Search results for: mathematical music modelling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3809

Search results for: mathematical music modelling

419 Ocean Planner: A Web-Based Decision Aid to Design Measures to Best Mitigate Underwater Noise

Authors: Thomas Folegot, Arnaud Levaufre, Léna Bourven, Nicolas Kermagoret, Alexis Caillard, Roger Gallou

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Concern for negative impacts of anthropogenic noise on the ocean’s ecosystems has increased over the recent decades. This concern leads to a similar increased willingness to regulate noise-generating activities, of which shipping is one of the most significant. Dealing with ship noise requires not only knowledge about the noise from individual ships, but also how the ship noise is distributed in time and space within the habitats of concern. Marine mammals, but also fish, sea turtles, larvae and invertebrates are mostly dependent on the sounds they use to hunt, feed, avoid predators, during reproduction to socialize and communicate, or to defend a territory. In the marine environment, sight is only useful up to a few tens of meters, whereas sound can propagate over hundreds or even thousands of kilometers. Directive 2008/56/EC of the European Parliament and of the Council of June 17, 2008 called the Marine Strategy Framework Directive (MSFD) require the Member States of the European Union to take the necessary measures to reduce the impacts of maritime activities to achieve and maintain a good environmental status of the marine environment. The Ocean-Planner is a web-based platform that provides to regulators, managers of protected or sensitive areas, etc. with a decision support tool that enable to anticipate and quantify the effectiveness of management measures in terms of reduction or modification the distribution of underwater noise, in response to Descriptor 11 of the MSFD and to the Marine Spatial Planning Directive. Based on the operational sound modelling tool Quonops Online Service, Ocean-Planner allows the user via an intuitive geographical interface to define management measures at local (Marine Protected Area, Natura 2000 sites, Harbors, etc.) or global (Particularly Sensitive Sea Area) scales, seasonal (regulation over a period of time) or permanent, partial (focused to some maritime activities) or complete (all maritime activities), etc. Speed limit, exclusion area, traffic separation scheme (TSS), and vessel sound level limitation are among the measures supported be the tool. Ocean Planner help to decide on the most effective measure to apply to maintain or restore the biodiversity and the functioning of the ecosystems of the coastal seabed, maintain a good state of conservation of sensitive areas and maintain or restore the populations of marine species.

Keywords: underwater noise, marine biodiversity, marine spatial planning, mitigation measures, prediction

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418 A Low Order Thermal Envelope Model for Heat Transfer Characteristics of Low-Rise Residential Buildings

Authors: Nadish Anand, Richard D. Gould

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A simplistic model is introduced for determining the thermal characteristics of a Low-rise Residential (LRR) building and then predicts the energy usage by its Heating Ventilation & Air Conditioning (HVAC) system according to changes in weather conditions which are reflected in the Ambient Temperature (Outside Air Temperature). The LRR buildings are treated as a simple lump for solving the heat transfer problem and the model is derived using the lumped capacitance model of transient conduction heat transfer from bodies. Since most contemporary HVAC systems have a thermostat control which will have an offset temperature and user defined set point temperatures which define when the HVAC system will switch on and off. The aim is to predict without any error the Body Temperature (i.e. the Inside Air Temperature) which will estimate the switching on and off of the HVAC system. To validate the mathematical model derived from lumped capacitance we have used EnergyPlus simulation engine, which simulates Buildings with considerable accuracy. We have predicted through the low order model the Inside Air Temperature of a single house kept in three different climate zones (Detroit, Raleigh & Austin) and different orientations for summer and winter seasons. The prediction error from the model for the same day as that of model parameter calculation has showed an error of < 10% in winter for almost all the orientations and climate zones. Whereas the prediction error is only <10% for all the orientations in the summer season for climate zone at higher latitudes (Raleigh & Detroit). Possible factors responsible for the large variations are also noted in the work, paving way for future research.

Keywords: building energy, energy consumption, energy+, HVAC, low order model, lumped capacitance

Procedia PDF Downloads 249
417 Two-Dimensional Observation of Oil Displacement by Water in a Petroleum Reservoir through Numerical Simulation and Application to a Petroleum Reservoir

Authors: Ahmad Fahim Nasiry, Shigeo Honma

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We examine two-dimensional oil displacement by water in a petroleum reservoir. The pore fluid is immiscible, and the porous media is homogenous and isotropic in the horizontal direction. Buckley-Leverett theory and a combination of Laplacian and Darcy’s law are used to study the fluid flow through porous media, and the Laplacian that defines the dispersion and diffusion of fluid in the sand using heavy oil is discussed. The reservoir is homogenous in the horizontal direction, as expressed by the partial differential equation. Two main factors which are observed are the water saturation and pressure distribution in the reservoir, and they are evaluated for predicting oil recovery in two dimensions by a physical and mathematical simulation model. We review the numerical simulation that solves difficult partial differential reservoir equations. Based on the numerical simulations, the saturation and pressure equations are calculated by the iterative alternating direction implicit method and the iterative alternating direction explicit method, respectively, according to the finite difference assumption. However, to understand the displacement of oil by water and the amount of water dispersion in the reservoir better, an interpolated contour line of the water distribution of the five-spot pattern, that provides an approximate solution which agrees well with the experimental results, is also presented. Finally, a computer program is developed to calculate the equation for pressure and water saturation and to draw the pressure contour line and water distribution contour line for the reservoir.

Keywords: numerical simulation, immiscible, finite difference, IADI, IDE, waterflooding

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416 Design and Radio Frequency Characterization of Radial Reentrant Narrow Gap Cavity for the Inductive Output Tube

Authors: Meenu Kaushik, Ayon K. Bandhoyadhayay, Lalit M. Joshi

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Inductive output tubes (IOTs) are widely used as microwave power amplifiers for broadcast and scientific applications. It is capable of amplifying radio frequency (RF) power with very good efficiency. Its compactness, reliability, high efficiency, high linearity and low operating cost make this device suitable for various applications. The device consists of an integrated structure of electron gun and RF cavity, collector and focusing structure. The working principle of IOT is a combination of triode and klystron. The cathode lies in the electron gun produces a stream of electrons. A control grid is placed in close proximity to the cathode. Basically, the input part of IOT is the integrated structure of gridded electron gun which acts as an input cavity thereby providing the interaction gap where the input RF signal is applied to make it interact with the produced electron beam for supporting the amplification phenomena. The paper presents the design, fabrication and testing of a radial re-entrant cavity for implementing in the input structure of IOT at 350 MHz operating frequency. The model’s suitability has been discussed and a generalized mathematical relation has been introduced for getting the proper transverse magnetic (TM) resonating mode in the radial narrow gap RF cavities. The structural modeling has been carried out in CST and SUPERFISH codes. The cavity is fabricated with the Aluminum material and the RF characterization is done using vector network analyzer (VNA) and the results are presented for the resonant frequency peaks obtained in VNA.

Keywords: inductive output tubes, IOT, radial cavity, coaxial cavity, particle accelerators

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415 An Integrated Approach for Optimal Selection of Machining Parameters in Laser Micro-Machining Process

Authors: A. Gopala Krishna, M. Lakshmi Chaitanya, V. Kalyana Manohar

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In the existent analysis, laser micro machining (LMM) of Silicon carbide (SiCp) reinforced Aluminum 7075 Metal Matrix Composite (Al7075/SiCp MMC) was studied. While machining, Because of the intense heat generated, A layer gets formed on the work piece surface which is called recast layer and this layer is detrimental to the surface quality of the component. The recast layer needs to be as small as possible for precise applications. Therefore, The height of recast layer and the depth of groove which are conflicting in nature were considered as the significant manufacturing criteria, Which determines the pursuit of a machining process obtained in LMM of Al7075/10%SiCp composite. The present work formulates the depth of groove and height of recast layer in relation to the machining parameters using the Response Surface Methodology (RSM) and correspondingly, The formulated mathematical models were put to use for optimization. Since the effect of machining parameters on the depth of groove and height of recast layer was contradictory, The problem was explicated as a multi objective optimization problem. Moreover, An evolutionary Non-dominated sorting genetic algorithm (NSGA-II) was employed to optimize the model established by RSM. Subsequently this algorithm was also adapted to achieve the Pareto optimal set of solutions that provide a detailed illustration for making the optimal solutions. Eventually experiments were conducted to affirm the results obtained from RSM and NSGA-II.

Keywords: Laser Micro Machining (LMM), depth of groove, Height of recast layer, Response Surface Methodology (RSM), non-dominated sorting genetic algorithm

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414 Modeling Palm Oil Quality During the Ripening Process of Fresh Fruits

Authors: Afshin Keshvadi, Johari Endan, Haniff Harun, Desa Ahmad, Farah Saleena

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Experiments were conducted to develop a model for analyzing the ripening process of oil palm fresh fruits in relation to oil yield and oil quality of palm oil produced. This research was carried out on 8-year-old Tenera (Dura × Pisifera) palms planted in 2003 at the Malaysian Palm Oil Board Research Station. Fresh fruit bunches were harvested from designated palms during January till May of 2010. The bunches were divided into three regions (top, middle and bottom), and fruits from the outer and inner layers were randomly sampled for analysis at 8, 12, 16 and 20 weeks after anthesis to establish relationships between maturity and oil development in the mesocarp and kernel. Computations on data related to ripening time, oil content and oil quality were performed using several computer software programs (MSTAT-C, SAS and Microsoft Excel). Nine nonlinear mathematical models were utilized using MATLAB software to fit the data collected. The results showed mean mesocarp oil percent increased from 1.24 % at 8 weeks after anthesis to 29.6 % at 20 weeks after anthesis. Fruits from the top part of the bunch had the highest mesocarp oil content of 10.09 %. The lowest kernel oil percent of 0.03 % was recorded at 12 weeks after anthesis. Palmitic acid and oleic acid comprised of more than 73 % of total mesocarp fatty acids at 8 weeks after anthesis, and increased to more than 80 % at fruit maturity at 20 weeks. The Logistic model with the highest R2 and the lowest root mean square error was found to be the best fit model.

Keywords: oil palm, oil yield, ripening process, anthesis, fatty acids, modeling

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413 Knowledge Management in the Tourism Industry in Project Management Paradigm

Authors: Olga A. Burukina

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Tourism is a complex socio-economic phenomenon, partly regulated by national tourism industries. The sustainable development of tourism in a region, country or in tourist destination depends on a number of factors (political, economic, social, cultural, legal and technological), the understanding and correct interpretation of which is invariably anthropocentric. It is logical that for the successful functioning of a tour operating company, it is necessary to ensure its sustainable development. Sustainable tourism is defined as tourism that fully considers its current and future economic, social and environmental impacts, taking into account the needs of the industry, the environment and the host communities. For the business enterprise, sustainable development is defined as adopting business strategies and activities that meet the needs of the enterprise and its stakeholders today while protecting, sustaining and enhancing the human and natural resources that will be needed in the future. In addition to a systemic approach to the analysis of tourist destinations, each tourism project can and should be considered as a system characterized by a very high degree of variability, since each particular case of its implementation differs from the previous and subsequent ones, sometimes in a cardinal way. At the same time, it is important to understand that this variability is predominantly of anthropogenic nature (except for force majeure situations that are considered separately and afterwards). Knowledge management is the process of creating, sharing, using and managing the knowledge and information of an organization. It refers to a multidisciplinary approach to achieve organisational objectives by making the best use of knowledge. Knowledge management is seen as a key systems component that allows obtaining, storing, transferring, and maintaining information and knowledge in particular, in a long-term perspective. The study aims, firstly, to identify (1) the dynamic changes in the Italian travel industry in the last 5 years before the COVID19 pandemic, which can be considered the scope of force majeure circumstances, (2) the impact of the pandemic on the industry and (3) efforts required to restore it, and secondly, how project management tools can help to improve knowledge management in tour operating companies to maintain their sustainability, diminish potential risks and restore their pre-pandemic performance level as soon as possible. The pilot research is based upon a systems approach and has employed a pilot survey, semi-structured interviews, prior research analysis (aka literature review), comparative analysis, cross-case analysis, and modelling. The results obtained are very encouraging: PM tools can improve knowledge management in tour operating companies and secure the more sustainable development of the Italian tourism industry based on proper knowledge management and risk management.

Keywords: knowledge management, project management, sustainable development, tourism industr

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412 Relational Effect of Parent Interest, Basic School Attended, Gender, and Scare of Basic School Mathematics Teacher on Student Interest in Mathematics

Authors: Yarhands Dissou Arthur, Samuel Asiedu Addo, Jonathan Annan

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Interest in subject specific is very essential in the quest to ensure effective teaching and learning. In building interest in subject specific areas requires certain factors and strategies well-spelled out.The factors such as the gender of the student, the type of basic school attended, the parent interest as well as the scare of the basic school mathematics teacher is very important to consider. The relational effect and the contribution these above mentioned variables on student have not been fully investigated and this paper address the effect of these factors on the student interest. In the attainment of this goal, the current paper addresses the effect of parent interest, the type of basic school attended, the scare by basic school mathematics teacher and its effect on student’s interest in mathematics. A cross sectional data collected from two hundred and sixty post-secondary school student were analyzed using descriptive and inferential statistical methods by aid of SPSS version 16. The study found that parent interest and value for mathematics significantly influenced students interest and joy in solving mathematical problems. Moreover, we also observed that the fear imposed by basic school mathematics teachers was found to significantly influence students’ interest. The study further found that the type of basic school attended and gender are factors that do not influence students’ interest in mathematics. In addition to concluding that a student’s interest is influenced by both parent interest and the fear of basic school mathematics teacher, the study also showed that the type of basic school attended and gender does not affect the students’ interest in mathematics.

Keywords: gender, mathematics interest, teacher interest, teacher interest, student interest

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411 Characterization of Fine Particles Emitted by the Inland and Maritime Shipping

Authors: Malika Souada, Juanita Rausch, Benjamin Guinot, Christine Bugajny

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The increase of global commerce and tourism makes the shipping sector an important contributor of atmospheric pollution. Both, airborne particles and gaseous pollutants have negative impact on health and climate. This is especially the case in port cities, due to the proximity of the exposed population to the shipping emissions in addition to other multiple sources of pollution linked to the surrounding urban activity. The objective of this study is to determine the concentrations of fine particles (immission), specifically PM2.5, PM1, PM0.3, BC and sulphates, in a context where maritime passenger traffic plays an important role (port area of Bordeaux centre). The methodology is based on high temporal resolution measurements of pollutants, correlated with meteorological and ship movements data. Particles and gaseous pollutants from seven maritime passenger ships were sampled and analysed during the docking, manoeuvring and berthing phases. The particle mass measurements were supplemented by measurements of the number concentration of ultrafine particles (<300 nm diameter). The different measurement points were chosen by taking into account the local meteorological conditions and by pre-modelling the dispersion of the smoke plumes. The results of the measurement campaign carried out during the summer of 2021 in the port of Bordeaux show that the detection of concentrations of particles emitted by ships proved to be punctual and stealthy. Punctual peaks of ultrafine particle concentration in number (P#/m3) and BC (ng/m3) were measured during the docking phases of the ships, but the concentrations returned to their background level within minutes. However, it appears that the influence of the docking phases does not significantly affect the air quality of Bordeaux centre in terms of mass concentration. Additionally, no clear differences in PM2.5 concentrations between the periods with and without ships at berth were observed. The urban background pollution seems to be mainly dominated by exhaust and non-exhaust road traffic emissions. However, temporal high-resolution measurements suggest a probable emission of gaseous precursors responsible for the formation of secondary aerosols related to the ship activities. This was evidenced by the high values of the PM1/BC and PN/BC ratios, tracers of non-primary particle formation, during periods of ship berthing vs. periods without ships at berth. The research findings from this study provide robust support for port area air quality assessment and source apportionment.

Keywords: characterization, fine particulate matter, harbour air quality, shipping impacts

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410 Analysis on Solar Panel Performance and PV-Inverter Configuration for Tropical Region

Authors: Eko Adhi Setiawan, Duli Asih Siregar, Aiman Setiawan

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Solar energy is abundant in nature, particularly in the tropics which have peak sun hour that can reach 8 hours per day. In the fabrication process, Photovoltaic’s (PV) performance are tested in standard test conditions (STC). It specifies a module temperature of 25°C, an irradiance of 1000 W/ m² with an air mass 1.5 (AM1.5) spectrum and zero wind speed. Thus, the results of the performance testing of PV at STC conditions cannot fully represent the performance of PV in the tropics. For example Indonesia, which has a temperature of 20-40°C. In this paper, the effect of temperature on the choice of the 5 kW AC inverter topology on the PV system such as the Central Inverter, String Inverter and AC-Module specifically for the tropics will be discussed. The proper inverter topology can be determined by analysis of the effect of temperature and irradiation on the PV panel. The effect of temperature and irradiation will be represented in the characteristics of I-V and P-V curves. PV’s characteristics on high temperature would be analyzed using Solar panel modeling through MATLAB Simulink based on mathematical equations that form Solar panel’s characteristic curve. Based on PV simulation, it is known then that temperature coefficients of short circuit current (ISC), open circuit voltage (VOC), and maximum output power (PMAX) consecutively as high as 0.56%/oC, -0.31%/oC and -0.4%/oC. Those coefficients can be used to calculate PV’s electrical parameters such as ISC, VOC, and PMAX in certain earth’s surface’s certain point. Then, from the parameters, the utility of the 5 kW AC inverter system can be determined. As the result, for tropical area, string inverter topology has the highest utility rates with 98, 80 %. On the other hand, central inverter and AC-Module Topology has utility rates of 92.69 % and 87.7 % eventually.

Keywords: Photovoltaic, PV-Inverter Configuration, PV Modeling, Solar Panel Characteristics.

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409 Simulation of Dynamic Behavior of Seismic Isolators Using a Parallel Elasto-Plastic Model

Authors: Nicolò Vaiana, Giorgio Serino

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In this paper, a one-dimensional (1d) Parallel Elasto- Plastic Model (PEPM), able to simulate the uniaxial dynamic behavior of seismic isolators having a continuously decreasing tangent stiffness with increasing displacement, is presented. The parallel modeling concept is applied to discretize the continuously decreasing tangent stiffness function, thus allowing to simulate the dynamic behavior of seismic isolation bearings by putting linear elastic and nonlinear elastic-perfectly plastic elements in parallel. The mathematical model has been validated by comparing the experimental force-displacement hysteresis loops, obtained testing a helical wire rope isolator and a recycled rubber-fiber reinforced bearing, with those predicted numerically. Good agreement between the simulated and experimental results shows that the proposed model can be an effective numerical tool to predict the forcedisplacement relationship of seismic isolators within relatively large displacements. Compared to the widely used Bouc-Wen model, the proposed one allows to avoid the numerical solution of a first order ordinary nonlinear differential equation for each time step of a nonlinear time history analysis, thus reducing the computation effort, and requires the evaluation of only three model parameters from experimental tests, namely the initial tangent stiffness, the asymptotic tangent stiffness, and a parameter defining the transition from the initial to the asymptotic tangent stiffness.

Keywords: base isolation, earthquake engineering, parallel elasto-plastic model, seismic isolators, softening hysteresis loops

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408 Adding a Few Language-Level Constructs to Improve OOP Verifiability of Semantic Correctness

Authors: Lian Yang

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Object-oriented programming (OOP) is the dominant programming paradigm in today’s software industry and it has literally enabled average software developers to develop millions of commercial strength software applications in the era of INTERNET revolution over the past three decades. On the other hand, the lack of strict mathematical model and domain constraint features at the language level has long perplexed the computer science academia and OOP engineering community. This situation resulted in inconsistent system qualities and hard-to-understand designs in some OOP projects. The difficulties with regards to fix the current situation are also well known. Although the power of OOP lies in its unbridled flexibility and enormously rich data modeling capability, we argue that the ambiguity and the implicit facade surrounding the conceptual model of a class and an object should be eliminated as much as possible. We listed the five major usage of class and propose to separate them by proposing new language constructs. By using well-established theories of set and FSM, we propose to apply certain simple, generic, and yet effective constraints at OOP language level in an attempt to find a possible solution to the above-mentioned issues regarding OOP. The goal is to make OOP more theoretically sound as well as to aid programmers uncover warning signs of irregularities and domain-specific issues in applications early on the development stage and catch semantic mistakes at runtime, improving correctness verifiability of software programs. On the other hand, the aim of this paper is more practical than theoretical.

Keywords: new language constructs, set theory, FSM theory, user defined value type, function groups, membership qualification attribute (MQA), check-constraint (CC)

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407 An Optimization Model for the Arrangement of Assembly Areas Considering Time Dynamic Area Requirements

Authors: Michael Zenker, Henrik Prinzhorn, Christian Böning, Tom Strating

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Large-scale products are often assembled according to the job-site principle, meaning that during the assembly the product is located at a fixed position, while the area requirements are constantly changing. On one hand, the product itself is growing with each assembly step, whereas varying areas for storage, machines or working areas are temporarily required. This is an important factor when arranging products to be assembled within the factory. Currently, it is common to reserve a fixed area for each product to avoid overlaps or collisions with the other assemblies. Intending to be large enough to include the product and all adjacent areas, this reserved area corresponds to the superposition of the maximum extents of all required areas of the product. In this procedure, the reserved area is usually poorly utilized over the course of the entire assembly process; instead a large part of it remains unused. If the available area is a limited resource, a systematic arrangement of the products, which complies with the dynamic area requirements, will lead to an increased area utilization and productivity. This paper presents the results of a study on the arrangement of assembly objects assuming dynamic, competing area requirements. First, the problem situation is extensively explained, and existing research on associated topics is described and evaluated on the possibility of an adaptation. Then, a newly developed mathematical optimization model is introduced. This model allows an optimal arrangement of dynamic areas, considering logical and practical constraints. Finally, in order to quantify the potential of the developed method, some test series results are presented, showing the possible increase in area utilization.

Keywords: dynamic area requirements, facility layout problem, optimization model, product assembly

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406 City on Fire: An Ethnography of Play and Politics in Johannesburg Nightclubs

Authors: Beth Vale

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Academic research has often neglected the city after dark. Surprisingly little consideration has been given to the every night life of cities: the spatial tactics and creative insurgencies of urban residents when night falls. The focus on ‘pleasure’ in the nocturnal city has often negated the subtle politics of night-time play, embedded in expressions of identity, attachment and resistance. This paper investigates Johannesburg nightclubs as sites of quotidian political labour, through which young people contest social space and their place in it, thereby contributing to the city’s effective and socio-political cartography. The tactical remodelling of the nocturnal city through nightclubbing traces lines of desire (material, emotional, sexual), affiliation, and fear. These in turn map onto young people’s expressions of their social and political identities, as well as their attempts at place-making in a ‘post-apartheid’ context. By examining the micro-politics of the cities' nightclubs, this paper speaks back to an earlier post-94 literature, which regularly characterised Johannesburg youth as superficial, individualist and idealistic. Similarly, some might position nightclubs as sites of frivolous consumption or liberatory permissiveness. Yet because nightclub spaces are racialised, classed and gendered, historically-signified and socially regulated, they are also profoundly political. Through ordinary encounters on the cities' dancefloors, young Jo’burgers are imagining, contesting and negotiating their socio-political identities and indeed their claims to the city. Meanwhile, the politics of this generation of youth, who are increasingly critical of the utopian post-apartheid city, are being increasingly inserted and coopted into night-time cultures. Data for this study was gathered through five months of ethnographic fieldwork in Johannesburg nightclubs, including over 120 hours of participant observation and in-depth interviews with organisers and partygoers. Interviewees recognised that parties, rather than being simple frivolity, are a cacophony of celebration, mourning, worship, rage, rebellion and attachment. Countering standard associations between partying and escapism, party planners, venue owners and nightclub audiences were infusing night-time infrastructures with the aesthetics of politics and protest. Not unlike parties, local political assemblies so often rely on music, dance, the occupation of space, and a heaving crowd. References to social movements, militancy and anti-establishment emerged in nightclub themes, dress codes and décor. Metaphors of fire crossed over between party and protest, both of which could be described as having ‘been lit’ or having ‘brought flames’. More so, young people’s articulations of the city’s night-time geography, and their place in it, reflected articulations of race, class and ideological affiliation. The location, entrance fees and stylistic choices of one’s chosen club destination demarcated who was welcome, while also signalling membership to a particular politics (whether progressive or materialistic, inclusive or elitist, mainstream or counter-culture). Because of their ability to divide and unite, aggravate and titillate, mask and reveal, club cultures might offer a mirror to the complex socialities of a generation of Jo’burg youth, as they inhabit, and bring into being, a contemporary South African city.

Keywords: affect, Johannesburg, nightclub, nocturnal city, politics

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405 Optimization of Operational Water Quality Parameters in a Drinking Water Distribution System Using Response Surface Methodology

Authors: Sina Moradi, Christopher W. K. Chow, John Van Leeuwen, David Cook, Mary Drikas, Patrick Hayde, Rose Amal

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Chloramine is commonly used as a disinfectant in drinking water distribution systems (DWDSs), particularly in Australia and the USA. Maintaining a chloramine residual throughout the DWDS is important in ensuring microbiologically safe water is supplied at the customer’s tap. In order to simulate how chloramine behaves when it moves through the distribution system, a water quality network model (WQNM) can be applied. In this work, the WQNM was based on mono-chloramine decomposition reactions, which enabled prediction of mono-chloramine residual at different locations through a DWDS in Australia, using the Bentley commercial hydraulic package (Water GEMS). The accuracy of WQNM predictions is influenced by a number of water quality parameters. Optimization of these parameters in order to obtain the closest results in comparison with actual measured data in a real DWDS would result in both cost reduction as well as reduction in consumption of valuable resources such as energy and materials. In this work, the optimum operating conditions of water quality parameters (i.e. temperature, pH, and initial mono-chloramine concentration) to maximize the accuracy of mono-chloramine residual predictions for two water supply scenarios in an entire network were determined using response surface methodology (RSM). To obtain feasible and economical water quality parameters for highest model predictability, Design Expert 8.0 software (Stat-Ease, Inc.) was applied to conduct the optimization of three independent water quality parameters. High and low levels of the water quality parameters were considered, inevitably, as explicit constraints, in order to avoid extrapolation. The independent variables were pH, temperature and initial mono-chloramine concentration. The lower and upper limits of each variable for two water supply scenarios were defined and the experimental levels for each variable were selected based on the actual conditions in studied DWDS. It was found that at pH of 7.75, temperature of 34.16 ºC, and initial mono-chloramine concentration of 3.89 (mg/L) during peak water supply patterns, root mean square error (RMSE) of WQNM for the whole network would be minimized to 0.189, and the optimum conditions for averaged water supply occurred at pH of 7.71, temperature of 18.12 ºC, and initial mono-chloramine concentration of 4.60 (mg/L). The proposed methodology to predict mono-chloramine residual can have a great potential for water treatment plant operators in accurately estimating the mono-chloramine residual through a water distribution network. Additional studies from other water distribution systems are warranted to confirm the applicability of the proposed methodology for other water samples.

Keywords: chloramine decay, modelling, response surface methodology, water quality parameters

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404 Quantum Statistical Machine Learning and Quantum Time Series

Authors: Omar Alzeley, Sergey Utev

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Minimizing a constrained multivariate function is the fundamental of Machine learning, and these algorithms are at the core of data mining and data visualization techniques. The decision function that maps input points to output points is based on the result of optimization. This optimization is the central of learning theory. One approach to complex systems where the dynamics of the system is inferred by a statistical analysis of the fluctuations in time of some associated observable is time series analysis. The purpose of this paper is a mathematical transition from the autoregressive model of classical time series to the matrix formalization of quantum theory. Firstly, we have proposed a quantum time series model (QTS). Although Hamiltonian technique becomes an established tool to detect a deterministic chaos, other approaches emerge. The quantum probabilistic technique is used to motivate the construction of our QTS model. The QTS model resembles the quantum dynamic model which was applied to financial data. Secondly, various statistical methods, including machine learning algorithms such as the Kalman filter algorithm, are applied to estimate and analyses the unknown parameters of the model. Finally, simulation techniques such as Markov chain Monte Carlo have been used to support our investigations. The proposed model has been examined by using real and simulated data. We establish the relation between quantum statistical machine and quantum time series via random matrix theory. It is interesting to note that the primary focus of the application of QTS in the field of quantum chaos was to find a model that explain chaotic behaviour. Maybe this model will reveal another insight into quantum chaos.

Keywords: machine learning, simulation techniques, quantum probability, tensor product, time series

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403 Active Vibration Reduction for a Flexible Structure Bonded with Sensor/Actuator Pairs on Efficient Locations Using a Developed Methodology

Authors: Ali H. Daraji, Jack M. Hale, Ye Jianqiao

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With the extensive use of high specific strength structures to optimise the loading capacity and material cost in aerospace and most engineering applications, much effort has been expended to develop intelligent structures for active vibration reduction and structural health monitoring. These structures are highly flexible, inherently low internal damping and associated with large vibration and long decay time. The modification of such structures by adding lightweight piezoelectric sensors and actuators at efficient locations integrated with an optimal control scheme is considered an effective solution for structural vibration monitoring and controlling. The size and location of sensor and actuator are important research topics to investigate their effects on the level of vibration detection and reduction and the amount of energy provided by a controller. Several methodologies have been presented to determine the optimal location of a limited number of sensors and actuators for small-scale structures. However, these studies have tackled this problem directly, measuring the fitness function based on eigenvalues and eigenvectors achieved with numerous combinations of sensor/actuator pair locations and converging on an optimal set using heuristic optimisation techniques such as the genetic algorithms. This is computationally expensive for small- and large-scale structures subject to optimise a number of s/a pairs to suppress multiple vibration modes. This paper proposes an efficient method to determine optimal locations for a limited number of sensor/actuator pairs for active vibration reduction of a flexible structure based on finite element method and Hamilton’s principle. The current work takes the simplified approach of modelling a structure with sensors at all locations, subjecting it to an external force to excite the various modes of interest and noting the locations of sensors giving the largest average percentage sensors effectiveness measured by dividing all sensor output voltage over the maximum for each mode. The methodology was implemented for a cantilever plate under external force excitation to find the optimal distribution of six sensor/actuator pairs to suppress the first six modes of vibration. It is shown that the results of the optimal sensor locations give good agreement with published optimal locations, but with very much reduced computational effort and higher effectiveness. Furthermore, it is shown that collocated sensor/actuator pairs placed in these locations give very effective active vibration reduction using optimal linear quadratic control scheme.

Keywords: optimisation, plate, sensor effectiveness, vibration control

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402 Densities and Volumetric Properties of {Difurylmethane + [(C5 – C8) N-Alkane or an Amide]} Binary Systems at 293.15, 298.15 and 303.15 K: Modelling Excess Molar Volumes by Prigogine-Flory-Patterson Theory

Authors: Belcher Fulele, W. A. A. Ddamba

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Study of solvent systems contributes to the understanding of intermolecular interactions that occur in binary mixtures. These interactions involves among others strong dipole-dipole interactions and weak van de Waals interactions which are of significant application in pharmaceuticals, solvent extractions, design of reactors and solvent handling and storage processes. Binary mixtures of solvents can thus be used as a model to interpret thermodynamic behavior that occur in a real solution mixture. Densities of pure DFM, n-alkanes (n-pentane, n-hexane, n-heptane and n-octane) and amides (N-methylformamide, N-ethylformamide, N,N-dimethylformamide and N,N-dimethylacetamide) as well as their [DFM + ((C5-C8) n-alkane or amide)] binary mixtures over the entire composition range, have been reported at temperature 293.15, 298.15 and 303.15 K and atmospheric pressure. These data has been used to derive the thermodynamic properties: the excess molar volume of solution, apparent molar volumes, excess partial molar volumes, limiting excess partial molar volumes, limiting partial molar volumes of each component of a binary mixture. The results are discussed in terms of possible intermolecular interactions and structural effects that occur in the binary mixtures. The variation of excess molar volume with DFM composition for the [DFM + (C5-C7) n-alkane] binary mixture exhibit a sigmoidal behavior while for the [DFM + n-octane] binary system, positive deviation of excess molar volume function was observed over the entire composition range. For each of the [DFM + (C5-C8) n-alkane] binary mixture, the excess molar volume exhibited a fall with increase in temperature. The excess molar volume for each of [DFM + (NMF or NEF or DMF or DMA)] binary system was negative over the entire DFM composition at each of the three temperatures investigated. The negative deviations in excess molar volume values follow the order: DMA > DMF > NEF > NMF. Increase in temperature has a greater effect on component self-association than it has on complex formation between molecules of components in [DFM + (NMF or NEF or DMF or DMA)] binary mixture which shifts complex formation equilibrium towards complex to give a drop in excess molar volume with increase in temperature. The Prigogine-Flory-Patterson model has been applied at 298.15 K and reveals that the free volume is the most important contributing term to the excess experimental molar volume data for [DFM + (n-pentane or n-octane)] binary system. For [DFM + (NMF or DMF or DMA)] binary mixture, the interactional term and characteristic pressure term contributions are the most important contributing terms in describing the sign of experimental excess molar volume. The mixture systems contributed to the understanding of interactions of polar solvents with proteins (amides) with non-polar solvents (alkanes) in biological systems.

Keywords: alkanes, amides, excess thermodynamic parameters, Prigogine-Flory-Patterson model

Procedia PDF Downloads 336
401 Managed Aquifer Recharge (MAR) for the Management of Stormwater on the Cape Flats, Cape Town

Authors: Benjamin Mauck, Kevin Winter

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The city of Cape Town in South Africa, has shown consistent economic and population growth in the last few decades and that growth is expected to continue to increase into the future. These projected economic and population growth rates are set to place additional pressure on the city’s already strained water supply system. Thus, given Cape Town’s water scarcity, increasing water demands and stressed water supply system, coupled with global awareness around the issues of sustainable development, environmental protection and climate change, alternative water management strategies are required to ensure water is sustainably managed. Water Sensitive Urban Design (WSUD) is an approach to sustainable urban water management that attempts to assign a resource value to all forms of water in the urban context, viz. stormwater, wastewater, potable water and groundwater. WSUD employs a wide range of strategies to improve the sustainable management of urban water such as the water reuse, developing alternative available supply sources, sustainable stormwater management and enhancing the aesthetic and recreational value of urban water. Managed Aquifer Recharge (MAR) is one WSUD strategy which has proven to be a successful reuse strategy in a number of places around the world. MAR is the process where an aquifer is intentionally or artificially recharged, which provides a valuable means of water storage while enhancing the aquifers supply potential. This paper investigates the feasibility of implementing MAR in the sandy, unconfined Cape Flats Aquifer (CFA) in Cape Town. The main objective of the study is to assess if MAR is a viable strategy for stormwater management on the Cape Flats, aiding the prevention or mitigation of the seasonal flooding that occurs on the Cape Flats, while also improving the supply potential of the aquifer. This involves the infiltration of stormwater into the CFA during the wet winter months and in turn, abstracting from the CFA during the dry summer months for fit-for-purpose uses in order to optimise the recharge and storage capacity of the CFA. The fully-integrated MIKE SHE model is used in this study to simulate both surface water and groundwater hydrology. This modelling approach enables the testing of various potential recharge and abstraction scenarios required for implementation of MAR on the Cape Flats. Further MIKE SHE scenario analysis under projected future climate scenarios provides insight into the performance of MAR as a stormwater management strategy under climate change conditions. The scenario analysis using an integrated model such as MIKE SHE is a valuable tool for evaluating the feasibility of the MAR as a stormwater management strategy and its potential to contribute towards improving Cape Town’s water security into the future.

Keywords: managed aquifer recharge, stormwater management, cape flats aquifer, MIKE SHE

Procedia PDF Downloads 228
400 Optimal Management of Forest Stands under Wind Risk in Czech Republic

Authors: Zohreh Mohammadi, Jan Kaspar, Peter Lohmander, Robert Marusak, Harald Vacik, Ljusk Ola Eriksson

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Storms are important damaging agents in European forest ecosystems. In the latest decades, significant economic losses in European forestry occurred due to storms. This study investigates the problem of optimal harvest planning when forest stands risk to be felled by storms. One of the most applicable mathematical methods which are being used to optimize forest management is stochastic dynamic programming (SDP). This method belongs to the adaptive optimization class. Sequential decisions, such as harvest decisions, can be optimized based on sequential information about events that cannot be perfectly predicted, such as the future storms and the future states of wind protection from other forest stands. In this paper, stochastic dynamic programming is used to maximize the expected present value of the profits from an area consisting of several forest stands. The region of analysis is the Czech Republic. The harvest decisions, in a particular time period, should be simultaneously taken in all neighbor stands. The reason is that different stands protect each other from possible winds. The optimal harvest age of a particular stand is a function of wind speed and different wind protection effects. The optimal harvest age often decreases with wind speed, but it cannot be determined for one stand at a time. When we consider a particular stand, this stand also protects other stands. Furthermore, the particular stand is protected by neighbor stands. In some forest stands, it may even be rational to increase the harvest age under the influence of stronger winds, in order to protect more valuable stands in the neighborhood. It is important to integrate wind risk in forestry decision-making.

Keywords: Czech republic, forest stands, stochastic dynamic programming, wind risk

Procedia PDF Downloads 121
399 Fluid–Structure Interaction Modeling of Wind Turbines

Authors: Andre F. A. Cyrino

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Knowing that the technological advance is the focus on the efficient extraction of energy from wind, and therefore in the design of wind turbine structures, this work aims the study of the fluid-structure interaction of an idealized wind turbine. The blade was studied as a beam attached to a cylindrical Hub with rotation axis pointing the air flow that passes through the rotor. Using the calculus of variations and the finite difference method the blade will be simulated by a discrete number of nodes and the aerodynamic forces were evaluated. The study presented here was written on Matlab and performs a numeric simulation of a simplified model of windmill containing a Hub and three blades modeled as Euler-Bernoulli beams for small strains and under the constant and uniform wind. The mathematical approach is done by Hamilton’s Extended Principle with the aerodynamic loads applied on the nodes considering the local relative wind speed, angle of attack and aerodynamic lift and drag coefficients. Due to the wide range of angles of attack, a wind turbine blade operates, the airfoil used on the model was NREL SERI S809 which allowed obtaining equations for Cl and Cd as functions of the angle of attack, based on a NASA study. Tridimensional flow effects were no taken in part, as well as torsion of the beam, which only bends. The results showed the dynamic response of the system in terms of displacement and rotational speed as the turbine reached the final speed. Although the results were not compared to real windmills or more complete models, the resulting values were consistent with the size of the system and wind speed.

Keywords: blade aerodynamics, fluid–structure interaction, wind turbine aerodynamics, wind turbine blade

Procedia PDF Downloads 247
398 The Current Application of BIM - An Empirical Study Focusing on the BIM-Maturity Level

Authors: Matthias Stange

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Building Information Modelling (BIM) is one of the most promising methods in the building design process and plays an important role in the digitalization of the Architectural, Engineering, and Construction (AEC) Industry. The application of BIM is seen as the key enabler for increasing productivity in the construction industry. The model-based collaboration using the BIM method is intended to significantly reduce cost increases, schedule delays, and quality problems in the planning and construction of buildings. Numerous qualitative studies based on expert interviews support this theory and report perceived benefits from the use of BIM in terms of achieving project objectives related to cost, schedule, and quality. However, there is a large research gap in analysing quantitative data collected from real construction projects regarding the actual benefits of applying BIM based on representative sample size and different application regions as well as different project typologies. In particular, the influence of the project-related BIM maturity level is completely unexplored. This research project examines primary data from 105 construction projects worldwide using quantitative research methods. Projects from the areas of residential, commercial, and industrial construction as well as infrastructure and hydraulic engineering were examined in application regions North America, Australia, Europe, Asia, MENA region, and South America. First, a descriptive data analysis of 6 independent project variables (BIM maturity level, application region, project category, project type, project size, and BIM level) were carried out using statistical methods. With the help of statisticaldata analyses, the influence of the project-related BIM maturity level on 6 dependent project variables (deviation in planning time, deviation in construction time, number of planning collisions, frequency of rework, number of RFIand number of changes) was investigated. The study revealed that most of the benefits of using BIM perceived through numerous qualitative studies have not been confirmed. The results of the examined sample show that the application of BIM did not have an improving influence on the dependent project variables, especially regarding the quality of the planning itself and the adherence to the schedule targets. The quantitative research suggests the conclusion that the BIM planning method in its current application has not (yet) become a recognizable increase in productivity within the planning and construction process. The empirical findings indicate that this is due to the overall low level of BIM maturity in the projects of the examined sample. As a quintessence, the author suggests that the further implementation of BIM should primarily focus on an application-oriented and consistent development of the project-related BIM maturity level instead of implementing BIM for its own sake. Apparently, there are still significant difficulties in the interweaving of people, processes, and technology.

Keywords: AEC-process, building information modeling, BIM maturity level, project results, productivity of the construction industry

Procedia PDF Downloads 58
397 The Patterns of Cross-Sentence: An Event-Related Potential Study of Mathematical Word Problem

Authors: Tien-Ching Yao, Ching-Ching Lu

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Understanding human language processing is one of the main challenges of current cognitive neuroscience. The aims of the present study were to use a sentence decision task combined with event-related potentials to investigate the psychological reality of "cross-sentence patterns." Therefore, we take the math word problems the experimental materials and use the ERPs' P600 component to verify. In this study, the experimental material consisted of 200 math word problems with three different conditions were used ( multiplication word problems、division word problems type 1、division word problems type 2 ). Eighteen Mandarin native speakers participated in the ERPs study (14 of whom were female). The result of the grand average waveforms suggests a later posterior positivity at around 500ms - 900ms. These findings were tested statistically using repeated measures ANOVAs at the component caused by the stimulus type of different questions. Results suggest that three conditions present significant (P < 0.05) on the Mean Amplitude, Latency, and Peak Amplitude. The result showed the characteristic timing and posterior scalp distribution of a P600 effect. We interpreted these characteristic responses as the psychological reality of "cross-sentence patterns." These results provide insights into the sentence processing issues in linguistic theory and psycholinguistic models of language processing and advance our understanding of how people make sense of information during language comprehension.

Keywords: language processing, sentence comprehension, event-related potentials, cross-sentence patterns

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396 Gonadal Maturation in Pen Shells Pinna Rudis and Pinna Nobilis Stimulated by Reproductive Neuropeptides

Authors: Ntalamagka N., Sanchis-Benlloch P. J., Mayoral-Serrano R., Tena-Medialdea J., García-March J. R.

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The pen shell Pinna nobilis population has declined dramatically since 2016 due to die-off events observed in the whole extent of the Mediterranean Sea associated with the protozoan Haplosporidium pinnae. As of 2019, it is considered a critically endangered species. Due to its ecological importance and its endangered status, several initiatives have been developed for its salvation and recovery. This research is an effort to understand and control its reproduction under captivity. As a limited number of Pinna nobilis individuals could be used for experimentation, the possibility of using the Pinna rudis as a model animal was explored. The molecular mechanism that regulates the reproduction of both species is unknown; consequently, transcriptomic analysis was performed to identify neuropeptides that are expressed in the key regulatory tissues of the visceral ganglia and gonads of both species. Neuropeptides form an important group of signaling peptides that regulate reproductive, behavioral and physiological functions in molluscs. In total, 17 neuropeptide precursors were identified in P. nobilis and 14 in P. rudis transcriptomes; 14 of them were identical in both species. This affinity verified the genetic similarity of these species at the reproduction level. APGWamide, buccalin, ELH and GnRH were tested in P. rudis and demonstrated their capacity to advance gonadal maturation and trigger spawning while spawning was recorded in P. nobilis after the usage of APGWamide and buccalin. The neuropeptides were administered using intramuscular injection and cholesterol implants following relative literature as well as a new method was developed for external administration without the use of anesthesia using a mathematical model. The know-how of this research will not only lead to the survival of the species but also will narrow the horizons of broodstock conditioning of other similar species.

Keywords: neuropeptides, Pinna nobilis, reproduction, transcriptomics

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395 Computational Fluid Dynamics Modeling of Liquefaction of Wood and It's Model Components Using a Modified Multistage Shrinking-Core Model

Authors: K. G. R. M. Jayathilake, S. Rudra

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Wood degradation in hot compressed water is modeled with a Computational Fluid Dynamics (CFD) code using cellulose, xylan, and lignin as model compounds. Model compounds are reacted under catalyst-free conditions in a temperature range from 250 to 370 °C. Using a simplified reaction scheme where water soluble products, methanol soluble products, char like compounds and gas are generated through intermediates with each model compound. A modified multistage shrinking core model is developed to simulate particle degradation. In the modified shrinking core model, each model compound is hydrolyzed in separate stages. Cellulose is decomposed to glucose/oligomers before producing degradation products. Xylan is decomposed through xylose and then to degradation products where lignin is decomposed into soluble products before producing the total guaiacol, organic carbon (TOC) and then char and gas. Hydrolysis of each model compound is used as the main reaction of the process. Diffusion of water monomers to the particle surface to initiate hydrolysis and dissolution of the products in water is given importance during the modeling process. In the developed model the temperature variation depends on the Arrhenius relationship. Kinetic parameters from the literature are used for the mathematical model. Meanwhile, limited initial fast reaction kinetic data limit the development of more accurate CFD models. Liquefaction results of the CFD model are analyzed and validated using the experimental data available in the literature where it shows reasonable agreement.

Keywords: computational fluid dynamics, liquefaction, shrinking-core, wood

Procedia PDF Downloads 101
394 Performance Comparison of Microcontroller-Based Optimum Controller for Fruit Drying System

Authors: Umar Salisu

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This research presents the development of a hot air tomatoes drying system. To provide a more efficient and continuous temperature control, microcontroller-based optimal controller was developed. The system is based on a power control principle to achieve smooth power variations depending on a feedback temperature signal of the process. An LM35 temperature sensor and LM399 differential comparator were used to measure the temperature. The mathematical model of the system was developed and the optimal controller was designed and simulated and compared with the PID controller transient response. A controlled environment suitable for fruit drying is developed within a closed chamber and is a three step process. First, the infrared light is used internally to preheated the fruit to speedily remove the water content inside the fruit for fast drying. Second, hot air of a specified temperature is blown inside the chamber to maintain the humidity below a specified level and exhaust the humid air of the chamber. Third, the microcontroller disconnects the power to the chamber after the moisture content of the fruits is removed to minimal. Experiments were conducted with 1kg of fresh tomatoes at three different temperatures (40, 50 and 60 °C) at constant relative humidity of 30%RH. The results obtained indicate that the system is significantly reducing the drying time without affecting the quality of the fruits. In the context of temperature control, the results obtained showed that the response of the optimal controller has zero overshoot whereas the PID controller response overshoots to about 30% of the set-point. Another performance metric used is the rising time; the optimal controller rose without any delay while the PID controller delayed for more than 50s. It can be argued that the optimal controller performance is preferable than that of the PID controller since it does not overshoot and it starts in good time.

Keywords: drying, microcontroller, optimum controller, PID controller

Procedia PDF Downloads 271
393 Modelling of Air-Cooled Adiabatic Membrane-Based Absorber for Absorption Chillers Using Low Temperature Solar Heat

Authors: M. Venegas, M. De Vega, N. García-Hernando

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Absorption cooling chillers have received growing attention over the past few decades as they allow the use of low-grade heat to produce the cooling effect. The combination of this technology with solar thermal energy in the summer period can reduce the electricity consumption peak due to air-conditioning. One of the main components, the absorber, is designed for simultaneous heat and mass transfer. Usually, shell and tubes heat exchangers are used, which are large and heavy. Cooling water from a cooling tower is conventionally used to extract the heat released during the absorption and condensation processes. These are clear inconvenient for the generalization of the absorption technology use, limiting its benefits in the contribution to the reduction in CO2 emissions, particularly for the H2O-LiBr solution which can work with low heat temperature sources as provided by solar panels. In the present work a promising new technology is under study, consisting in the use of membrane contactors in adiabatic microchannel mass exchangers. The configuration here proposed consists in one or several modules (depending on the cooling capacity of the chiller) that contain two vapour channels, separated from the solution by adjacent microporous membranes. The solution is confined in rectangular microchannels. A plastic or synthetic wall separates the solution channels between them. The solution entering the absorber is previously subcooled using ambient air. In this way, the need for a cooling tower is avoided. A model of the configuration proposed is developed based on mass and energy balances and some correlations were selected to predict the heat and mass transfer coefficients. The concentration and temperatures along the channels cannot be explicitly determined from the set of equations obtained. For this reason, the equations were implemented in a computer code using Engineering Equation Solver software, EES™. With the aim of minimizing the absorber volume to reduce the size of absorption cooling chillers, the ratio between the cooling power of the chiller and the absorber volume (R) is calculated. Its variation is shown along the solution channels, allowing its optimization for selected operating conditions. For the case considered the solution channel length is recommended to be lower than 3 cm. Maximum values of R obtained in this work are higher than the ones found in optimized horizontal falling film absorbers using the same solution. Results obtained also show the variation of R and the chiller efficiency (COP) for different ambient temperatures and desorption temperatures typically obtained using flat plate solar collectors. The configuration proposed of adiabatic membrane-based absorber using ambient air to subcool the solution is a good technology to reduce the size of the absorption chillers, allowing the use of low temperature solar heat and avoiding the need for cooling towers.

Keywords: adiabatic absorption, air-cooled, membrane, solar thermal energy

Procedia PDF Downloads 261
392 Molecular Modeling and Prediction of the Physicochemical Properties of Polyols in Aqueous Solution

Authors: Maria Fontenele, Claude-Gilles Dussap, Vincent Dumouilla, Baptiste Boit

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Roquette Frères is a producer of plant-based ingredients that employs many processes to extract relevant molecules and often transforms them through chemical and physical processes to create desired ingredients with specific functionalities. In this context, Roquette encounters numerous multi-component complex systems in their processes, including fibers, proteins, and carbohydrates, in an aqueous environment. To develop, control, and optimize both new and old processes, Roquette aims to develop new in silico tools. Currently, Roquette uses process modelling tools which include specific thermodynamic models and is willing to develop computational methodologies such as molecular dynamics simulations to gain insights into the complex interactions in such complex media, and especially hydrogen bonding interactions. The issue at hand concerns aqueous mixtures of polyols with high dry matter content. The polyols mannitol and sorbitol molecules are diastereoisomers that have nearly identical chemical structures but very different physicochemical properties: for example, the solubility of sorbitol in water is 2.5 kg/kg of water, while mannitol has a solubility of 0.25 kg/kg of water at 25°C. Therefore, predicting liquid-solid equilibrium properties in this case requires sophisticated solution models that cannot be based solely on chemical group contributions, knowing that for mannitol and sorbitol, the chemical constitutive groups are the same. Recognizing the significance of solvation phenomena in polyols, the GePEB (Chemical Engineering, Applied Thermodynamics, and Biosystems) team at Institut Pascal has developed the COSMO-UCA model, which has the structural advantage of using quantum mechanics tools to predict formation and phase equilibrium properties. In this work, we use molecular dynamics simulations to elucidate the behavior of polyols in aqueous solution. Specifically, we employ simulations to compute essential metrics such as radial distribution functions and hydrogen bond autocorrelation functions. Our findings illuminate a fundamental contrast: sorbitol and mannitol exhibit disparate hydrogen bond lifetimes within aqueous environments. This observation serves as a cornerstone in elucidating the divergent physicochemical properties inherent to each compound, shedding light on the nuanced interplay between their molecular structures and water interactions. We also present a methodology to predict the physicochemical properties of complex solutions, taking as sole input the three-dimensional structure of the molecules in the medium. Finally, by developing knowledge models, we represent some physicochemical properties of aqueous solutions of sorbitol and mannitol.

Keywords: COSMO models, hydrogen bond, molecular dynamics, thermodynamics

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391 Techno-Economic Analysis of 1,3-Butadiene and ε-Caprolactam Production from C6 Sugars

Authors: Iris Vural Gursel, Jonathan Moncada, Ernst Worrell, Andrea Ramirez

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In order to achieve the transition from a fossil to bio-based economy, biomass needs to replace fossil resources in meeting the world’s energy and chemical needs. This calls for development of biorefinery systems allowing cost-efficient conversion of biomass to chemicals. In biorefinery systems, feedstock is converted to key intermediates called platforms which are converted to wide range of marketable products. The C6 sugars platform stands out due to its unique versatility as precursor for multiple valuable products. Among the different potential routes from C6 sugars to bio-based chemicals, 1,3-butadiene and ε-caprolactam appear to be of great interest. Butadiene is an important chemical for the production of synthetic rubbers, while caprolactam is used in production of nylon-6. In this study, ex-ante techno-economic performance of 1,3-butadiene and ε-caprolactam routes from C6 sugars were assessed. The aim is to provide insight from an early stage of development into the potential of these new technologies, and the bottlenecks and key cost-drivers. Two cases for each product line were analyzed to take into consideration the effect of possible changes on the overall performance of both butadiene and caprolactam production. Conceptual process design for the processes was developed using Aspen Plus based on currently available data from laboratory experiments. Then, operating and capital costs were estimated and an economic assessment was carried out using Net Present Value (NPV) as indicator. Finally, sensitivity analyses on processing capacity and prices was done to take into account possible variations. Results indicate that both processes perform similarly from an energy intensity point of view ranging between 34-50 MJ per kg of main product. However, in terms of processing yield (kg of product per kg of C6 sugar), caprolactam shows higher yield by a factor 1.6-3.6 compared to butadiene. For butadiene production, with the economic parameters used in this study, for both cases studied, a negative NPV (-642 and -647 M€) was attained indicating economic infeasibility. For the caprolactam production, one of the cases also showed economic infeasibility (-229 M€), but the case with the higher caprolactam yield resulted in a positive NPV (67 M€). Sensitivity analysis indicated that the economic performance of caprolactam production can be improved with the increase in capacity (higher C6 sugars intake) reflecting benefits of the economies of scale. Furthermore, humins valorization for heat and power production was considered and found to have a positive effect. Butadiene production was found sensitive to the price of feedstock C6 sugars and product butadiene. However, even at 100% variation of the two parameters, butadiene production remained economically infeasible. Overall, the caprolactam production line shows higher economic potential in comparison to that of butadiene. The results are useful in guiding experimental research and providing direction for further development of bio-based chemicals.

Keywords: bio-based chemicals, biorefinery, C6 sugars, economic analysis, process modelling

Procedia PDF Downloads 133
390 Numerical Simulation of Phase Transfer during Cryosurgery for an Irregular Tumor Using Hybrid Approach

Authors: Rama Bhargava, Surabhi Nishad

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The infusion of nanofluids has dramatically enhanced the heat-carrying capacity of the fluids, applicable to many engineering and medical process where the temperature below freezing is required. Cryosurgery is an efficient therapy for the treatment of cancer, but sometimes the excessive cooling may harm the nearby healthy cells. Efforts are therefore done to develop a model which can cause to generate the low temperature as required. In the present study, a mathematical model is developed based on the bioheat transfer equation to simulate the heat transfer from the probe on a tumor (with irregular domain) using the hybrid technique consisting of element free Galerkin method with αα-family of approximation. The probe is loaded will nano-particles. The effects of different nanoparticles, namely Al₂O₃, Fe₃O₄, Au on the heat-producing rate, is obtained. It is observed that the temperature can be brought to (60°C)-(-30°C) at a faster freezing rate on the infusion of different nanoparticles. Besides increasing the freezing rate, the volume of the nanoparticle can also control the size and growth of ice crystals formed during the freezing process. The study is also made to find the time required to achieve the desired temperature. The problem is further extended for multi tumors of different shapes and sizes. The irregular shape of the frozen domain and the direction of ice growth are very sensitive issues, posing a challenge for simulation. The Meshfree method has been one of the accurate methods in such problems as a domain is naturally irregular. The discretization is done using the nodes only. MLS approximation is taken in order to generate the shape functions. Sufficiently accurate results are obtained.

Keywords: cryosurgery, EFGM, hybrid, nanoparticles

Procedia PDF Downloads 105