, C. M. Subhan, S. Rangappa

Abstract:

In this work, two mixtures with equal concentrations of 1) 4ꞌ-(6-(4-(pentylamino) methyl)-3-hydroxyphenoxy) hexyloxy) biphenyl-4-carbonitrile+-4-((4-(hexyloxy) benzylidene) amino) phenyl 4-butoxy benzoate and 2) 4ꞌ - (6-(4-(hexylamino) methyl)-3-hydroxyphenoxy) hexyloxy) biphenyl-4-carbonitrile+-4-((4-(octyloxy) benzylidene) amino) phenyl 4-butoxy benzoate, have been prepared. The transition temperature and optical texture are observed by using thermal microscopy. Density and birefringence studies are carried out on the above liquid crystalline mixtures. Using density and refractive indices data, the molecular polarizabilities are evaluated by using well-known Vuks and Neugebauer models. The molecular polarizability is also evaluated theoretically by Lippincott δ function model. The results reveal that the polarizability values are same in both experimental and theoretical methods.

Keywords: Liquid crystals, optical textures, transition temperature, birefringence, polarizability.

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1207 Coupling Concept of two Parallel Research Codes for Two and Three Dimensional Fluid Structure Interaction Analysis

Authors: Luciano Garelli, Marco Schauer, Jorge D’Elia, Mario A. Storti, Sabine C. Langer

Abstract:

This paper discuss a coupling strategy of two different software packages to provide fluid structure interaction (FSI) analysis. The basic idea is to combine the advantages of the two codes to create a powerful FSI solver for two and three dimensional analysis. The fluid part is computed by a program called PETSc-FEM a software developed at Centro de Investigaci´on de M´etodos Computacionales –CIMEC. The structural part of the coupled process is computed by the research code elementary Parallel Solver – (ELPASO) of the Technische Universit¨at Braunschweig, Institut f¨ur Konstruktionstechnik (IK).

Keywords: Computational Fluid Dynamics (CFD), Fluid Structure Interaction (FSI), Finite Element Method (FEM).

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1206 Aggressive Interactions in Hospital Emergency Units

Authors: C. Blatier, M. El Methni, F. Carpentier, S. Abdellaoui, C. Kock, M. Maillard

Abstract:

International literature emphasizes on the concern regarding the phenomenon of aggression in hospital. This paper focuses on the reality of aggressive interactions reigning within an emergency triage involving three chaps of protagonists: the professionals, the patients and their carers. The data collection was made from a grid of observation, in which the various variables exposed in the literature were integrated. They observations took place around the clock, for three weeks, at the rate of one week a month. In this research 331 aggressive interactions have been listed and analyzed by means of the software SPSS. This research is one of the very few continuous observation surveys in the literature. It shows the various human factors at play in the emergence of aggressive interaction. The data may be used both for taking steps in primary prevention, thanks to the analysis of interaction modes, and in secondary prevention by integrating the useful results in situational prevention.

Keywords: Aggressive interaction, emergency unit, observational study.

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1205 Response of Buildings with Soil-Structure Interaction with Varying Soil Types

Authors: Shreya Thusoo, Karan Modi, Rajesh Kumar, Hitesh Madahar

Abstract:

Over the years, it has been extensively established that the practice of assuming a structure being fixed at base, leads to gross errors in evaluation of its overall response due to dynamic loadings and overestimations in design. The extent of these errors depends on a number of variables; soil type being one of the major factor. This paper studies the effect of Soil Structure Interaction (SSI) on multistorey buildings with varying under-laying soil types after proper validation of the effect of SSI. Analysis for soft, stiff and very stiff base soils has been carried out, using a powerful Finite Element Method (FEM) software package ANSYS v14.5. Results lead to some very important conclusions regarding time period, deflection and acceleration responses.

Keywords: Dynamic response, multi-storey building, Soil-Structure Interaction.

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1204 Mixture Design Experiment on Flow Behaviour of O/W Emulsions as Affected by Polysaccharide Interactions

Authors: Nor Hayati Ibrahim, Yaakob B. Che Man, Chin Ping Tan, Nor Aini Idris

Abstract:

Interaction effects of xanthan gum (XG), carboxymethyl cellulose (CMC), and locust bean gum (LBG) on the flow properties of oil-in-water emulsions were investigated by a mixture design experiment. Blends of XG, CMC and LBG were prepared according to an augmented simplex-centroid mixture design (10 points) and used at 0.5% (wt/wt) in the emulsion formulations. An appropriate mathematical model was fitted to express each response as a function of the proportions of the blend components that are able to empirically predict the response to any blend of combination of the components. The synergistic interaction effect of the ternary XG:CMC:LBG blends at approximately 33-67% XG levels was shown to be much stronger than that of the binary XG:LBG blend at 50% XG level (p < 0.05). Nevertheless, an antagonistic interaction effect became significant as CMC level in blends was more than 33% (p < 0.05). Yield stress and apparent viscosity (at 10 s-1) responses were successfully fitted with a special quartic model while flow behaviour index and consistency coefficient were fitted with a full quartic model (R2 adjusted ≥ 0.90). This study found that a mixture design approach could serve as a valuable tool in better elucidating and predicting the interaction effects beyond the conventional twocomponent blends.

Keywords: O/W emulsions, flow behavior, polysaccharideinteraction, mixture design.

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1203 A Laser Point Interaction System Integrating Mouse Functions

Authors: Ching-Sheng Wang, Lun-Ping Hung, Sheng-Yu Peng, Li-Chieh Cheng

Abstract:

The computer has become an essential tool in modern life, and the combined use of a computer with a projector is very common in teaching and presentations. However, as typical computer operating devices involve a mouse or keyboard, when making presentations, users often need to stay near the computer to execute functions such as changing pages, writing, and drawing, thus, making the operation time-consuming, and reducing interactions with the audience. This paper proposes a laser pointer interaction system able to simulate mouse functions in order that users need not remain near the computer, but can directly use laser pointer operations from at a distance. It can effectively reduce the users- time spent by the computer, allowing for greater interactions with the audience.

Keywords: laser pointer, presentation, interaction, mousefunction

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1202 The Applications of Quantum Mechanics Simulation for Solvent Selection in Chemicals Separation

Authors: Attapong T., Hong-Ming Ku, Nakarin M., Narin L., Alisa L, Jirut W.

Abstract:

The quantum mechanics simulation was applied for calculating the interaction force between 2 molecules based on atomic level. For the simple extractive distillation system, it is ternary components consisting of 2 closed boiling point components (A,lower boiling point and B, higher boiling point) and solvent (S). The quantum mechanics simulation was used to calculate the intermolecular force (interaction force) between the closed boiling point components and solvents consisting of intermolecular between A-S and B-S. The requirement of the promising solvent for extractive distillation is that solvent (S) has to form stronger intermolecular force with only one component than the other component (A or B). In this study, the systems of aromatic-aromatic, aromatic-cycloparaffin, and paraffindiolefin systems were selected as the demonstration for solvent selection. This study defined new term using for screening the solvents called relative interaction force which is calculated from the quantum mechanics simulation. The results showed that relative interaction force gave the good agreement with the literature data (relative volatilities from the experiment). The reasons are discussed. Finally, this study suggests that quantum mechanics results can improve the relative volatility estimation for screening the solvents leading to reduce time and money consuming

Keywords: Extractive distillation, Interaction force, Quamtum mechanic, Relative volatility, Solvent extraction.

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1201 Study Interaction between Tin Dioxide Nanowhiskers and Ethanol Molecules in Gas Phase: Monte Carlo(MC) and Langevin Dynamics (LD) Simulation

Authors: L. Mahdavian, M. Raouf

Abstract:

Three dimensional nanostructure materials have attracted the attention of many researches because the possibility to apply them for near future devices in sensors, catalysis and energy related. Tin dioxide is the most used material for gas sensing because its three-dimensional nanostructures and properties are related to the large surface exposed to gas adsorption. We propose the use of branch SnO2 nanowhiskers in interaction with ethanol. All Sn atoms are symmetric. The total energy, potential energy and Kinetic energy calculated for interaction between SnO2 and ethanol in different distances and temperatures. The calculations achieved by methods of Langevin Dynamic and Mont Carlo simulation. The total energy increased with addition ethanol molecules and temperature so interactions between them are endothermic.

Keywords: Tin dioxide, nanowhisker, Ethanol, Langevin Dynamic and Mont Carlo Simulation.

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1200 Biaxial Buckling of Single Layer Graphene Sheet Based on Nonlocal Plate Model and Molecular Dynamics Simulation

Authors: R. Pilafkan, M. Kaffash Irzarahimi, S. F. Asbaghian Namin

Abstract:

The biaxial buckling behavior of single-layered graphene sheets (SLGSs) is studied in the present work. To consider the size-effects in the analysis, Eringen’s nonlocal elasticity equations are incorporated into classical plate theory (CLPT). A Generalized Differential Quadrature Method (GDQM) approach is utilized and numerical solutions for the critical buckling loads are obtained. Then, molecular dynamics (MD) simulations are performed for a series of zigzag SLGSs with different side-lengths and with various boundary conditions, the results of which are matched with those obtained by the nonlocal plate model to numerical the appropriate values of nonlocal parameter relevant to each type of boundary conditions.

Keywords: Biaxial buckling, single-layered graphene sheets, nonlocal elasticity, molecular dynamics simulation, classical plate theory.

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