Search results for: computational chemistry

Authors: Parvesh Singh, Vipan Kumar, Vishu Mehra

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Quinoline-4-ones represent an important class of heterocyclic scaffolds that have attracted significant interest due to their various biological and pharmacological activities. This heterocyclic unit also constitutes an integral component in drugs used for the treatment of neurodegenerative diseases, sleep disorders and in antibiotics viz. norfloxacin and ciprofloxacin. The synthetic accessibility and possibility of fictionalization at varied positions in quinoline-4-ones exemplifies an elegant platform for the designing of combinatorial libraries of functionally enriched scaffolds with a range of pharmacological profles. They are also considered to be attractive precursors for the synthesis of medicinally imperative molecules such as non-steroidal androgen receptor antagonists, antimalarial drug Chloroquine and martinellines with antibacterial activity. 2-Aryl-2,3-dihydroquinolin-4(1H)-ones are present in many natural and non-natural compounds and are considered to be the aza-analogs of favanones. The β-lactam class of antibiotics is generally recognized to be a cornerstone of human health care due to the unparalleled clinical efficacy and safety of this type of antibacterial compound. In addition to their biological relevance as potential antibiotics, β-lactams have also acquired a prominent place in organic chemistry as synthons and provide highly efficient routes to a variety of non-protein amino acids, such as oligopeptides, peptidomimetics, nitrogen-heterocycles, as well as biologically active natural and unnatural products of medicinal interest such as indolizidine alkaloids, paclitaxel, docetaxel, taxoids, cyptophycins, lankacidins, etc. A straight forward route toward the synthesis of quinoline-4-ones via the triflic acid assisted Fries rearrangement of N-aryl-βlactams has been reported by Tepe and co-workers. The ring expansion observed in this case was solely attributed to the inherent ring strain in β-lactam ring because -lactam failed to undergo rearrangement under reaction conditions. Theabovementioned protocol has been recently extended by our group for the synthesis of benzo[b]-azocinon-6-ones via a tandem Michael addition–Fries rearrangement of sorbyl anilides as well as for the single-pot synthesis of 2-aryl-quinolin-4(3H)-ones through the Fries rearrangement of 3-dienyl-βlactams. In continuation with our synthetic endeavours with the β-lactam ring and in view of the lack of convenient approaches for the synthesis of C-3 functionalized quinolin-4(1H)-ones, the present work describes the single-pot synthesis of C-3 functionalized quinolin-4(1H)-ones via the trific acid promoted Fries rearrangement of C-3 vinyl/isopropenyl substituted β-lactams. In addition, DFT calculations and MD simulations were performed to investigate the stability profles of synthetic compounds.

Keywords: dihydroquinoline, fries rearrangement, azetidin-2-ones, quinoline-4-ones

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Authors: Josif Figueroa, Kush Bubbar, Greg Young-Morris

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The reliability evaluation of composite generation and bulk transmission systems is crucial for ensuring a reliable supply of electrical energy to significant system load points. However, evaluating adequacy indices using probabilistic methods like sequential Monte Carlo Simulation can be computationally expensive. Despite this, it is necessary when time-varying and interdependent resources, such as renewables and energy storage systems, are involved. Recent advances in solving power network optimization problems and parallel computing have improved runtime performance while maintaining solution accuracy. This work introduces CompositeSystems, an open-source Composite System Reliability Evaluation tool developed in Julia™, to address the current deficiencies of commercial and non-commercial tools. This work introduces its design, validation, and effectiveness, which includes analyzing two different formulations of the Optimal Power Flow problem. The simulations demonstrate excellent agreement with existing published studies while improving replicability and reproducibility. Overall, the proposed tool can provide valuable insights into the performance of transmission systems, making it an important addition to the existing toolbox for power system planning.

Keywords: open-source software, composite system reliability, optimization methods, Monte Carlo methods, optimal power flow

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Authors: Kanduru Lokesh, Venkitasamy Kesavan

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The unique structural features of spiro-oxindoles with diverse biological activities have made them privileged structures in new drug discovery. The key structural characteristic of these compounds is the spiro ring fused at the C-3 position of the oxindole core with varied heterocyclic motifs. Structural diversification of heterocyclic scaffolds to synthesize new chemical entities as pharmaceuticals and agrochemicals is one of the important goals of synthetic organic chemists. Nitrogen and oxygen containing heterocycles are by far the most widely occurring privileged structures in medicinal chemistry. The structural complexity and distinct three-dimensional arrangement of functional groups of these privileged structures are generally responsible for their specificity against biological targets. Structurally diverse compound libraries have proved to be valuable assets for drug discovery against challenging biological targets. Thus, identifying a new combination of substituents at C-3 position on oxindole moiety is of great importance in drug discovery to improve the efficiency and efficacy of the drugs. The development of suitable methodology for the synthesis of spiro-oxindole compounds has attracted much interest often in response to the significant biological activity displayed by the both natural and synthetic compounds. So creating structural diversity of oxindole scaffolds is need of the decade and formidable challenge. A general way to improve synthetic efficiency and also to access diversified molecules is through the annulation reactions. Annulation reactions allow the formation of complex compounds starting from simple substrates in a single transformation consisting of several steps in an ecologically and economically favorable way. These observations motivated us to develop the annulation reaction protocol to enable the synthesis of a new class of spiro-oxindole motifs which in turn would enable the enhancement of molecular diversity. As part of our enduring interest in the development of novel, efficient synthetic strategies to enable the synthesis of biologically important oxindole fused spirocarbocyclic systems, We have developed an efficient methodology for the construction of highly functionalized spirocarbocyclic oxindoles through [4+2] annulation of phthalides via Hauser annulation. functionalized spirocarbocyclic oxindoles was accomplished for the first time in the literature using Hauser annulation strategy. The reaction between methyleneindolinones and arylsulfonylphthalides catalyzed by cesium carbonate led to the access of new class of biologically important spiro[indoline-3,2'-naphthalene] derivatives in very good yields. The synthetic utility of the annulated product was further demonstrated by fluorination Using NFSI as a fluorinating agent to furnish corresponding fluorinated product.

Keywords: Hauser-Kraus annulation, spiro carbocyclic oxindoles, oxindole-ester, fluoridation

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Authors: Tawfiq Chekifi, Brahim Dennai, Rachid Khelfaoui

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Over the last few decades, modeling immiscible fluids such as oil and water have been a classical research topic. Droplet-based microfluidics presents a unique platform for mixing, reaction, separation, dispersion of drops, and numerous other functions. For this purpose, several devices were studied, as well as microfluidic oscillator. The latter was obtained from wall attachment microfluidic amplifiers using a feedback loop from the outputs to the control inputs, nevertheless this device have not well used for microdrops applications. In this paper, we suggest a numerical CFD study of a microfluidic oscillator with two different lengths of feedback loop. In order to produce simultaneous microdrops of gasoil on water, a typical geometry that includes double T-junction is connected to the fluidic oscillator. The generation of microdrops is computed by volume-of-fluid method (VOF). Flow oscillations of microdrops were triggered by the Coanda effect of jet flow. The aim of work is to obtain a high oscillation frequency in output of this passive device, the influence of hydrodynamics and physics parameters on the microdrops frequency in the output of our microsystem is also analyzed, The computational results show that, the length of feedback loop, applied pressure on T-junction and interfacial tension have a significant effect on the dispersion of microdrops and its oscillation frequency. Across the range of low Reynold number, the microdrops generation and its dynamics have been accurately controlled by adjusting applying pressure ratio of two phases.

Keywords: fluidic oscillator, microdrops manipulation, VOF (volume of fluid method), microfluidic oscillator

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Authors: Norhan El Dallal

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The MENA region is a challenging, rapid urbanizing region, with a special profile; culturally, socially, economically and environmentally. Despite the diversity between different countries of the MENA region they all share similar urban challenges where extensive interventions are crucial. A climate sensitive region as the MENA region requires special attention for development, adaptation and mitigation. Integrating climatic and environmental parameters into the planning process to create a responsive urban form is the aim of this research in which “Parametric Urbanism” as a trend serves as a tool to reach a more sustainable urban morphology. An attempt to parameterize the relation between the climate and the urban form in a detailed manner is the main objective of the thesis. The aim is relating the different passive approaches suitable for the MENA region with the design guidelines of each and every part of the planning phase. Various conceptual scenarios for the network pattern and block subdivision generation based on computational models are the next steps after the parameterization. These theoretical models could be applied on different climatic zones of the dense communities of the MENA region to achieve an energy efficient neighborhood or city with respect to the urban form, morphology, and urban planning pattern. A final criticism of the theoretical model is to be conducted showing the feasibility of the proposed solutions economically. Finally some push and pull policies are to be proposed to help integrate these solutions into the planning process.

Keywords: parametric urbanism, climate responsive, urban form, urban and regional studies

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Authors: Fabienne Vozy, Anick Lepage

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Insects are displaying high nutritional value, low greenhouse gas emissions, low land use requirements and high food conversion efficiency. They can contribute to the food chain and be one of many solutions to protein shortages. Currently, in North America, nutritional entomology is under-developed and the needs to better understand its benefits remain to convince large-scale producers and consumers (both for human and agricultural needs). As such, large-scale production of mealworms offers a promising alternative to replacing traditional sources of protein and fatty acids. To proceed orderly, it is required to collect more data on the nutritional values of insects such as, a) Evaluate the diets of insects to improve their dietary value; b) Test the breeding conditions to optimize yields; c) Evaluate the use of by-products and organic residues as sources of food. Among the featured technical parameters, relative humidity (RH) percentage and temperature, optimal substrates and hydration sources are critical elements, thus establishing potential benchmarks for to optimize conversion rates of protein and fatty acids. This research is to establish the combination of the most influential rearing parameters with local food residues, to correlate the findings with the nutritional value of the larvae harvested. 125 same-monthly old adults/replica are randomly selected in the mealworm breeding pool then placed to oviposit in growth chambers preset at 26°C and 65% RH. Adults are removed after 7 days. Larvae are harvested upon the apparition of the first nymphosis signs and batches, are analyzed for their nutritional values using wet chemistry analysis. The first samples analyses include total weight of both fresh and dried larvae, residual humidity, crude proteins (CP%), and crude fats (CF%). Further analyses are scheduled to include soluble proteins and fatty acids. Although they are consistent with previous published data, the preliminary results show no significant differences between treatments for any type of analysis. Nutritional properties of each substrate combination have yet allowed to discriminate the most effective residue recipe. Technical issues such as the particles’ size of the various substrate combinations and larvae screen compatibility are to be investigated since it induced a variable percentage of lost larvae upon harvesting. To address those methodological issues are key to develop a standardized efficient procedure. The aim is to provide producers with easily reproducible conditions, without incurring additional excessive expenditure on their part in terms of equipment and workforce.

Keywords: entomophagy, nutritional value, rearing parameters optimization, Tenebrio molitor

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Authors: Zekang Lan, Yan Xu, Yingkun Huang, Dian Huang, Shengzhong Feng

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Jobs on high-performance computing (HPC) clusters can suffer significant performance degradation due to inter-job network interference. Topology-aware job allocation problem (TJAP) is such a problem that decides how to dedicate nodes to specific applications to mitigate inter-job network interference. In this paper, we study the window-based TJAP on a fat-tree network aiming at minimizing the cost of communication hop, a defined inter-job interference metric. The window-based approach for scheduling repeats periodically, taking the jobs in the queue and solving an assignment problem that maps jobs to the available nodes. Two special allocation strategies are considered, i.e., static continuity assignment strategy (SCAS) and dynamic continuity assignment strategy (DCAS). For the SCAS, a 0-1 integer programming is developed. For the DCAS, an approach called neural simulated algorithm (NSA), which is an extension to simulated algorithm (SA) that learns a repair operator and employs them in a guided heuristic search, is proposed. The efficacy of NSA is demonstrated with a computational study against SA and SCIP. The results of numerical experiments indicate that both the model and algorithm proposed in this paper are effective.

Keywords: high-performance computing, job allocation, neural simulated annealing, topology-aware

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Authors: Pooja Rani, G. S. Mahapatra, S. K. Pandey

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In this paper, we propose a novel approach of Neural Network and Particle Swarm Optimization methods for software reliability prediction. We first explain how to apply compound function in neural network so that we can derive a Flexible Logistic (S-shaped) Growth Curve (FLGC) model. This model mathematically represents software failure as a random process and can be used to evaluate software development status during testing. To avoid trapping in local minima, we have applied Particle Swarm Optimization method to train proposed model using failure test data sets. We drive our proposed model using computational based intelligence modeling. Thus, proposed model becomes Neuro-Particle Swarm Optimization (NPSO) model. We do test result with different inertia weight to update particle and update velocity. We obtain result based on best inertia weight compare along with Personal based oriented PSO (pPSO) help to choose local best in network neighborhood. The applicability of proposed model is demonstrated through real time test data failure set. The results obtained from experiments show that the proposed model has a fairly accurate prediction capability in software reliability.

Keywords: software reliability, flexible logistic growth curve model, software cumulative failure prediction, neural network, particle swarm optimization

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Authors: S. Anuradha, V. Sandeep Kumar

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The high Peak to Average Power Ratio (PAR) in Filter Bank Multicarrier with Offset Quadrature Amplitude Modulation (FBMC-OQAM) can significantly reduce power efficiency and performance. In this paper, we address the problem of PAPR reduction for FBMC-OQAM systems using Tone Reservation (TR) technique. Due to the overlapping structure of FBMCOQAM signals, directly applying TR schemes of OFDM systems to FBMC-OQAM systems is not effective. We improve the tone reservation (TR) technique by employing sliding window with Active Constellation Extension for the PAPR reduction of FBMC-OQAM signals, called sliding window tone reservation Active Constellation Extension (SW-TRACE) technique. The proposed SW-TRACE technique uses the peak reduction tones (PRTs) of several consecutive data blocks to cancel the peaks of the FBMC-OQAM signal inside a window, with dynamically extending outer constellation points in active(data-carrying) channels, within margin-preserving constraints, in order to minimize the peak magnitude. Analysis and simulation results compared to the existing Tone Reservation (TR) technique for FBMC/OQAM system. The proposed method SW-TRACE has better PAPR performance and lower computational complexity.

Keywords: FBMC-OQAM, peak-to-average power ratio, sliding window, tone reservation Active Constellation Extension

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Authors: Aleš Florian, Lenka Ševelová

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Complex sensitivity analysis of stresses in a concrete slab of the real type of rigid pavement made from recycled materials is performed. The computational model of the pavement is designed as a spatial (3D) model, is based on a nonlinear variant of the finite element method that respects the structural nonlinearity, enables to model different arrangements of joints, and the entire model can be loaded by the thermal load. Interaction of adjacent slabs in joints and contact of the slab and the subsequent layer are modeled with the help of special contact elements. Four concrete slabs separated by transverse and longitudinal joints and the additional structural layers and soil to the depth of about 3m are modeled. The thickness of individual layers, physical and mechanical properties of materials, characteristics of joints, and the temperature of the upper and lower surface of slabs are supposed to be random variables. The modern simulation technique Updated Latin Hypercube Sampling with 20 simulations is used. For sensitivity analysis the sensitivity coefficient based on the Spearman rank correlation coefficient is utilized. As a result, the estimates of influence of random variability of individual input variables on the random variability of principal stresses s1 and s3 in 53 points on the upper and lower surface of the concrete slabs are obtained.

Keywords: concrete, FEM, pavement, sensitivity, simulation

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Authors: Jirod Chaisan, Somchai Maneewan, Chantana Punlek, Ninnart Rachapradit, Surapong Chirarattananon, Pattana Rakkwamsuk

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In this paper, simulation modeling of heat transfer, air flow and distribution emitted from CO2 was performed in a regenerated air. The study room was divided in 3 types: common room, small lecture room and large lecture room under evaluated condition in two case: released and unreleased CO2 including of used hybrid air ventilation system for regenerated air under Thailand climate conditions. The carbon dioxide was located on the center of the room and released rate approximately 900-1200 ppm corresponded with indoor air quality standard (IAQs). The indoor air in the thermal comfort zone was calculated and simulated with the numerical method that using real data from the handbook guideline. The results of the study showed that in the case of hybrid air ventilation system explained thermal and CO2 distribution due to the system was adapted significantly in the comfort zone. The results showed that when CO2 released on the center of the other room, the CO2 high concentration in comfort zone so used hybrid air ventilation that decreased CO2 with regeneration air including of reduced temperature indoor. However, the study is simulation modeling and guideline only so the future should be the experiment of hybrid air ventilation system for evaluated comparison of the systems.

Keywords: air ventilation, indoor air quality, thermal comfort, thermoelectric, photovoltaic, dehumidify

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Authors: Celso L. Fernando, Toshio Yoshii, Takahiro Tsubota

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Understanding the causes of a road accident and predicting their occurrence is key to preventing deaths and serious injuries from road accident events. Traditional statistical methods such as the Poisson and the Logistics regressions have been used to find the association of the traffic environmental factors with the accident occurred; recently, an artificial neural network, ANN, a computational technique that learns from historical data to make a more accurate prediction, has emerged. Although the ability to make accurate predictions, the ANN has difficulty dealing with highly unbalanced attribute patterns distribution in the training dataset; in such circumstances, the ANN treats the minority group as noise. However, in the real world data, the minority group is often the group of interest; e.g., in the road traffic accident data, the events of the accident are the group of interest. This study proposes a combination of the k-means with the ANN to improve the predictive ability of the neural network model by alleviating the effect of the unbalanced distribution of the attribute patterns in the training dataset. The results show that the proposed method improves the ability of the neural network to make a prediction on a highly unbalanced distributed attribute patterns dataset; however, on an even distributed attribute patterns dataset, the proposed method performs almost like a standard neural network.

Keywords: accident risks estimation, artificial neural network, deep learning, k-mean, road safety

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Authors: Shryas Bhurat, Aryan Vashistha, Sampreet Dinakar Nayak, Ayush Gupta

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As the technology is advancing more towards high computational resources, there is a paradigm shift in the usage of these resources to optimize the design process. This paper discusses the usage of ‘Generative Design using Artificial Intelligence’ to build better models that adapt the operations like selection, mutation, and crossover to generate results. The human mind thinks of the simplest approach while designing an object, but the intelligence learns from the past & designs the complex optimized CAD Models. Generative Design takes the boundary conditions and comes up with multiple solutions with iterations to come up with a sturdy design with the most optimal parameter that is given, saving huge amounts of time & resources. The new production techniques that are at our disposal allow us to use additive manufacturing, 3D printing, and other innovative manufacturing techniques to save resources and design artistically engineered CAD Models. Also, this paper discusses the Genetic Algorithm, the Non-Domination technique to choose the right results using biomimicry that has evolved for current habitation for millions of years. The computer uses parametric models to generate newer models using an iterative approach & uses cloud computing to store these iterative designs. The later part of the paper compares the topology optimization technology with Generative Design that is previously being used to generate CAD Models. Finally, this paper shows the performance of algorithms and how these algorithms help in designing resource-efficient models.

Keywords: genetic algorithm, bio mimicry, generative modeling, non-dominant techniques

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Authors: Jean Pierre Ribeiro Daquila

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This paper aims to analyze the use of the Theory of Multiple Intelligences as a tool to facilitate students’ learning. This theory, proposed by the American psychologist and educator Howard Gardner, was first established in 1983 and advocates that human beings possess eight intelligence and not only one, as defended by psychologists prior to his theory. These intelligence are bodily-kinesthetic intelligence, musical, linguistic, logical-mathematical, spatial, interpersonal, intrapersonal, and naturalist. This paper will focus on bodily-kinesthetic intelligence. Spatial and bodily-kinesthetic intelligences are sensed by athletes, dancers, and others who use their bodies in ways that exceed normal abilities. These are intelligences that are closely related. A quarterback or a ballet dancer needs to have both an awareness of body motions and abilities as well as a sense of the space involved in the action. Nevertheless, there are many reasons which make classical ballet dance more integrated with other intelligences. Ballet dancers make it look effortless as they move across the stage, from the lifts to the toe points; therefore, there is acting both in the performance of the repertoire and in hiding the pain or physical stress. The ballet dancer has to have great mathematical intelligence to perform a fast allegro; for instance, each movement has to be executed in a specific millisecond. Flamenco dancers need to rely as well on their mathematic abilities, as the footwork requires the ability to make half, two, three, four or even six movements in just one beat. However, the precision of the arm movements is freer than in ballet dance; for this reason, ballet dancers need to be more holistically aware of their movements; therefore, our experiment will test whether this greater attention required by ballet dancers makes them acquire better results in the training sessions when compared to flamenco dancers. An experiment will be carried out in this study by training ballet dancers through dance (four years of experience dancing minimum – experimental group 1); a group of flamenco dancers (four years of experience dancing minimum – experimental group 2). Both experimental groups will be trained in two different domains – phonetics and chemistry – to examine whether there is a significant improvement in these areas compared to the control group (a group of regular students who will receive the same training through a traditional method). However, this paper will focus on phonetic training. Experimental group 1 will be trained with the aid of classical music plus bodily work. Experimental group 2 will be trained with flamenco rhythm and kinesthetic work. We would like to highlight that this study takes dance as an example of a possible area of strength; nonetheless, other types of arts can and should be used to support students, such as drama, creative writing, music and others. The main aim of this work is to suggest that other intelligences, in the case of this study, bodily-kinesthetic, can be used to help improve pronunciation.

Keywords: multiple intelligences, pronunciation, effective pronunciation trainings, short drills, musical intelligence, bodily-kinesthetic intelligence

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Authors: Mouna Hamed, Ammar B. Brahim

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The objective of this work was to develop a theoretical model to study the dynamic thermal behavior of a flat plate solar collector integrated with a phase change material (PCM). The PCM acted as a heat source for the solar system during low intensity solar radiation and night. The energy balance equations for the various components of the collector as well as for the PCM were formulated and numerically solved using MATLAB computational program. The effect of natural convection on heat during the melting process was taken into account by using an effective thermal conductivity. The model was used to investigate the effect of inlet water temperature, water mass flow rate, and PCM thickness on the outlet water temperature and the melt fraction during charging and discharging modes. A comparison with a collector without PCM was made. Results showed that charging and discharging processes of PCM have six stages. The adding of PCM caused a decrease in temperature during charge and an increase during discharge. The rise was most enhanced for higher inlet water temperature, PCM thickness and for lower mass flow rate. Analysis indicated that the complete melting time was shorter than the solidification time due to the high heat transfer coefficient during melting. The increases in PCM height and mass flow rate were not linear with the melting and solidification times.

Keywords: thermal energy storage, phase change material, melting, solidification

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Authors: Selfa Johnson Zwalnan, Nanchen Nimyel Caleb, Gideon Duvuna Ayuba

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Air conditioning accounts for a significant share of the overall energy consumed in residential buildings. Solar thermal gains in buildings account for a significant component of the air conditioning load in buildings. This study compares the solar thermal gain and air conditioning load of a proposed building design with a typical conventional building in the climatic conditions of Jos, Nigeria, using a combined experimental and computational method using TRNSYS software. According to the findings of this study, the proposed design building's annual average solar thermal gains are lower compared to the reference building's average solar heat gains. The study case building's decreased solar heat gain is mostly attributable to the somewhat lower temperature of the building zones because of the greater building volume and lower fenestration ratio (ratio of external opening area to the area of the external walls). This result shows that the innovative building design adjusts to the local climate better than the standard conventional construction in Jos to maintain a suitable temperature within the building. This finding means that the air-conditioning electrical energy consumption per volume of the proposed building design will be lower than that of a conventional building design.

Keywords: building simulation, solar gain, comfort temperature, temperature, carbon foot print

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Authors: Manoj Malviya, Shubham Shinde

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The present study focuses on the determination of torsional stiffness of a space frame chassis and comparison of elements used in the Finite Element Analysis of frame. The study also discusses various concepts and design aspects of a space frame chassis with the emphasis on their applicability in BAJA SAE vehicles. Torsional stiffness is a very important factor that determines the chassis strength, vehicle control, and handling. Therefore, it is very important to determine the torsional stiffness of the vehicle before designing an optimum chassis so that it should not fail during extreme conditions. This study determines the torsional stiffness of frame with respect to suspension shocks, roll-stiffness and anti-roll bar rates. A spring model is developed to study the effects of suspension parameters. The engine greatly contributes to torsional stiffness, and therefore, its effects on torsional stiffness need to be considered. Deflections in the tire have not been considered in the present study. The proper element shape should be selected to analyze the effects of various loadings on chassis while implementing finite element methods. The study compares the accuracy of results and computational time for different element types. Shape functions of these elements are also discussed. Modelling methodology is discussed for the multibody analysis of chassis integrated with suspension arms and engine. Proper boundary conditions are presented so as to replicate the real life conditions.

Keywords: space frame chassis, torsional stiffness, multi-body analysis of chassis, element selection

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Authors: Kevin Molina, Daniel Ortega, Manuel Martinez, Andres Gonzalez-Estrada, William Pinto

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Due to the increasing environmental impact, the wind energy is getting strong. This research studied the relationship between the power produced by a horizontal axis wind turbine (HAWT) and the aerodynamic profiles used for its construction. The analysis is studied using the Computational Fluid Dynamic (CFD), presenting the parallel between the energy generated by a turbine designed with selected profiles and another one optimized. For the study, a selection process was carried out from profile NACA 6 digits recommended by the National Renewable Energy Laboratory (NREL) for the construction of this type of turbines. The selection was taken into account different characteristics of the wind (speed and density) and the profiles (aerodynamic coefficients Cl and Cd to different Reynolds and incidence angles). From the selected profiles, was carried out a sensitivity analysis optimization process between its geometry and the aerodynamic forces that are induced on it. The 3D model of the turbines was realized using the Blade Element Momentum method (BEM) and both profiles. The flow fields on the turbines were simulated, obtaining the forces induced on the blade, the torques produced and an increase of 3% in power due to the optimized profiles. Therefore, the results show that the sensitivity analysis optimization process can assist to increment the wind turbine power.

Keywords: blade element momentum, blade, fluid structure interaction, horizontal axis wind turbine, profile design

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Authors: Haleema Sadia

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The study is aimed at exploring the identity construction of female British born Pakistani postgraduate student who shifted to Pakistan at the age of 12, stayed there for 8 years and re-shifted to UK for Higher Education. Research questions are: 1. What is the academic and socio-cultural background of the participant prior to joining the UoM as a postgrad student? 2. How the participant talk, see herself and act in relation to cultural and social norms and practices? Participant’ identity is explored through positioning theory of Holland et al. (1998), referring to the ways people understand and enact their social positions in the figured world. The research is a case study based on narrative interview of Shabana, a British-born Pakistani female postgraduate student, who has recently joined the university of Manchester. Shabana received her primary education in UK during the first twelve years of her life. She is the youngest among the three sisters, with only one brother younger to her. Her father, although not well educated is a successful entrepreneur, maintaining offices in UK and Pakistan. Her mother is a housewife with no formal education. Shabana’s elder sister got involved in a relationship with a Pakistani boy against cultural norms of arranged marriage. Resultantly the three sisters were shifted to Pakistan to be equated with socio-religious norms. Shabana termed her first year in Pakistan as disgusting and she hated her father for the decision. However after a year’s time and shifting from an orthodox city to the provincial capital Lahore, she developed liking for the Pakistani culture. She gradually developed a new socio-religious identity during her stay, which she expressed as a turning point in her life. After completing O level Shabana returned back to UK and joined the University of Hull as undergraduate Student. At Hull she remained isolated, missed the religious environment and relished the memories of Lahore. She would visit Pakistan almost three times a year. After obtaining her BSc degree from Hull she went back to Pakistan. Soon after she decided to improve her academic qualification. She came to UK to join her parents and got admission in the MSc chemistry program at UoM. Presently Shabana talks about the dominant role of male members in the family culture in decision-making. She strongly feels to struggle hard and attain equal status with males in education, employment, earning, authority and freedom. She sees herself in a position to share the authority with her (would be) husband in important family and other matters. Shabana has developed a new identity of a mix of both Pakistani and UK culture. She is appreciative of the socio-cultural values of UK while still regarding the cultural and religious values of Pakistan in high esteem.

Keywords: postgraduate students, identity construction, cultural shifts, female british pakistani student

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Authors: Ahmed Negm, George Aggidis, Xiandong Ma

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With the diverse nature of urban cities, customer demand patterns, landscape topologies or even seasonal weather trends; managing our water distribution networks (WDNs) has proved a complex task. These unpredictable circumstances manifest as pipe failures, intermittent supply and burst events thus adding to water loss, energy waste and increased carbon emissions. Whilst these events are unavoidable, advanced pressure management has proved an effective tool to control and mitigate them. Henceforth, water utilities have struggled with developing a real-time control method that is resilient when confronting the challenges of water distribution. In this paper we use deep reinforcement learning (DRL) algorithms as a novel pressure control strategy to minimise pressure violations and leakage under both burst and background leakage conditions. Agents based on asynchronous actor critic (A2C) and recurrent proximal policy optimisation (Recurrent PPO) were trained and compared to benchmarked optimisation algorithms (differential evolution, particle swarm optimisation. A2C manages to minimise leakage by 32.48% under burst conditions and 67.17% under background conditions which was the highest performance in the DRL algorithms. A2C and Recurrent PPO performed well in comparison to the benchmarks with higher processing speed and lower computational effort.

Keywords: deep reinforcement learning, pressure management, water distribution networks, leakage management

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Authors: Zia Ullah, Muhammad Asim, Shi Sujuan, Rayyan Khan, Aaqib Shaheen, LIU Haobao

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The plant-specific auxin efflux proteins PIN-FORMED (PIN) have been well depicted in many plant species for their essential roles in regulating the transport of auxins in several phases of plant growth. Little is known about the various functions of the PIN family genes in the Nicotiana tabacum (N. tabacum) species during plant growth. To define the expression pattern of the NtPIN1a gene under abiotic stresses and hormone treatment, transgenic tobacco with promoterNtPIN1a::GUS construct was employed. Comprehensive computational analyses of the NtPIN1a promoter confirmed the existence of common core promoter elements including CAAT-box, TATA-box, hormone, and abiotic stress-responsive elements such as ABRE, P-box, MYC, MYB, ARE, and GC-motifs. The transgenic plants with the promoter of NtPIN1a displayed a promising expression of β-glucuronidase (GUS) in germinating seeds, root tips, shoot-apex, and developing leaves under optimal conditions. While the differential expression of GUS in moderate salt, drought, low potassium stresses, and externally high auxin level at two different time points, suggested NtPIN1a played a key role in growth processes and the plants’ response to abiotic stresses. This analysis provides a foundation for more in-depth discoveries of the biological functions of NtPIN1a in Nicotiana species and this promoter may be employed in genetic engineering of other crops for enhanced stress tolerance.

Keywords: tobacco, nicotiana tabacum, pin, promoter, GUS, abiotic stresses, auxin

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Authors: Chaitanya R. Mali, V. Vinod, Ashwin W. Patwardhan

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Design of long vertical steam generator (SG) tubes in nuclear power plant involves an understanding of different aspects of flow boiling phenomenon such as flow instabilities, flow regimes, dry out, critical heat flux, pressure drop, etc. The knowledge of the prediction of local thermal hydraulic characteristics is necessary to understand these aspects. For this purpose, the methodology has been developed which covers all the flow boiling regimes to model full range flow boiling phenomenon. In this methodology, the vertical tube is divided into four sections based on vapor fraction value at the end of each section. Different modeling strategies have been applied to the different sections of the vertical tube. Computational fluid dynamics simulations have been performed on a vertical SG tube of 0.0126 m inner diameter and 23 m length. The thermal hydraulic parameters such as vapor fraction, liquid temperature, heat transfer coefficient, pressure drop, heat flux distribution have been analyzed for different designed heat duties (1.1 MW (20%) to 3.3 MW (60%)) and flow conditions (10 % to 80 %). The sensitivity of different boiling parameters such as bubble departure diameter, nucleation site density, bubble departure frequency on the thermal hydraulic parameters was also studied. Flow instability has been observed at 20 % designed heat duty and 20 % flow conditions.

Keywords: thermal hydraulics, boiling, vapor fraction, sensitivity

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Authors: Dawei Cai, Yuya Tokuda

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The market of localization based service (LBS) is expanding. The acquisition of physical location is the fundamental basis for LBS. GPS, the de facto standard for outdoor localization, does not work well in indoor environment due to the blocking of signals by walls and ceiling. To acquire high accurate localization in an indoor environment, many techniques have been developed. Triangulation approach is often used for identifying the location, but a heavy and complex computation is necessary to calculate the location of the distances between the object and several source points. This computation is also time and power consumption, and not favorable to a mobile device that needs a long action life with battery. To provide a low power consumption approach for a mobile device, this paper presents a fast calculation approach to identify the location of the object without online solving solutions to simultaneous quadratic equations. In our approach, we divide the location identification into two parts, one is offline, and other is online. In offline mode, we make a mapping process that maps the location area to distance space and find a simple formula that can be used to identify the location of the object online with very light computation. The characteristic of the approach is a good tradeoff between the accuracy and computational amount. Therefore, this approach can be used in smartphone and other mobile devices that need a long work time. To show the performance, some simulation experimental results are provided also in the paper.

Keywords: indoor localization, location based service, triangulation, fast calculation, mobile device

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Authors: Yuan Wan, Shumei Cui, Shaopeng Wu

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Toroidal windings were taken advantage of to reduce of axial length of the motor, so as to match the applications that have severe restrictions on the axial length. But slotting in the out edge of the stator will decrease the heat-dissipation capacity of the water cooling of the housing. Besides, the windings in the outer slots will increase the copper loss, which will further increase the difficult for heat dissipation of the motor. At present, carbon-fiber composite retaining sleeve are increasingly used to be mounted over the magnets to ensure the rotor strength at high speeds. Due to the poor thermal conductivity of carbon-fiber sleeve, the cooling of the rotor becomes very difficult, which may result in the irreversible demagnetization of magnets for the excessively high temperature. So it is necessary to analyze the temperature rise of such motor. This paper builds a computational fluid dynamic (CFD) model of a toroidal-winding high-speed permanent magnet synchronous motor (PMSM) with water cooling of housing and forced air cooling of rotor. Thermal analysis was carried out based on the model and the factors that affects the temperature rise were investigated. Then thermal optimization for the prototype was achieved. Finally, a small-size prototype was manufactured and the thermal analysis results were verified.

Keywords: thermal analysis, temperature rise, toroidal windings, high-speed PMSM, CFD

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Authors: Mokhtar Djeddou, Amine Mehel, Georges Fokoua, Anne Tanière, Patrick Chevrier

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Commuters' exposure to air pollution, particularly to particle matter, inside vehicles is a significant health issue. Assessing particles concentrations and characterizing their distribution is an important first step to understand and propose solutions to improve car cabin air quality. It is known that particles dynamics is intimately driven by particles-turbulence interactions. In order to analyze and model pollutants distribution inside the car the cabin, it is crucialto examine first the single-phase flow topology and turbulence characteristics. Within this context, Computational Fluid Dynamics (CFD) simulations were conducted to model airflow inside a full-scale car cabin using Reynolds Averaged Navier-Stokes (RANS)approach combined with the first order Realizable k- εmodel to close the RANS equations. To validate the numerical model, a campaign of velocity field measurements at different locations in the front and back of the car cabin has been carried out using hot-wire anemometry technique. Comparison between numerical and experimental results shows a good agreement of velocity profiles. Additionally, visualization of streamlines shows the formation of jet flow developing out of the dashboard air vents and the formation of large vortex structures, particularly in the back seats compartment. These vortex structures could play a key role in the accumulation and clustering of particles in a turbulent flow

Keywords: car cabin, CFD, hot wire anemometry, vortical flow

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Authors: Ngwa Lodence Njwe

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This study investigated the response of hemodialysis patients to an established nutrition therapy guide accompanied by a 7-day menu plan administered for a month. End Stage Renal Disease (ESRD), also known as End Stage Kidney Disease (ESKD), is a non-communicable disease primarily caused by hypertension and diabetes, posing significant challenges in both developed and developing nations. Hemodialysis is a key treatment for these patients. In this experimental study, 100 hemodialysis patients from Douala General Hospital in Cameroon participated. A questionnaire was used to collect data on sociodemographic and anthropometric characteristics, health status, and dietary intake, while medical records provided biomedical data. The levels of the biochemical parameters (Phosphorus, calcium and hemoglobin) were determined before and one month after the distribution of the nutrition education guide and the use of a 7-day menu plan. The Phosphorus and Calcium levels were measured using an LTCC03 semi-automatic chemistry analyzer. Blood was collected from each patient into a test tube, allowed to clot and centrifuged. 50µl of the serum was aspirated by the analyzer for Ca and P level analysis, and results were read from the display. The hemoglobin level was measured using the URIT–12 hemoglobin Meter. The blood sample was collected by hand prick and placed in a strip, and the results were read from the screen. The means of the biochemical parameters were then computed. The most prevalent age group was 40-49 years, with males constituting 70% and females 30% of respondents. Among these patients, 80% were hypertensive, 3% had both hypertension and diabetes, 9% were hypertensive, diabetic, and obese, and 1% suffered from hypertension and heart failure. Analysis of anthropometric parameters revealed a high prevalence of underweight, overweight, and obesity, highlighting the urgent need for targeted nutrition interventions to modify cooking methods, enhance food choices, and increase dietary variety for improved quality of life. Before the nutrition therapy guide was implemented, average calcium levels were 73.05 mg/L for males and 89.44 mg/L for females; post-implementation, these values increased to 77.55 mg/L and 91.44 mg/L, respectively. Conversely, average phosphorus levels decreased from 42.05 mg/L for males and 43.55 mg/L for females to 41.05 mg/L and 39.3 mg/L, respectively, after the intervention. Additionally, average hemoglobin levels increased from 8.35 g/dL for males and 8.5 g/dL for females to 9.2 g/dL and 8.95 g/dL, respectively. The findings confirm that the nutrition therapy guide and the 7-day menu significantly impacted the biomedical parameters of hemodialysis patients, underscoring the need for ongoing nutrition education and counseling for this population.

Keywords: end stage kidney disease, nutrition therapy guide, nutritional status, anthropometric parameters, food frequency, biomedical data

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Authors: Yuri Boiko, Ci Lin, Iluju Kiringa, Tet Yeap

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The performance of a BLDC motor controlled by the Kalman filter-based position-sensorless drive is studied in terms of its dependence on the system’s parameters' variations. The effects of system’s parameters changes on the dynamic behavior of state variables are verified. Simulated is a closed-loop control scheme with a Kalman filter in the feedback line. Distinguished are two separate data sampling modes in analyzing feedback output from the BLDC motor: (1) equal angular separation and (2) equal time intervals. In case (1), the data are collected via equal intervals Δθ of rotor’s angular position θᵢ, i.e., keeping Δθ=const. In case (2), the data collection time points tᵢ are separated by equal sampling time intervals Δt=const. Demonstrated are the effects of the parameters changes on the sensorless control flow, in particular, reduction of the torque ripples, switching spikes, torque load balancing. It is specifically shown that an efficient suppression of commutation induced torque ripples is achievable selection of the sampling rate in the Kalman filter settings above certain critical value. The computational cost of such suppression is shown to be higher for the motors with lower induction values of the windings.

Keywords: BLDC motor, Kalman filter, sensorless drive, state variables, torque ripples reduction, sampling rate

Procedia PDF Downloads 141

Authors: Chahad P. Alexandre

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PIBID-Institutional Program of Scholarships to Encourage Teaching - is a Brazilian government program that counts today with 48.000 students. It's goal is to motivate the students to stay in the teaching undergraduate programs and to help fill the gap of 100.000 teachers that are needed today in the under graduated schools. The major lack of teachers today is in physics, chemistry, mathematics, and biology. At IFSP-Itapetininga we formatted our physics PIBID based on practical activities. Our students are divided in two São Paulo state government high schools in the same city. The project proposes class activities based on experimentation, observation and understanding of physical phenomena. The didactical experiments are always in relation with the content that the teacher is working, he is the supervisor of the program in the school. Always before an experiment is proposed a little questionnaire to learn about the students preconceptions and one is filled latter to evaluate if now concepts have been created. This procedure is made in order to compare their previous knowledge and how it changed after the experiment is developed. The primary goal of our project is to make the Physics class more attractive to the students and to develop in high school students the interest in learning physics and to show the relation of Physics to the day by day and to the technological world. The objective of the experimental activities is to facilitate the understanding of the concepts that are worked on classes because under experimentation the PIBID scholarship student stimulate the curiosity of the high school student and with this he can develop the capacity to understand and identify the physical phenomena with concrete examples. Knowing how to identify this phenomena and where they are present at the high school student life makes the learning process more significant and pleasant. This proposal make achievable to the students to practice science, to appropriate of complex, in the traditional classes, concepts and overcoming the common preconception that physics is something distant and that is present only on books. This preconception is extremely harmful in the process of scientific knowledge construction. This kind of learning – through experimentation – make the students not only accumulate knowledge but also appropriate it, also to appropriate experimental procedures and even the space that is provided by the school. The PIBID scholarship students, as future teachers also have the opportunity to try experimentation classes, to intervene in the classes and to have contact with their future career. This opportunity allows the students to make important reflection about the practices realized and consequently about the learning methods. Due to this project, we found out that the high school students stay more time focused in the experiment compared to the traditional explanation teachers´ class. As a result in a class, as a participative activity, the students got more involved and participative. We also found out that the physics under graduated students drop out percentage is smaller in our Institute than before the PIBID program started.

Keywords: innovation, projects, PIBID, physics, pre-service teacher experiences

Procedia PDF Downloads 336

Authors: Akinbo Razak Yinka, Adesanya Kehinde Kazeem, Oladokun Oluwagbenga Peter

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Time series data are sequences of observations collected over a period of time. Such data can be used to predict health outcomes, such as disease progression, mortality, hospitalization, etc. The Statistical approach is based on mathematical models that capture the patterns and trends of the data, such as autocorrelation, seasonality, and noise, while Neural methods are based on artificial neural networks, which are computational models that mimic the structure and function of biological neurons. This paper compared both parametric and non-parametric time series models of patients treated for malaria in Maternal and Child Health Centres in Lagos State, Nigeria. The forecast methods considered linear regression, Integrated Moving Average, ARIMA and SARIMA Modeling for the parametric approach, while Multilayer Perceptron (MLP) and Long Short-Term Memory (LSTM) Network were used for the non-parametric model. The performance of each method is evaluated using the Mean Absolute Error (MAE), R-squared (R2) and Root Mean Square Error (RMSE) as criteria to determine the accuracy of each model. The study revealed that the best performance in terms of error was found in MLP, followed by the LSTM and ARIMA models. In addition, the Bootstrap Aggregating technique was used to make robust forecasts when there are uncertainties in the data.

Keywords: ARIMA, bootstrap aggregation, MLP, LSTM, SARIMA, time-series analysis

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Authors: Anna Stepien

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The paper presents the results of research on modifications of sand-lime bricks, especially using glass additives (glass fiber and glass sand) and other additives (e.g.:basalt&barite aggregate, lithium silicate and microsilica) as well. The main goal of this paper is to answer the question ‘How to use glass additives in the sand-lime mass and get a better bricks?’ The article contains information on modification of sand-lime bricks using glass fiber, glass sand, microsilica (different structure of silica). It also presents the results of the conducted compression tests, which were focused on compressive strength, water absorption, bulk density, and their microstructure. The Scanning Electron Microscope, spectrum EDS, X-ray diffractometry and DTA analysis helped to define the microstructural changes of modified products. The interpretation of the products structure revealed the existence of diversified phases i.e.the C-S-H and tobermorite. CaO-SiO2-H2O system is the object of intensive research due to its meaning in chemistry and technologies of mineral binding materials. Because the blocks are the autoclaving materials, the temperature of hydrothermal treatment of the products is around 200°C, the pressure - 1,6-1,8 MPa and the time - up to 8hours (it means: 1h heating + 6h autoclaving + 1h cooling). The microstructure of the products consists mostly of hydrated calcium silicates with a different level of structural arrangement. The X-ray diffraction indicated that the type of used sand is an important factor in the manufacturing of sand-lime elements. Quartz sand of a high hardness is also a substrate hardly reacting with other possible modifiers, which may cause deterioration of certain physical and mechanical properties. TG and DTA curves show the changes in the weight loss of the sand-lime bricks specimen against time as well as the endo- and exothermic reactions that took place. The endothermic effect with the maximum at T=573°C is related to isomorphic transformation of quartz. This effect is not accompanied by a change of the specimen weight. The next endothermic effect with the maximum at T=730-760°C is related to the decomposition of the calcium carbonates. The bulk density of the brick it is 1,73kg/dm3, the presence of xonotlite in the microstructure and significant weight loss during DTA and TG tests (around 0,6% after 70 minutes) have been noticed. Silicate elements were assessed on the basis of their compressive property. Orthogonal compositional plan type 3k (with k=2), i.e.full two-factor experiment was applied in order to carry out the experiments both, in the compression strength test and bulk density test. Some modification (e.g.products with barite and basalt aggregate) have improved the compressive strength around 41.3 MPa and water absorption due to capillary raising have been limited to 12%. The next modification was adding glass fiber to sand-lime mass, then glass sand. The results show that the compressive strength was higher than in the case of traditional bricks, while modified bricks were lighter.

Keywords: bricks, fiber, glass, microstructure

Procedia PDF Downloads 343