Search results for: energy models
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 14097

Search results for: energy models

8517 Fuel Oxidation Reactions: Pathways and Reactive Intermediates Characterization via Synchrotron Photoionization Mass Spectrometry

Authors: Giovanni Meloni

Abstract:

Recent results are presented from experiments carried out at the Advanced Light Source (ALS) at the Chemical Dynamics Beamline of Lawrence Berkeley National Laboratory using multiplexed synchrotron photoionization mass spectrometry. The reaction mixture and a buffer gas (He) are introduced through individually calibrated mass flow controllers into a quartz slow flow reactor held at constant pressure and temperature. The gaseous mixture effuses through a 650 μm pinhole into a 1.5 mm skimmer, forming a molecular beam that enters a differentially pumped ionizing chamber. The molecular beam is orthogonally intersected by a tunable synchrotron radiation produced by the ALS in the 8-11 eV energy range. Resultant ions are accelerated, collimated, and focused into an orthogonal time-of-flight mass spectrometer. Reaction species are identified by their mass-to-charge ratios and photoionization (PI) spectra. Comparison of experimental PI spectra with literature and/or simulated curves is routinely done to assure the identity of a given species. With the aid of electronic structure calculations, potential energy surface scans are performed, and Franck-Condon spectral simulations are obtained. Examples of these experiments are discussed, ranging from new intermediates characterization to reaction mechanisms elucidation and biofuels oxidation pathways identification.

Keywords: mass spectrometry, reaction intermediates, synchrotron photoionization, oxidation reactions

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8516 Geometric Design to Improve the Temperature

Authors: H. Ghodbane, A. A. Taleb, O. Kraa

Abstract:

This paper presents geometric design of induction heating system. The objective of this design is to improve the temperature distribution in the load. The study of such a device requires the use of models or modeling representation, physical, mathematical, and numerical. This modeling is the basis of the understanding, the design, and optimization of these systems. The optimization technique is to find values of variables that maximize or minimize the objective function.

Keywords: optimization, modeling, geometric design system, temperature increase

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8515 Effect of Oxygen Ion Irradiation on the Structural, Spectral and Optical Properties of L-Arginine Acetate Single Crystals

Authors: N. Renuka, R. Ramesh Babu, N. Vijayan

Abstract:

Ion beams play a significant role in the process of tuning the properties of materials. Based on the radiation behavior, the engineering materials are categorized into two different types. The first one comprises organic solids which are sensitive to the energy deposited in their electronic system and the second one comprises metals which are insensitive to the energy deposited in their electronic system. However, exposure to swift heavy ions alters this general behavior. Depending on the mass, kinetic energy and nuclear charge, an ion can produce modifications within a thin surface layer or it can penetrate deeply to produce long and narrow distorted area along its path. When a high energetic ion beam impinges on a material, it causes two different types of changes in the material due to the columbic interaction between the target atom and the energetic ion beam: (i) inelastic collisions of the energetic ion with the atomic electrons of the material; and (ii) elastic scattering from the nuclei of the atoms of the material, which is extremely responsible for relocating the atoms of matter from their lattice position. The exposure of the heavy ions renders the material return to equilibrium state during which the material undergoes surface and bulk modifications which depends on the mass of the projectile ion, physical properties of the target material, its energy, and beam dimension. It is well established that electronic stopping power plays a major role in the defect creation mechanism provided it exceeds a threshold which strongly depends on the nature of the target material. There are reports available on heavy ion irradiation especially on crystalline materials to tune their physical and chemical properties. L-Arginine Acetate [LAA] is a potential semi-organic nonlinear optical crystal and its optical, mechanical and thermal properties have already been reported The main objective of the present work is to enhance or tune the structural and optical properties of LAA single crystals by heavy ion irradiation. In the present study, a potential nonlinear optical single crystal, L-arginine acetate (LAA) was grown by slow evaporation solution growth technique. The grown LAA single crystal was irradiated with oxygen ions at the dose rate of 600 krad and 1M rad in order to tune the structural and optical properties. The structural properties of pristine and oxygen ions irradiated LAA single crystals were studied using Powder X- ray diffraction and Fourier Transform Infrared spectral studies which reveal the structural changes that are generated due to irradiation. Optical behavior of pristine and oxygen ions irradiated crystals is studied by UV-Vis-NIR and photoluminescence analyses. From this investigation we can concluded that oxygen ions irradiation modifies the structural and optical properties of LAA single crystals.

Keywords: heavy ion irradiation, NLO single crystal, photoluminescence, X-ray diffractometer

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8514 Seasonal Assessment of Snow Cover Dynamics Based on Aerospace Multispectral Data on Livingston Island, South Shetland Islands in Antarctica and on Svalbard in Arctic

Authors: Temenuzhka Spasova, Nadya Yanakieva

Abstract:

Snow modulates the hydrological cycle and influences the functioning of ecosystems and is a significant resource for many populations whose water is harvested from cold regions. Snow observations are important for validating climate models. The accumulation and rapid melt of snow are two of the most dynamical seasonal environmental changes on the Earth’s surface. The actuality of this research is related to the modern tendencies of the remote sensing application in the solution of problems of different nature in the ecological monitoring of the environment. The subject of the study is the dynamic during the different seasons on Livingstone Island, South Shetland Islands in Antarctica and on Svalbard in Arctic. The objects were analyzed and mapped according to the Еuropean Space Agency data (ESA), acquired by sensors Sentinel-1 SAR (Synthetic Aperture Radar), Sentinel 2 MSI and GIS. Results have been obtained for changes in snow coverage during the summer-winter transition and its dynamics in the two hemispheres. The data used is of high time-spatial resolution, which is an advantage when looking at the snow cover. The MSI images are with different spatial resolution at the Earth surface range. The changes of the environmental objects are shown with the SAR images and different processing approaches. The results clearly show that snow and snow melting can be best registered by using SAR data via hh- horizontal polarization. The effect of the researcher on aerospace data and technology enables us to obtain different digital models, structuring and analyzing results excluding the subjective factor. Because of the large extent of terrestrial snow coverage and the difficulties in obtaining ground measurements over cold regions, remote sensing and GIS represent an important tool for studying snow areas and properties from regional to global scales.

Keywords: climate changes, GIS, remote sensing, SAR images, snow coverage

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8513 Study on High Performance Fiber Reinforced Concrete (HPFRC) Beams on Subjected to Cyclic Loading

Authors: A. Siva, K. Bala Subramanian, Kinson Prabu

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Concrete is widely used construction materials all over the world. Now a day’s fibers are used in this construction due to its advantages like increase in stiffness, energy absorption, ductility and load carrying capacity. The fiber used in the concrete to increases the structural integrity of the member. It is one of the emerging techniques used in the construction industry. In this paper, the effective utilization of high-performance fiber reinforced concrete (HPFRC) beams has been experimental investigated. The experimental investigation has been conducted on different steel fibers (Hooked, Crimpled, and Hybrid) under cyclic loading. The behaviour of HPFRC beams is compared with the conventional beams. Totally four numbers of specimens were cast with different content of fiber concrete and compared conventional concrete. The fibers are added to the concrete by base volume replacement of concrete. The silica fume and superplasticizers were used to modify the properties of concrete. Single point loading was carried out for all the specimens, and the beam specimens were subjected to cyclic loading. The load-deflection behaviour of fibers is compared with the conventional concrete. The ultimate load carrying capacity, energy absorption and ductility of hybrid fiber reinforced concrete is higher than the conventional concrete by 5% to 10%.

Keywords: cyclic loading, ductility, high performance fiber reinforced concrete, structural integrity

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8512 Microfacies and Sedimentary Environment of Potentially Hydrocarbon-Bearing Ordovician and Silurian Deposits of Selected Boreholes in the Baltic Syneclise (NE Poland)

Authors: Katarzyna Sobczak

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Over the last few years extensive research on the Lower Palaeozic of the Baltic region has been carried out, associated with growing interest in the unconventional hydrocarbon resources of the area. The present study contributes to this investigation by providing relevant microfacies analysis of Ordovician and Silurian carbonate and clastic deposits of the Polish part of the Baltic Syneclise, using data from the Kętrzyn IG-1, Henrykowo 1 and Babiak 1 boreholes. The analytical data, encompassing sedimentological, palaeontological, and petrographic indicators enables the interpretation of the sedimentary environments and their control factors. The main microfacies types distinguished within the studied interval are: bioclastic wackestone, bioclastic packstone, carbonate-rich mudstone, marlstone, nodular limestone and bituminous claystone. The Ordovician is represented by redeposited carbonate rocks formed in a relatively high-energy environment (middle shelf setting). The Upper Ordovician-Lower Silurian rocks of the studied basin represent sedimentary succession formed during a distinctive marine transgression. Considering the sedimentological and petrological data from the Silurian, a low-energy sedimentary environment (offshore setting) with intermittent high-energy events (tempestites) can be inferred for the sedimentary basin of NE Poland. Slow sedimentation of carbonate ooze and fine-grained siliciclastic rocks, formed under oxygen-deficient conditions of the seabed, favoured organic matter preservation. The presence of the storm beds suggests an episodic nature of seabed oxygenation. A significant part of the analysed depositional successions shows characteristics indicative of deposition from gravity flows, but lacks evidence of its turbidity origins. There is, however, evidence for storms acting as a mechanism of flow activation. The discussed Ordovician-Silurian transition of depositional environments in the Baltic area fits well to the global environmental changes encompassing the Upper Ordovician and the Lower Silurian.

Keywords: Baltic Syneclise, microfacies analysis, Ordovician, Silurian, unconventional hydrocarbons

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8511 Centrifuge Modelling Approach on Sysmic Loading Analysis of Clay: A Geotechnical Study

Authors: Anthony Quansah, Tresor Ntaryamira, Shula Mushota

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Models for geotechnical centrifuge testing are usually made from re-formed soil, allowing for comparisons with naturally occurring soil deposits. However, there is a fundamental omission in this process because the natural soil is deposited in layers creating a unique structure. Nonlinear dynamics of clay material deposit is an essential part of changing the attributes of ground movements when subjected to solid seismic loading, particularly when diverse intensification conduct of speeding up and relocation are considered. The paper portrays a review of axis shaking table tests and numerical recreations to explore the offshore clay deposits subjected to seismic loadings. These perceptions are accurately reenacted by DEEPSOIL with appropriate soil models and parameters reviewed from noteworthy centrifuge modeling researches. At that point, precise 1-D site reaction investigations are performed on both time and recurrence spaces. The outcomes uncover that for profound delicate clay is subjected to expansive quakes, noteworthy increasing speed lessening may happen close to the highest point of store because of soil nonlinearity and even neighborhood shear disappointment; nonetheless, huge enhancement of removal at low frequencies are normal in any case the forces of base movements, which proposes that for dislodging touchy seaward establishments and structures, such intensified low-recurrence relocation reaction will assume an essential part in seismic outline. This research shows centrifuge as a tool for creating a layered sample important for modelling true soil behaviour (such as permeability) which is not identical in all directions. Currently, there are limited methods for creating layered soil samples.

Keywords: seismic analysis, layered modeling, terotechnology, finite element modeling

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8510 Waste Management in a Hot Laboratory of Japan Atomic Energy Agency – 1: Overview and Activities in Chemical Processing Facility

Authors: Kazunori Nomura, Hiromichi Ogi, Masaumi Nakahara, Sou Watanabe, Atsuhiro Shibata

Abstract:

Chemical Processing Facility of Japan Atomic Energy Agency is a basic research field for advanced back-end technology developments with using actual high-level radioactive materials such as irradiated fuels from the fast reactor, high-level liquid waste from reprocessing plant. In the nature of a research facility, various kinds of chemical reagents have been offered for fundamental tests. Most of them were treated properly and stored in the liquid waste vessel equipped in the facility, but some were not treated and remained at the experimental space as a kind of legacy waste. It is required to treat the waste in safety. On the other hand, we formulated the Medium- and Long-Term Management Plan of Japan Atomic Energy Agency Facilities. This comprehensive plan considers Chemical Processing Facility as one of the facilities to be decommissioned. Even if the plan is executed, treatment of the “legacy” waste beforehand must be a necessary step for decommissioning operation. Under this circumstance, we launched a collaborative research project called the STRAD project, which stands for Systematic Treatment of Radioactive liquid waste for Decommissioning, in order to develop the treatment processes for wastes of the nuclear research facility. In this project, decomposition methods of chemicals causing a troublesome phenomenon such as corrosion and explosion have been developed and there is a prospect of their decomposition in the facility by simple method. And solidification of aqueous or organic liquid wastes after the decomposition has been studied by adding cement or coagulants. Furthermore, we treated experimental tools of various materials with making an effort to stabilize and to compact them before the package into the waste container. It is expected to decrease the number of transportation of the solid waste and widen the operation space. Some achievements of these studies will be shown in this paper. The project is expected to contribute beneficial waste management outcome that can be shared world widely.

Keywords: chemical processing facility, medium- and long-term management plan of JAEA facilities, STRAD project, treatment of radioactive waste

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8509 Study on the Thermal Conductivity about Porous Materials in Wet State

Authors: Han Yan, Jieren Luo, Qiuhui Yan, Xiaoqing Li

Abstract:

The thermal conductivity of porous materials is closely related to the thermal and moisture environment and the overall energy consumption of the building. The study of thermal conductivity of porous materials has great significance for the realization of low energy consumption building and economic construction building. Based on the study of effective thermal conductivity of porous materials at home and abroad, the thermal conductivity under a variety of different density of polystyrene board (EPS), plastic extruded board (XPS) and polyurethane (PU) and phenolic resin (PF) in wet state through theoretical analysis and experimental research has been studied. Initially, the moisture absorption and desorption properties of specimens had been discussed under different density, which led a result indicates the moisture absorption of four porous materials all have three stages, fast, stable and gentle. For the moisture desorption, there are two types. One is the existence of the rapid phase of the stage, such as XPS board, PU board. The other one does not have the fast desorption, instead, it is more stabilized, such as XPS board, PF board. Furthermore, the relationship between water content and thermal conductivity of porous materials had been studied and fitted, which figured out that in the wake of the increasing water content, the thermal conductivity of porous material is continually improving. At the same time, this result also shows, in different density, when the same kind of materials decreases, the saturated moisture content increases. Finally, the moisture absorption and desorption properties of the four kinds of materials are compared comprehensively, and it turned out that the heat preservation performance of PU board is the best, followed by EPS board, XPS board, PF board.

Keywords: porous materials, thermal conductivity, moisture content, transient hot-wire method

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8508 Sustainable Housing Framework for the Czech Republic: A Comparative Analysis of International and National Strategies

Authors: Jakub Adamec, Svatava Janouskova, Tomas Hak

Abstract:

The necessity of sustainable housing is explicitly embedded in ‘The 2030 agenda for sustainable development’, in particular, goal 11 ‘sustainable cities and communities’. Every UN member state is obligated to implement strategies from the agenda, including a strategy for sustainable housing into the practice in the local context. As shown in many countries, the lack of knowledge represses the adaptation process of sustainable strategies by governments. Hence, this study explores the concept of sustainable housing within the Czech Republic. The research elaborates on this term, and its current definition concerning ‘Geneva UN Charter on Sustainable Housing’. To this day, the charter represents the most comprehensive framework for a sustainable housing concept. Researchers conducted a comparative analysis of 38 international and 195 Czech national strategic documents. As a result, the charter‘s and strategic documents‘ goals were interconnected, identifying the most represented targets (e.g. improved environmental and energy performance of dwellings, resilient urban settlements which use renewable energy, and sustainable and integrated transport systems). The research revealed, even though the concept of sustainable housing is still dominated by environmental aspects, that social aspects significantly increased its importance. Additionally, this theoretical framework will serve as a foundation for the sustainable housing index development for the Czech Republic.

Keywords: comparative analysis, Czech national strategy, Geneva un charter, sustainable housing, urban theory

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8507 Numerical Analysis of a Pilot Solar Chimney Power Plant

Authors: Ehsan Gholamalizadeh, Jae Dong Chung

Abstract:

Solar chimney power plant is a feasible solar thermal system which produces electricity from the Sun. The objective of this study is to investigate buoyancy-driven flow and heat transfer through a built pilot solar chimney system called 'Kerman Project'. The system has a chimney with the height and diameter of 60 m and 3 m, respectively, and the average radius of its solar collector is about 20 m, and also its average collector height is about 2 m. A three-dimensional simulation was conducted to analyze the system, using computational fluid dynamics (CFD). In this model, radiative transfer equation was solved using the discrete ordinates (DO) radiation model taking into account a non-gray radiation behavior. In order to modelling solar irradiation from the sun’s rays, the solar ray tracing algorithm was coupled to the computation via a source term in the energy equation. The model was validated with comparing to the experimental data of the Manzanares prototype and also the performance of the built pilot system. Then, based on the numerical simulations, velocity and temperature distributions through the system, the temperature profile of the ground surface and the system performance were presented. The analysis accurately shows the flow and heat transfer characteristics through the pilot system and predicts its performance.

Keywords: buoyancy-driven flow, computational fluid dynamics, heat transfer, renewable energy, solar chimney power plant

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8506 Inverse Matrix in the Theory of Dynamical Systems

Authors: Renata Masarova, Bohuslava Juhasova, Martin Juhas, Zuzana Sutova

Abstract:

In dynamic system theory a mathematical model is often used to describe their properties. In order to find a transfer matrix of a dynamic system we need to calculate an inverse matrix. The paper contains the fusion of the classical theory and the procedures used in the theory of automated control for calculating the inverse matrix. The final part of the paper models the given problem by the Matlab.

Keywords: dynamic system, transfer matrix, inverse matrix, modeling

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8505 GC and GCxGC-MS Composition of Volatile Compounds from Cuminum cyminum and Carum carvi by Using Techniques Assisted by Microwaves

Authors: F. Benkaci-Ali, R. Mékaoui, G. Scholl, G. Eppe

Abstract:

The new methods as accelerated steam distillation assisted by microwave (ASDAM) is a combination of microwave heating and steam distillation, performed at atmospheric pressure at very short extraction time. Isolation and concentration of volatile compounds are performed by a single stage. (ASDAM) has been compared with (ASDAM) with cryogrinding of seeds (CG) and a conventional technique, hydrodistillation assisted by microwave (HDAM), hydro-distillation (HD) for the extraction of essential oil from aromatic herb as caraway and cumin seeds. The essential oils extracted by (ASDAM) for 1 min were quantitatively (yield) and qualitatively (aromatic profile) no similar to those obtained by ASDAM-CG (1 min) and HD (for 3 h). The accelerated microwave extraction with cryogrinding inhibits numerous enzymatic reactions as hydrolysis of oils. Microwave radiations constitute the adequate mean for the extraction operations from the yields and high content in major component majority point view, and allow to minimise considerably the energy consumption, but especially heating time too, which is one of essential parameters of artifacts formation. The ASDAM and ASDAM-CG are green techniques and yields an essential oil with higher amounts of more valuable oxygenated compounds comparable to the biosynthesis compounds, and allows substantial savings of costs, in terms of time, energy and plant material.

Keywords: microwave, steam distillation, caraway, cumin, cryogrinding, GC-MS, GCxGC-MS

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8504 Dielectric Study of Lead-Free Double Perovskite Structured Polycrystalline BaFe0.5Nb0.5O3 Material

Authors: Vijay Khopkar, Balaram Sahoo

Abstract:

Material with high value of dielectric constant has application in the electronics devices. Existing lead based materials have issues such as toxicity and problem with synthesis procedure. Double perovskite structured barium iron niobate (BaFe0.5Nb0.5O3, BFN) is the lead-free material, showing a high value of dielectric constant. Origin of high value of the dielectric constant in BFN is not clear. We studied the dielectric behavior of polycrystalline BFN sample over wide temperature and frequency range. A BFN sample synthesis by conventional solid states reaction method and phase pure dens pellet was used for dielectric study. The SEM and TEM study shows the presence of grain and grain boundary region. The dielectric measurement was done between frequency range of 40 Hz to 5 MHz and temperature between 20 K to 500 K. At 500 K temperature and lower frequency, there observed high value of dielectric constant which decreases with increase in frequency. The dipolar relaxation follows non-Debye type polarization with relaxation straight of 3560 at room temperature (300 K). Activation energy calculated from the dielectric and modulus formalism found to be 17.26 meV and 2.74 meV corresponds to the energy required for the motion of Fe3+ and Nb5+ ions within the oxygen octahedra. Our study shows that BFN is the order disorder type ferroelectric material.

Keywords: barium iron niobate, dielectric, ferroelectric, non-Debye

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8503 Understanding the Processwise Entropy Framework in a Heat-powered Cooling Cycle

Authors: P. R. Chauhan, S. K. Tyagi

Abstract:

Adsorption refrigeration technology offers a sustainable and energy-efficient cooling alternative over traditional refrigeration technologies for meeting the fast-growing cooling demands. With its ability to utilize natural refrigerants, low-grade heat sources, and modular configurations, it has the potential to revolutionize the cooling industry. Despite these benefits, the commercial viability of this technology is hampered by several fundamental limiting constraints, including its large size, low uptake capacity, and poor performance as a result of deficient heat and mass transfer characteristics. The primary cause of adequate heat and mass transfer characteristics and magnitude of exergy loss in various real processes of adsorption cooling system can be assessed by the entropy generation rate analysis, i. e. Second law of Thermodynamics. Therefore, this article presents the second law of thermodynamic-based investigation in terms of entropy generation rate (EGR) to identify the energy losses in various processes of the HPCC-based adsorption system using MATLAB R2021b software. The adsorption technology-based cooling system consists of two beds made up of silica gel and arranged in a single stage, while the water is employed as a refrigerant, coolant, and hot fluid. The variation in process-wise EGR is examined corresponding to cycle time, and a comparative analysis is also presented. Moreover, the EGR is also evaluated in the external units, such as the heat source and heat sink unit used for regeneration and heat dump, respectively. The research findings revealed that the combination of adsorber and desorber, which operates across heat reservoirs with a higher temperature gradient, shares more than half of the total amount of EGR. Moreover, the EGR caused by the heat transfer process is determined to be the highest, followed by a heat sink, heat source, and mass transfer, respectively. in case of heat transfer process, the operation of the valve is determined to be responsible for more than half (54.9%) of the overall EGR during the heat transfer. However, the combined contribution of the external units, such as the source (18.03%) and sink (21.55%), to the total EGR, is 35.59%. The analysis and findings of the present research are expected to pinpoint the source of the energy waste in HPCC based adsorption cooling systems.

Keywords: adsorption cooling cycle, heat transfer, mass transfer, entropy generation, silica gel-water

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8502 Improved Production, Purification and Characterization of Invertase from Penicillium lilacinum by Shaken Flask Technique of Submerged Fermentation

Authors: Kashif Ahmed

Abstract:

Recent years researchers have been motivated towards extensive exploring of living organism, which could be utilized effectively in intense industrial conditions. The present study shows enhanced production, purification and characterization of industrial enzyme, invertase (Beta-D-fructofuranosidase) from Penicillium lilacinum. Various agricultural based by-products (cotton stalk, sunflower waste, rice husk, molasses and date syrup) were used as energy source. The highest amount of enzyme (13.05 Units/mL) was produced when the strain was cultured on growth medium containing date syrup as energy source. Yeast extract was used as nitrogen source after 96 h of incubation at incubation temperature of 40º C. Initial pH of medium was 8.0, inoculum size 6x10⁶ conidia and 200 rev/min agitation rate. The enzyme was also purified (7 folds than crude) and characterized. Molecular mass of purified enzyme (65 kDa) was determined by 10 % SDS-PAGE. Lineweaver-Burk Plot was used to determine Kinetic constants (Vmax 178.6 U/mL/min and Km 2.76 mM). Temperature and pH optima were 55º C and 5.5 respectively. MnCl₂ (52.9 %), MgSO₄ (48.9 %), BaCl₂ (24.6 %), MgCl₂ (9.6 %), CoCl₂ (5.7 %) and NaCl (4.2 %) enhanced the relative activity of enzyme and HgCl₂ (-92.8 %), CuSO₄ (-80.2 %) and CuCl₂ (-76.6 %) were proved inhibitors. The strain was showing enzyme activity even at extreme conditions of temperature (up to 60º C) and pH (up to 9), so it can be used in industries.

Keywords: invertase, Penicillium lilacinum, submerged fermentation, industrial enzyme

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8501 Predicting Loss of Containment in Surface Pipeline using Computational Fluid Dynamics and Supervised Machine Learning Model to Improve Process Safety in Oil and Gas Operations

Authors: Muhammmad Riandhy Anindika Yudhy, Harry Patria, Ramadhani Santoso

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Loss of containment is the primary hazard that process safety management is concerned within the oil and gas industry. Escalation to more serious consequences all begins with the loss of containment, starting with oil and gas release from leakage or spillage from primary containment resulting in pool fire, jet fire and even explosion when reacted with various ignition sources in the operations. Therefore, the heart of process safety management is avoiding loss of containment and mitigating its impact through the implementation of safeguards. The most effective safeguard for the case is an early detection system to alert Operations to take action prior to a potential case of loss of containment. The detection system value increases when applied to a long surface pipeline that is naturally difficult to monitor at all times and is exposed to multiple causes of loss of containment, from natural corrosion to illegal tapping. Based on prior researches and studies, detecting loss of containment accurately in the surface pipeline is difficult. The trade-off between cost-effectiveness and high accuracy has been the main issue when selecting the traditional detection method. The current best-performing method, Real-Time Transient Model (RTTM), requires analysis of closely positioned pressure, flow and temperature (PVT) points in the pipeline to be accurate. Having multiple adjacent PVT sensors along the pipeline is expensive, hence generally not a viable alternative from an economic standpoint.A conceptual approach to combine mathematical modeling using computational fluid dynamics and a supervised machine learning model has shown promising results to predict leakage in the pipeline. Mathematical modeling is used to generate simulation data where this data is used to train the leak detection and localization models. Mathematical models and simulation software have also been shown to provide comparable results with experimental data with very high levels of accuracy. While the supervised machine learning model requires a large training dataset for the development of accurate models, mathematical modeling has been shown to be able to generate the required datasets to justify the application of data analytics for the development of model-based leak detection systems for petroleum pipelines. This paper presents a review of key leak detection strategies for oil and gas pipelines, with a specific focus on crude oil applications, and presents the opportunities for the use of data analytics tools and mathematical modeling for the development of robust real-time leak detection and localization system for surface pipelines. A case study is also presented.

Keywords: pipeline, leakage, detection, AI

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8500 Enhancement of Aircraft Longitudinal Stability Using Tubercles

Authors: Muhammad Umer, Aishwariya Giri, Umaiyma Rakha

Abstract:

Mimicked from the humpback whale flippers, the application of tubercle technology is seen to be particularly advantageous at high angles of attack. This particular advantage is of paramount importance when it comes to structures producing lift at high angles of attack. This characteristic of the technology makes it ideal for horizontal stabilizers and selecting the same as the subject of study to identify and exploit the advantage highlighted by researchers on airfoils, this project aims in establishing a foundation for the application of the bio-mimicked technology on an existing aircraft. Using a baseline and 2 tubercle configuration integrated models, the project targets to achieve the twin aim of highlighting the possibility and merits over the base model and also choosing the right configuration in providing the best characteristic suitable for high angles of attack. To facilitate this study, the required models are generated using Solidworks followed by trials in a virtual aerodynamic environment using Fluent in Ansys for resolving the project objectives. Following a structured plan, the aim is to initially identify the advantages mathematically and then selecting the optimal configuration, simulate the end configuration at angles mimicking the actual operation envelope for the particular structure. Upon simulating the baseline configuration at various angles of attack, the stall angle was determined to be 22 degrees. Thus, the tubercle configurations will be simulated and compared at 4 different angles of attacks: 0, 10, 20, and 24. Further, after providing the optimum configuration of horizontal stabilizers, this study aims at the integration of aircraft structure so that the results better imply the end deliverables of real life application. This draws the project scope closer at this point into longitudinal static stability considerations and improvements in the manoeuvrability characteristics. The objective of the study is to achieve a complete overview ready for real life application with marked benefits obtainable from bio morphing of the tubercle technology.

Keywords: flow simulation, horizontal stabilizer, stability enhancement, tubercle

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8499 The Use of the TRIGRS Model and Geophysics Methodologies to Identify Landslides Susceptible Areas: Case Study of Campos do Jordao-SP, Brazil

Authors: Tehrrie Konig, Cassiano Bortolozo, Daniel Metodiev, Rodolfo Mendes, Marcio Andrade, Marcio Moraes

Abstract:

Gravitational mass movements are recurrent events in Brazil, usually triggered by intense rainfall. When these events occur in urban areas, they end up becoming disasters due to the economic damage, social impact, and loss of human life. To identify the landslide-susceptible areas, it is important to know the geotechnical parameters of the soil, such as cohesion, internal friction angle, unit weight, hydraulic conductivity, and hydraulic diffusivity. The measurement of these parameters is made by collecting soil samples to analyze in the laboratory and by using geophysical methodologies, such as Vertical Electrical Survey (VES). The geophysical surveys analyze the soil properties with minimal impact in its initial structure. Statistical analysis and mathematical models of physical basis are used to model and calculate the Factor of Safety for steep slope areas. In general, such mathematical models work from the combination of slope stability models and hydrological models. One example is the mathematical model TRIGRS (Transient Rainfall Infiltration and Grid-based Regional Slope- Stability Model) which calculates the variation of the Factor of Safety of a determined study area. The model relies on changes in pore-pressure and soil moisture during a rainfall event. TRIGRS was written in the Fortran programming language and associates the hydrological model, which is based on the Richards Equation, with the stability model based on the principle of equilibrium limit. Therefore, the aims of this work are modeling the slope stability of Campos do Jordão with TRIGRS, using geotechnical and geophysical methodologies to acquire the soil properties. The study area is located at southern-east of Sao Paulo State in the Mantiqueira Mountains and has a historic landslide register. During the fieldwork, soil samples were collected, and the VES method applied. These procedures provide the soil properties, which were used as input data in the TRIGRS model. The hydrological data (infiltration rate and initial water table height) and rainfall duration and intensity, were acquired from the eight rain gauges installed by Cemaden in the study area. A very high spatial resolution digital terrain model was used to identify the slopes declivity. The analyzed period is from March 6th to March 8th of 2017. As results, the TRIGRS model calculates the variation of the Factor of Safety within a 72-hour period in which two heavy rainfall events stroke the area and six landslides were registered. After each rainfall, the Factor of Safety declined, as expected. The landslides happened in areas identified by the model with low values of Factor of Safety, proving its efficiency on the identification of landslides susceptible areas. This study presents a critical threshold for landslides, in which an accumulated rainfall higher than 80mm/m² in 72 hours might trigger landslides in urban and natural slopes. The geotechnical and geophysics methods are shown to be very useful to identify the soil properties and provide the geological characteristics of the area. Therefore, the combine geotechnical and geophysical methods for soil characterization and the modeling of landslides susceptible areas with TRIGRS are useful for urban planning. Furthermore, early warning systems can be developed by combining the TRIGRS model and weather forecast, to prevent disasters in urban slopes.

Keywords: landslides, susceptibility, TRIGRS, vertical electrical survey

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8498 Finite Element Modeling and Mechanical Properties of Aluminum Proceed by Equal Channel Angular Pressing Process

Authors: F. Al-Mufadi, F. Djavanroodi

Abstract:

During the last decade ultrafine grained (UFG) and nano-structured (NS) materials have experienced a rapid development. In this research work finite element analysis has been carried out to investigate the plastic strain distribution in equal channel angular process (ECAP). The magnitudes of standard deviation (S. D.) and inhomogeneity index (Ci) were compared for different ECAP passes. Verification of a three-dimensional finite element model was performed with experimental tests. Finally the mechanical property including impact energy of ultrafine grained pure commercially pure Aluminum produced by severe plastic deformation method has been examined. For this aim, equal channel angular pressing die with the channel angle, outer corner angle and channel diameter of 90°, 20° and 20 mm had been designed and manufactured. Commercial pure Aluminum billets were ECAPed up to four passes by route BC at the ambient temperature. The results indicated that there is a great improvement at the hardness measurement, yield strength and ultimate tensile strength after ECAP process. It is found that the magnitudes of HV reach 67 HV from 21 HV after the final stage of process. Also, about 330% and 285% enhancement at the YS and UTS values have been obtained after the fourth pass as compared to the as-received conditions, respectively. On the other hand, the elongation to failure and impact energy have been reduced by 23% and 50% after imposing four passes of ECAP process, respectively.

Keywords: SPD, ECAP, FEM, pure Al, mechanical properties

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8497 Review of Vertical Axis Wind Turbine

Authors: Amare Worku, Harikrishnan Muralidharan

Abstract:

The research for more environmentally friendly sources of energy is a result of growing environmental awareness. In this aspect, wind energy is a very good option and there are two different wind turbines, horizontal axis wind turbine (HAWT) and vertical axis turbine (VAWT). For locations outside of integrated grid networks, vertical axis wind turbines (VAWT) present a feasible solution. However, those turbines have several drawbacks related to various setups, VAWT has a very low efficiency when compared with HAWT, but they work under different conditions and installation areas. This paper reviewed numerous measurements taken to improve the efficiency of VAWT configurations, either directly or indirectly related to the performance efficiency of the turbine. Additionally, the comparison and advantages of HAWT and VAWT turbines and also the findings of the design methodologies used for the VAWT design have been reviewed together with efficiency enhancement revision. Most of the newly modified designs are based on the turbine blade structure modification but need other studies on behalf other than electromechanical modification. Some of the techniques, like continuous variation of pitch angle control and swept area control, are not the most effective since VAWT is Omni-directional, and so wind direction is not a problem like HAWT. Hybrid system technology has become one of the most important and efficient methods to enhance the efficiency of VAWT. Besides hybridization, the contra-rotating method is also good if the installation area is big enough in an urban area.

Keywords: wind turbine, horizontal axis wind turbine, vertical axis wind turbine, hybridization

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8496 Removal of Cr (VI) from Water through Adsorption Process Using GO/PVA as Nanosorbent

Authors: Syed Hadi Hasan, Devendra Kumar Singh, Viyaj Kumar

Abstract:

Cr (VI) is a known toxic heavy metal and has been considered as a priority pollutant in water. The effluent of various industries including electroplating, anodizing baths, leather tanning, steel industries and chromium based catalyst are the major source of Cr (VI) contamination in the aquatic environment. Cr (VI) show high mobility in the environment and can easily penetrate cell membrane of the living tissues to exert noxious effects. The Cr (VI) contamination in drinking water causes various hazardous health effects to the human health such as cancer, skin and stomach irritation or ulceration, dermatitis, damage to liver, kidney circulation and nerve tissue damage. Herein, an attempt has been done to develop an efficient adsorbent for the removal of Cr (VI) from water. For this purpose nanosorbent composed of polyvinyl alcohol functionalized graphene oxide (GO/PVA) was prepared. Thus, obtained GO/PVA was characterized through FTIR, XRD, SEM, and Raman Spectroscopy. As prepared nanosorbent of GO/PVA was utilized for the removal Cr (VI) in batch mode experiment. The process variables such as contact time, initial Cr (VI) concentration, pH, and temperature were optimized. The maximum 99.8 % removal of Cr (VI) was achieved at initial Cr (VI) concentration 60 mg/L, pH 2, temperature 35 °C and equilibrium was achieved within 50 min. The two widely used isotherm models viz. Langmuir and Freundlich were analyzed using linear correlation coefficient (R2) and it was found that Langmuir model gives best fit with high value of R2 for the data of present adsorption system which indicate the monolayer adsorption of Cr (VI) on the GO/PVA. Kinetic studies were also conducted using pseudo-first order and pseudo-second order models and it was observed that chemosorptive pseudo-second order model described the kinetics of current adsorption system in better way with high value of correlation coefficient. Thermodynamic studies were also conducted and results showed that the adsorption was spontaneous and endothermic in nature.

Keywords: adsorption, GO/PVA, isotherm, kinetics, nanosorbent, thermodynamics

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8495 Thermodynamic Performance of a Low-Cost House Coated with Transparent Infrared Reflective Paint

Authors: Ochuko K. Overen, Edson L. Meyer

Abstract:

Uncontrolled heat transfer between the inner and outer space of low-cost housings through the thermal envelope result in indoor thermal discomfort. As a result, an excessive amount of energy is consumed for space heating and cooling. Thermo-optical properties are the ability of paints to reduce the rate of heat transfer through the thermal envelope. The aim of this study is to analyze the thermal performance of a low-cost house with its walls inner surface coated with transparent infrared reflective paint. The thermo-optical properties of the paint were analyzed using Scanning Electron Microscopy/ Energy Dispersive X-ray spectroscopy (SEM/EDX), Fourier Transform Infra-Red (FTIR) and thermal photographic technique. Meteorological indoor and ambient parameters such as; air temperature, relative humidity, solar radiation, wind speed and direction of a low-cost house in Golf-course settlement, South Africa were monitored. The monitoring period covers both winter and summer period before and after coating. The thermal performance of the coated walls was evaluated using time lag and decrement factor. The SEM image shows that the coat is transparent to light. The presence of Al as Al2O and other elements were revealed by the EDX spectrum. Before coating, the average decrement factor of the walls in summer was found to be 0.773 with a corresponding time lag of 1.3 hours. In winter, the average decrement factor and corresponding time lag were 0.467 and 1.6 hours, respectively. After coating, the average decrement factor and corresponding time lag were 0.533 and 2.3 hour, respectively in summer. In winter, an average decrement factor of 1.120 and corresponding time lag of 3 hours was observed. The findings show that the performance of the coats is influenced by the seasons. With a 74% reduction in decrement factor and 1.4 time lag increase in winter, it implies that the coatings have more ability to retain heat within the inner space of the house than preventing heat flow into the house. In conclusion, the results have shown that transparent infrared reflective paint has the ability to reduce the propagation of heat flux through building walls. Hence, it can serve as a remedy to the poor thermal performance of low-cost housings in South Africa.

Keywords: energy efficiency, decrement factor, low-cost housing, paints, rural development, thermal comfort, time lag

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8494 The Structural Behavior of Fiber Reinforced Lightweight Concrete Beams: An Analytical Approach

Authors: Jubee Varghese, Pouria Hafiz

Abstract:

Increased use of lightweight concrete in the construction industry is mainly due to its reduction in the weight of the structural elements, which in turn reduces the cost of production, transportation, and the overall project cost. However, the structural application of these lightweight concrete structures is limited due to its reduced density. Hence, further investigations are in progress to study the effect of fiber inclusion in improving the mechanical properties of lightweight concrete. Incorporating structural steel fibers, in general, enhances the performance of concrete and increases its durability by minimizing its potential to cracking and providing crack arresting mechanism. In this research, Geometric and Materially Non-linear Analysis (GMNA) was conducted for Finite Element Modelling using a software known as ABAQUS, to investigate the structural behavior of lightweight concrete with and without the addition of steel fibers and shear reinforcement. 21 finite element models of beams were created to study the effect of steel fibers based on three main parameters; fiber volume fraction (Vf = 0, 0.5 and 0.75%), shear span to depth ratio (a/d of 2, 3 and 4) and ratio of area of shear stirrups to spacing (As/s of 0.7, 1 and 1.6). The models created were validated with the previous experiment conducted by H.K. Kang et al. in 2011. It was seen that the lightweight fiber reinforcement can replace the use of fiber reinforced normal weight concrete as structural elements. The effect of an increase in steel fiber volume fraction is dominant for beams with higher shear span to depth ratio than for lower ratios. The effect of stirrups in the presence of fibers was very negligible; however; it provided extra confinement to the cracks by reducing the crack propagation and extra shear resistance than when compared to beams with no stirrups.

Keywords: ABAQUS, beams, fiber-reinforced concrete, finite element, light weight, shear span-depth ratio, steel fibers, steel-fiber volume fraction

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8493 Electrical Properties of Cement-Based Piezoelectric Nanoparticles

Authors: Moustafa Shawkey, Ahmed G. El-Deen, H. M. Mahmoud, M. M. Rashad

Abstract:

Piezoelectric based cement nanocomposite is a promising technology for generating an electric charge upon mechanical stress of concrete structure. Moreover, piezoelectric nanomaterials play a vital role for providing accurate system of structural health monitoring (SHM) of the concrete structure. In light of increasing awareness of environmental protection and energy crises, generating renewable and green energy form cement based on piezoelectric nanomaterials attracts the attention of the researchers. Herein, we introduce a facial synthesis for bismuth ferrite nanoparticles (BiFeO3 NPs) as piezoelectric nanomaterial via sol gel strategy. The fabricated piezoelectric nanoparticles are uniformly distributed to cement-based nanomaterials with different ratios. The morphological shape was characterized by field emission scanning electron microscopy (FESEM) and high-resolution transmission electron microscopy (HR-TEM) as well as the crystal structure has been confirmed using X-ray diffraction (XRD). The ferroelectric and magnetic behaviours of BiFeO3 NPs have been investigated. Then, dielectric constant for the prepared cement samples nanocomposites (εr) is calculated. Intercalating BiFeO3 NPs into cement materials achieved remarkable results as piezoelectric cement materials, distinct enhancement in ferroelectric and magnetic properties. Overall, this present study introduces an effective approach to improve the electrical properties based cement applications.

Keywords: piezoelectric nanomaterials, cement technology, bismuth ferrite nanoparticles, dielectric

Procedia PDF Downloads 237
8492 Assessing Transition to Renewable Energy for Transportation in Indonesia through Drop-in Biofuel Utilization

Authors: Maslan Lamria, Ralph E. H. Sims, Tatang H. Soerawidjaja

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In increasing its self-sufficiency on transportation fuel, Indonesia is currently developing commercial production and use of drop-in biofuel (DBF) from vegetable oil. To maximize the level of success, it is necessary to get insights on how the implementation would develop as well as any important factors. This study assessed the dynamics of transition from existing fossil fuel system to a renewable fuel system, which involves the transition from existing biodiesel to projected DBF. A systems dynamics approach was applied and a model developed to simulate the dynamics of liquid biofuel transition. The use of palm oil feedstock was taken as a case study to assess the projected DBF implementation by 2045. The set of model indicators include liquid fuel self-sufficiency, liquid biofuel share, foreign exchange savings and green-house gas emissions reduction. The model outputs showed that supports on DBF investment and use play an important role in the transition progress. Given assumptions which include application of a maximum level of supports over time, liquid fuel self-sufficiency would be still unfulfilled in which palm biofuel contribution is 0.2. Thus, other types of feedstock such as algae and oil feedstock from marginal lands need to be developed synergically. Regarding support on DBF use, this study recommended that removal of fossil subsidy would be necessary prior to applying a carbon tax policy effectively.

Keywords: biofuel, drop-in biofuel, energy transition, liquid fuel

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8491 Comparison of Stationary and Two-Axis Tracking System of 50MW Photovoltaic Power Plant in Al-Kufra, Libya: Landscape Impact and Performance

Authors: Yasser Aldali

Abstract:

The scope of this paper is to evaluate and compare the potential of LS-PV (Large Scale Photovoltaic Power Plant) power generation systems in the southern region of Libya at Al-Kufra for both stationary and tracking systems. A Microsoft Excel-VBA program has been developed to compute slope radiation, dew-point, sky temperature, and then cell temperature, maximum power output and module efficiency of the system for stationary system and for tracking system. The results for energy production show that the total energy output is 114GWh/year for stationary system and 148 GWh/year for tracking system. The average module efficiency for the stationary system is 16.6% and 16.2% for the tracking system. The values of electricity generation capacity factor (CF) and solar capacity factor (SCF) for stationary system were found to be 26% and 62.5% respectively and 34% and 82% for tracking system. The GCR (Ground Cover Ratio) for a stationary system is 0.7, which corresponds to a tilt angle of 24°. The GCR for tracking system was found to be 0.12. The estimated ground area needed to build a 50MW PV plant amounts to approx. 0.55 km2 for a stationary PV field constituted by HIT PV arrays and approx. 91 MW/km2. In case of a tracker PV field, the required ground area amounts approx. 2.4k m2 and approx. 20.5 MW/km2.

Keywords: large scale photovoltaic power plant, two-axis tracking system, stationary system, landscape impact

Procedia PDF Downloads 440
8490 A Parallel Cellular Automaton Model of Tumor Growth for Multicore and GPU Programming

Authors: Manuel I. Capel, Antonio Tomeu, Alberto Salguero

Abstract:

Tumor growth from a transformed cancer-cell up to a clinically apparent mass spans through a range of spatial and temporal magnitudes. Through computer simulations, Cellular Automata (CA) can accurately describe the complexity of the development of tumors. Tumor development prognosis can now be made -without making patients undergo through annoying medical examinations or painful invasive procedures- if we develop appropriate CA-based software tools. In silico testing mainly refers to Computational Biology research studies of application to clinical actions in Medicine. To establish sound computer-based models of cellular behavior, certainly reduces costs and saves precious time with respect to carrying out experiments in vitro at labs or in vivo with living cells and organisms. These aim to produce scientifically relevant results compared to traditional in vitro testing, which is slow, expensive, and does not generally have acceptable reproducibility under the same conditions. For speeding up computer simulations of cellular models, specific literature shows recent proposals based on the CA approach that include advanced techniques, such the clever use of supporting efficient data structures when modeling with deterministic stochastic cellular automata. Multiparadigm and multiscale simulation of tumor dynamics is just beginning to be developed by the concerned research community. The use of stochastic cellular automata (SCA), whose parallel programming implementations are open to yield a high computational performance, are of much interest to be explored up to their computational limits. There have been some approaches based on optimizations to advance in multiparadigm models of tumor growth, which mainly pursuit to improve performance of these models through efficient memory accesses guarantee, or considering the dynamic evolution of the memory space (grids, trees,…) that holds crucial data in simulations. In our opinion, the different optimizations mentioned above are not decisive enough to achieve the high performance computing power that cell-behavior simulation programs actually need. The possibility of using multicore and GPU parallelism as a promising multiplatform and framework to develop new programming techniques to speed-up the computation time of simulations is just starting to be explored in the few last years. This paper presents a model that incorporates parallel processing, identifying the synchronization necessary for speeding up tumor growth simulations implemented in Java and C++ programming environments. The speed up improvement that specific parallel syntactic constructs, such as executors (thread pools) in Java, are studied. The new tumor growth parallel model is proved using implementations with Java and C++ languages on two different platforms: chipset Intel core i-X and a HPC cluster of processors at our university. The parallelization of Polesczuk and Enderling model (normally used by researchers in mathematical oncology) proposed here is analyzed with respect to performance gain. We intend to apply the model and overall parallelization technique presented here to solid tumors of specific affiliation such as prostate, breast, or colon. Our final objective is to set up a multiparadigm model capable of modelling angiogenesis, or the growth inhibition induced by chemotaxis, as well as the effect of therapies based on the presence of cytotoxic/cytostatic drugs.

Keywords: cellular automaton, tumor growth model, simulation, multicore and manycore programming, parallel programming, high performance computing, speed up

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8489 The Effect of System Parameters on the Biogas Production from Poultry Rendering Plant Anaerobic Digesters

Authors: N. Lovanh, J. Loughrin, G. Ruiz-Aguilar

Abstract:

Animal wastes can serve as the feedstock for biogas production (mainly methane) that could be used as alternative energy source. The green energy derived from animal wastes is considered to be carbon neutral and offsetting those generated from fossil fuels. In this study, an evaluation of system parameters on methane production from anaerobic digesters utilizing poultry rendering plant wastewater was carried out. Anaerobic batch reactors and continuous flow system subjected to different operation conditions (i.e., flow rate, temperature, and etc.) containing poultry rendering wastewater were set up to evaluate methane potential from each scenario. Biogas productions were sampled and monitored by gas chromatography and photoacoustic gas analyzer over six months of operation. The results showed that methane productions increased as the temperature increased. However, there is an upper limit to the increase in the temperature on the methane production. Flow rates and type of systems (batch vs. plug-flow regime) also had a major effect on methane production. Constant biogas production was observed in plug-flow system whereas batch system produced biogas quicker and tapering off toward the end of the six-month study. Based on these results, it is paramount to consider operating conditions and system setup in optimizing biogas production from agricultural wastewater.

Keywords: anaerobic digestion, methane, poultry rendering wastewater, biotechnology

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8488 The Exploration of the Physical Properties of the Combinations of Selenium-Based Ternary Chalcogenides AScSe₂ (A=K, Cs) for Photovoltaic Applications

Authors: Ayesha Asma, Aqsa Arooj

Abstract:

It is an essential need in this era of Science and Technology to investigate some unique and appropriate materials for optoelectronic applications. Here, we deliberated, for the first time, the structural, optoelectronic, mechanical, vibrational, and thermo dynamical properties of hexagonal structure selenium-based ternary chalcogenides AScSe₂ (A= K, Cs) by using Perdew-Burke-Ernzerhof Generalized-Gradient-Approximation (PBE-GGA). The lattice angles for these materials are found as α=β=90o and γ=120o. KScSe₂ optimized with lattice parameters a=b=4.3 (Å), c=7.81 (Å) whereas CsScSe₂ got relaxed at a=b=4.43 (Å) and c=8.51 (Å). However, HSE06 functional has overestimated the lattice parameters to the extent that for KScSe₂ a=b=4.92 (Å), c=7.10 (Å), and CsScSe₂ a=b=5.15 (Å), c=7.09 (Å). The energy band gap of these materials calculated via PBE-GGA and HSE06 functionals confirms their semiconducting nature. Concerning Born’s criteria, these materials are mechanically stable ones. Moreover, the temperature dependence of thermodynamic potentials and specific heat at constant volume are also determined while using the harmonic approximation. The negative values of free energy ensure their thermodynamic stability. The vibrational modes are calculated by plotting the phonon dispersion and the vibrational density of states (VDOS), where infrared (IR) and Raman spectroscopy are used to characterize the vibrational modes. The various optical parameters are examined at a smearing value of 0.5eV. These parameters unveil that these materials are good absorbers of incident light in ultra-violet (UV) regions and may be utilized in photovoltaic applications.

Keywords: structural, optimized, vibrational, ultraviolet

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