Search results for: kinetic modeling

Authors: Ram V. Mohan, John Rivas-Murillo, Ahmed Mohamed, Wayne D. Hodo

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Cementitious materials, an excellent example of highly complex, heterogeneous material systems, are cement-based systems that include cement paste, mortar, and concrete that are heavily used in civil infrastructure; though commonly used are one of the most complex in terms of the material morphology and structure than most materials, for example, crystalline metals. Processes and features occurring at the nanometer sized morphological structures affect the performance, deformation/failure behavior at larger length scales. In addition, cementitious materials undergo chemical and morphological changes gaining strength during the transient hydration process. Hydration in cement is a very complex process creating complex microstructures and the associated molecular structures that vary with hydration. A fundamental understanding can be gained through multi-scale level modeling for the behavior and properties of cementitious materials starting from the material chemistry level atomistic scale to further explore their role and the manifested effects at larger length and engineering scales. This predictive modeling enables the understanding, and studying the influence of material chemistry level changes and nanomaterial additives on the expected resultant material characteristics and deformation behavior. Atomistic-molecular dynamic level modeling is required to couple material science to engineering mechanics. Starting at the molecular level a comprehensive description of the material’s chemistry is required to understand the fundamental properties that govern behavior occurring across each relevant length scale. Material chemistry level models and molecular dynamics modeling and simulations are employed in our work to describe the molecular-level chemistry features of calcium-silicate-hydrate (CSH), one of the key hydrated constituents of cement paste, their associated deformation and failure. The molecular level atomic structure for CSH can be represented by Jennite mineral structure. Jennite has been widely accepted by researchers and is typically used to represent the molecular structure of the CSH gel formed during the hydration of cement clinkers. This paper will focus on our recent work on the shear and compressive deformation and failure behavior of CSH represented by Jennite mineral structure that has been widely accepted by researchers and is typically used to represent the molecular structure of CSH formed during the hydration of cement clinkers. The deformation and failure behavior under shear and compression loading deformation in traditional hydrated CSH; effect of material chemistry changes on the predicted stress-strain behavior, transition from linear to non-linear behavior and identify the on-set of failure based on material chemistry structures of CSH Jennite and changes in its chemistry structure will be discussed.

Keywords: cementitious materials, deformation, failure, material chemistry modeling

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Authors: Chang Qin, Daham Mustafa, Abderrahmane Khiat, Pierre Bienert, Paulo Zanini

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Nowadays, companies are facing lots of challenges in the process of digital transformation, which can be a complex and costly undertaking. Digital transformation involves the collection and analysis of large amounts of data, which can create challenges around data management and governance. Furthermore, it is also challenged to integrate data from multiple systems and technologies. Although with these pains, companies are still pursuing digitalization because by embracing advanced technologies, companies can improve efficiency, quality, decision-making, and customer experience while also creating different business models and revenue streams. In this paper, the issue that data is stored in data silos with different schema and structures is focused. The conventional approaches to addressing this issue involve utilizing data warehousing, data integration tools, data standardization, and business intelligence tools. However, these approaches primarily focus on the grammar and structure of the data and neglect the importance of semantic modeling and semantic standardization, which are essential for achieving data interoperability. In this session, the challenge of data silos in Industry 4.0 is addressed by developing a semantic modeling approach compliant with Asset Administration Shell (AAS) models as an efficient standard for communication in Industry 4.0. The paper highlights how our approach can facilitate the data mapping process and semantic lifting according to existing industry standards such as ECLASS and other industrial dictionaries. It also incorporates the Asset Administration Shell technology to model and map the company’s data and utilize a knowledge graph for data storage and exploration.

Keywords: data interoperability in industry 4.0, digital integration, industrial dictionary, semantic modeling

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Authors: Vladimir Messerle, Alexandr Ustimenko, Oleg Lavrichshev

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To enhance the efficiency of solid fuels’ use, to decrease the fuel oil rate in the thermal power plants fuel balance and to minimize harmful emissions, a plasma technology of coal ignition, gasification and incineration is successfully applied. This technology is plasma thermochemical preparation of fuel for burning (PTCPF). In the framework of this concept, some portion of pulverized solid fuel (PF) is separated from the main PF flow and undergone the activation by arc plasma in a specific chamber with plasma torch – PFS. The air plasma flame is a source of heat and additional oxidation, it provides a high-temperature medium enriched with radicals, where the fuel mixture is heated, volatile components of coal are extracted, and carbon is partially gasified. This active blended fuel can ignite the main PF flow supplied into the furnace. This technology provides the boiler start-up and stabilization of PF flame and eliminates the necessity for addition of highly reactive fuel. In the report, a model of PTCPF, implemented as a program PlasmaKinTherm for the PFS calculation is described. The model combines thermodynamic and kinetic methods for describing the process of PTCPF in PFS. The numerical investigation of operational parameters of PFS depending on the electric power of the plasma generator and steam coal ash content revealed the temperature and velocity of gas and coal particles, and concentrations of PTCPF products dependences on the PFS length. Main mechanisms of PTCPF were disclosed. It was found that in the range of electric power of plasma generator from 40 to 100 kW high ash bituminous coal, having consumption 1667 kg/h is ignited stably. High level of temperature (1740 K) and concentration of combustible components (44%) at the PFS exit is a confirmation of it. Augmentation in power of plasma generator results displacement maxima temperatures and speeds of PTCPF products upstream (in the direction of the plasma source). The maximum temperature and velocity vary in a narrow range of values and practically do not depend on the power of the plasma torch. The numerical study of indicators of the process of PTCPF depending on the ash content in the range of its values 20-70% demonstrated that at the exit of PFS concentration of combustible components decreases with an increase in coal ash, the temperature of the gaseous products is increasing, and coal carbon conversion rate is increased to a maximum value when the ash content of 60%, dramatically decreasing with further increase in the ash content.

Keywords: coal, efficiency, ignition, numerical modeling, plasma generator, plasma-fuel system

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Authors: Lotfi O. Gargab, Ruichong R. Zhang

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A wave-based framework is presented for modeling seismic motion in multistory buildings and using measured response for system identification which can be utilized to extract important information regarding structure integrity. With one pair of building response at two locations, a generalized model response is formulated based on wave propagation features and expressed as frequency and time response functions denoted, respectively, as GFRF and GIRF. In particular, GIRF is fundamental in tracking arrival times of impulsive wave motion initiated at response level which is dependent on local model properties. Matching model and measured-structure responses can help in identifying model parameters and infer building properties. To show the effectiveness of this approach, the Millikan Library in Pasadena, California is identified with recordings of the Yorba Linda earthquake of September 3, 2002.

Keywords: system identification, continuous-discrete mass modeling, damage detection, post-earthquake

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Authors: Elhameh Narimani, Mikhail Sorin, Philippe Micheau, Hakim Nesreddine

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Numerical models of the heat exchangers in ejector refrigeration system (ERS) were developed and validated with the experimental data. The models were based on the switched heat exchangers model using the moving boundary method, which were capable of estimating the zones’ lengths, the outlet temperatures of both sides and the heat loads at various experimental points. The developed models were utilized to investigate the influence of the primary flow pressure on the performance of an R245fa ERS based on its coefficient of performance (COP) and exergy efficiency. It was illustrated numerically and proved experimentally that increasing the primary flow pressure slightly reduces the COP while the exergy efficiency goes through a maximum before decreasing.

Keywords: Coefficient of Performance, COP, Ejector Refrigeration System, ERS, exergy efficiency (ηII), heat exchangers modeling, moving boundary method

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Authors: A. Assif

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This paper presents the modeling of a prototype distribution static compensator (D-STATCOM) for voltage sag and swell mitigation in an unbalanced distribution system. Here the concept that an inverter can be used as generalized impedance converter to realize either inductive or capacitive reactance has been used to mitigate power quality issues of distribution networks. The D-STATCOM is here supposed to replace the widely used StaticVar Compensator (SVC). The scheme is based on the Voltage Source Converter (VSC) principle. In this model PWM based control scheme has been implemented to control the electronic valves of VSC. Phase shift control Algorithm method is used for converter control. The D-STATCOM injects a current into the system to mitigate the voltage sags. In this paper the modeling of D¬STATCOM has been designed using MATLAB SIMULINIC. Accordingly, simulations are first carried out to illustrate the use of D-STATCOM in mitigating voltage sag in a distribution system. Simulation results prove that the D-STATCOM is capable of mitigating voltage sag as well as improving power quality of a system.

Keywords: D-STATCOM, voltage sag, voltage source converter (VSC), phase shift control

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Authors: Youping Dai, Xinping Dai, Xiaoyun Li

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In this paper, the effect of Cosmic Background Gravitational Potential (CBGP) was discussed. It is helpful to reveal the equivalence of gravitational and inertial mass, and to understand the origin of inertia. The derivation is similar to the classic approach adopted by Landau in the book 'Classical Theory of Fields'.The main differences are that we used CBGP = Lambda^2 instead of c^2, and used CBGP energy E = m*Lambda^2 instead of kinetic energy E = (1/2)m*v^2 as initial assumptions (where Lambda has the same units for measuring velocity). It showed that Lorentz transformation, rest energy and Newtonian mechanics are all affected by $CBGP$, and the square of the speed of light is equal to CBGP too. Finally, the top value of cosmic mass density and cosmic radius were discussed.

Keywords: the origin of inertia, Mach's principle, equivalence principle, cosmic background potential

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Authors: Sofia Lazareva, Artem Smolentsev

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Fluorescent photochromic materials collect strong interest due to their possible application in organic photonics such as optical logic systems, optical memory, visualizing sensors, as well as characterization of polymers and biological systems. In photochromic fluorescence switching systems the emission of fluorophore is modulated between ‘on’ and ‘off’ via the photoisomerization of photochromic moieties resulting in effective resonance energy transfer (FRET). In current work, we have studied both photochromic and fluorescent properties of several diarylethenes. It was found that coloured forms of these compounds are not fluorescent because of the efficient intramolecular energy transfer. Spectral and photochromic parameters of investigated substances have been measured in five solvents having different polarity. Quantum yields of photochromic transformation A↔B ΦA→B and ΦB→A as well as B isomer extinction coefficients were determined by kinetic method. It was found that the photocyclization reaction quantum yield of all compounds decreases with the increase of solvent polarity. In addition, the solvent polarity is revealed to affect fluorescence significantly. Increasing of the solvent dielectric constant was found to result in a strong shift of emission band position from 450 nm (nhexane) to 550 nm (DMSO and ethanol) for all three compounds. Moreover, the emission intensive in polar solvents becomes weak and hardly detectable in n-hexane. The only one exception in the described dependence is abnormally low fluorescence quantum yield in ethanol presumably caused by the loss of electron-donating properties of nitrogen atom due to the protonation. An effect of the protonation was also confirmed by the addition of concentrated HCl in solution resulting in a complete disappearance of the fluorescent band. Excited state dynamics were investigated by ultrafast optical spectroscopy methods. Kinetic curves of excited states absorption and fluorescence decays were measured. Lifetimes of transient states were calculated from the data measured. The mechanism of ring opening reaction was found to be polarity dependent. Comparative analysis of kinetics measured in acetonitrile and hexane reveals differences in relaxation dynamics after the laser pulse. The most important fact is the presence of two decay processes in acetonitrile, whereas only one is present in hexane. This fact supports an assumption made on the basis of steady-state preliminary experiments that in polar solvents occur stabilization of TICT state. Thus, results achieved prove the hypothesis of two channel mechanism of energy relaxation of compounds studied.

Keywords: diarylethenes, fluorescence switching, FRET, photochromism, TICT state

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Authors: Tolga Barisik, Ali Fuat Guneri, K. Dastan

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Major industrial facilities have a high potential for fire risk. In particular, the indices used for the detection of hidden fire are used very effectively in order to prevent the fire from becoming dangerous in the initial stage. These indices provide the opportunity to prevent or intervene early by determining the stage of the fire, the potential for hazard, and the type of the combustion agent with the percentage values of the ambient air components. In this system, artificial neural network will be modeled with the input data determined using the Levenberg-Marquardt algorithm, which is a multi-layer sensor (CAA) (teacher-learning) type, before modeling the modeling methods in the literature. The actual values produced by the indices will be compared with the outputs produced by the network. Using the neural network and the curves to be created from the resulting values, the feasibility of performance determination will be investigated.

Keywords: artifical neural networks, fire, Graham Index, levenberg-marquardt algoritm, oxygen decrease percentage index, risk assessment, Trickett Index

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Authors: Azar Khodabakhshi, Elham Bolandnazar

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Agriculture as the most important food manufacturing sector is not only the energy consumer, but also is known as energy supplier. Using energy is considered as a helpful parameter for analyzing and evaluating the agricultural sustainability. In this study, the pattern of energy consumption of strawberry greenhouses of Jiroft in Kerman province of Iran was surveyed. The total input energy required in the strawberries production was calculated as 113314.71 MJ /ha. Electricity with 38.34% contribution of the total energy was considered as the most energy consumer in strawberry production. In this study, Neuro Fuzzy networks was used for function modeling in the production of strawberries. Results showed that the best model for predicting the strawberries function had a correlation coefficient, root mean square error (RMSE) and mean absolute percentage error (MAPE) equal to 0.9849, 0.0154 kg/ha and 0.11% respectively. Regards to these results, it can be said that Neuro Fuzzy method can be well predicted and modeled the strawberry crop function.

Keywords: crop yield, energy, neuro-fuzzy method, strawberry

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Authors: Vytautas Galvanauskas, Vykantas Grincas, Rimvydas Simutis

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This paper investigates a possible practical solution for reasonable oxygen supply during the pluripotent stem cells expansion processes, where the stem cells propagate as aggregates in stirred-suspension bioreactors. Low glucose and low oxygen concentrations are preferred for efficient proliferation of pluripotent stem cells. However, strong oxygen limitation, especially inside of cell aggregates, can lead to cell starvation and death. In this research, the oxygen concentration profile inside of stem cell aggregates in a stem cell expansion process was predicted using a modified oxygen diffusion model. This profile can be realized during the stem cells cultivation process by manipulating the oxygen concentration in inlet gas or inlet gas flow. The proposed approach is relatively simple and may be attractive for installation in a real pluripotent stem cell expansion processes.

Keywords: aggregated stem cells, dissolved oxygen profiles, modeling, stirred-tank, 3D expansion

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Authors: Trudon Kabangu Mpinga, Ruth Mutala, Shaloom Mbambu, Yvette Kalubi Kashama, Kabeya Mukeba Yakasham

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A mathematical model is developed to describe the contact dynamics between the landing gear wheels of an aircraft and a wet pavement during landing. The model is based on nonlinear partial differential equations, using the Yakam Matrix to account for the interaction between solid, liquid, and solid phases. This framework incorporates the influence of environmental factors, particularly water or rain on the runway, on braking performance and aircraft stability. Given the absence of exact analytical solutions, our approach enhances the understanding of key physical phenomena, including Coulomb friction forces, hydrodynamic effects, and the deformation of the pavement under the aircraft's load. Additionally, the dynamics of aquaplaning are simulated numerically to estimate the braking performance limits on wet surfaces, thereby contributing to strategies aimed at minimizing risk during landing on wet runways.

Keywords: aircraft, modeling, simulation, yakam matrix, contact, wet runway

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Authors: Dimitra Marini, Konstantinos Bakogiannis, Spyros Polychronopoulos, Georgios Kouroupetroglou

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Archaemusicology cannot entirely depend on the study of the excavated ancient musical instruments as most of the time their condition is not ideal (i.e., missing/eroded parts) and moreover, because of the concern damaging the originals during the experiments. Researchers, in order to overcome the above obstacles, build replicas. This technique is still the most popular one, although it is rather expensive and time-consuming. Throughout the last decades, the development of physical modeling techniques has provided tools that enable the study of musical instruments through their digitally simulated models. This is not only a more cost and time-efficient technique but also provides additional flexibility as the user can easily modify parameters such as their geometrical features and materials. This paper thoroughly describes the steps to create a physical model of a woodwind ancient Greek instrument, Plagiaulos. This instrument could be considered as the ancestor of the modern flute due to the common geometry and air-jet excitation mechanism. Plagiaulos is comprised of a single resonator with an open end and a number of tone holes. The combination of closed and open tone holes produces the pitch variations. In this work, the effects of all the instrument’s components are described by means of physics and then simulated based on digital waveguides. The synthesized sound of the proposed model complies with the theory, highlighting its validity. Further, the synthesized sound of the model simulating the Plagiaulos of Koile (2nd century BCE) was compared with its replica build in our laboratory by following the scientific methodologies of archeomusicology. The aforementioned results verify that robust dynamic digital tools can be introduced in the field of computational, experimental archaemusicology.

Keywords: archaeomusicology, digital waveguides, musical acoustics, physical modeling

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Authors: Azene Zenebe

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Deep learning is a subset of machine learning which incorporates techniques for the construction of artificial neural networks and found to be useful for modeling complex problems with large dataset. Deep learning requires a very high power computational and longer time for training. By aggregating computing power, high performance computer (HPC) has emerged as an approach to resolving advanced problems and performing data-driven research activities. Cyber threat intelligence (CIT) is actionable information or insight an organization or individual uses to understand the threats that have, will, or are currently targeting the organization. Results of review of literature will be presented along with results of experimental study that compares the performance of tree-based and function-base machine learning including deep learning algorithms using secondary dataset collected from darknet.

Keywords: deep-learning, cyber security, cyber threat modeling, tree-based machine learning, function-based machine learning, data science

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Authors: Lunliang Zhong, Bin Duan

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The undergraduate graduation project is a vital part of the higher education curriculum, crucial for engineering accreditation. Current evaluations often summarize data without identifying underlying issues. This study applies the Peter-Clark algorithm to analyze causal relationships within the graduation project data of an Electronics and Information Engineering program, creating a causal model. Structural equation modeling confirmed the model's validity. The analysis reveals key teaching stages affecting project success, uncovering problems in the process. Introducing causal discovery and inference into project evaluation helps identify issues and propose targeted improvement measures. The effectiveness of these measures is validated by comparing the learning outcomes of two student cohorts, stratified by confounding factors, leading to improved teaching quality.

Keywords: causal discovery, causal inference, continuous improvement, Peter-Clark algorithm, structural equation modeling

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Authors: Wala A. Bagunaid, Maram Meccawy, Arwa Allinjawi, Zilal Meccawy

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Continuous self-assessment becomes crucial in self-paced online learning environments. Students often depend on themselves to assess their progress; which is considered an essential requirement for any successful learning process. Today’s education institutions face major problems around student motivation and engagement. Thus, personalized e-learning systems aim to help and guide the students. Gamification provides an opportunity to help students for self-assessment and social comparison with other students through attempting to harness the motivational power of games and apply it to the learning environment. Furthermore, Open Social Student Modeling (OSSM) as considered as the latest user modeling technologies is believed to improve students’ self-assessment and to allow them to social comparison with other students. This research integrates OSSM approach and gamification concepts in order to provide self-assessment for English language learners at King Abdulaziz University (KAU). This is achieved through an interactive visual representation of their learning progress.

Keywords: e-learning system, gamification, motivation, social comparison, visualization

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Authors: Charbel Aoun, Loic Lagadec

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A Sensor Network (SN) is considered as an operation of two phases: (1) the observation/measuring, which means the accumulation of the gathered data at each sensor node; (2) transferring the collected data to some processing center (e.g., Fusion Servers) within the SN. Therefore, an underwater sensor network can be defined as a sensor network deployed underwater that monitors underwater activity. The deployed sensors, such as Hydrophones, are responsible for registering underwater activity and transferring it to more advanced components. The process of data exchange between the aforementioned components perfectly defines the Marine Observatory (MO) concept which provides information on ocean state, phenomena and processes. The first step towards the implementation of this concept is defining the environmental constraints and the required tools and components (Marine Cables, Smart Sensors, Data Fusion Server, etc). The logical and physical components that are used in these observatories perform some critical functions such as the localization of underwater moving objects. These functions can be orchestrated with other services (e.g. military or civilian reaction). In this paper, we present an extension to our MO meta-model that is used to generate a design tool (ArchiMO). We propose new constraints to be taken into consideration at design time. We illustrate our proposal with an example from the MO domain. Additionally, we generate the corresponding simulation code using our self-developed domain-specific model compiler. On the one hand, this illustrates our approach in relying on Enterprise Architecture (EA) framework that respects: multiple views, perspectives of stakeholders, and domain specificity. On the other hand, it helps reducing both complexity and time spent in design activity, while preventing from design modeling errors during porting this activity in the MO domain. As conclusion, this work aims to demonstrate that we can improve the design activity of complex system based on the use of MDE technologies and a domain-specific modeling language with the associated tooling. The major improvement is to provide an early validation step via models and simulation approach to consolidate the system design.

Keywords: smart sensors, data fusion, distributed fusion architecture, sensor networks, domain specific modeling language, enterprise architecture, underwater moving object, localization, marine observatory, NS-3, IMS

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Authors: Zainab D. Abd Ali, Thamir H. Khalaf

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In this paper, the characteristics of electric discharge in gap between two (parallel-plate) dielectric plates are studies, the gap filled with Argon gas in atm pressure at ambient temperature, the thickness of gap typically less than 1 mm and dielectric may be up 10 cm in diameter. One of dielectric plates a sinusoidal voltage is applied with Rf frequency, the other plates is electrically grounded. The simulation in this work depending on Boltzmann equation solver in first few moments, fluid model and plasma chemistry, in one dimensional modeling. This modeling have insight into characteristics of Dielectric Barrier Discharge through studying properties of breakdown of gas, electric field, electric potential, and calculating electron density, mean electron energy, electron current density ,ion current density, total plasma current density. The investigation also include: 1. The influence of change in thickness of gap between two plates if we doubled or reduced gap to half. 2. The effect of thickness of dielectric plates. 3. The influence of change in type and properties of dielectric material (gass, silicon, Teflon).

Keywords: computational diagnostics, Boltzmann equation, electric discharge, electron density

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Authors: Su Chul Han, Seungwoo Park

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As the increasing incidence of cancer, the technology and modality of radiotherapy have advanced and the importance of preclinical model is increasing in the cancer research. Furthermore, the small animal dosimetry is an essential part of the evaluation of the relationship between the absorbed dose in preclinical small animal and biological effect in preclinical study. In this study, we carried out realistic modeling of the preclinical small animal phantom possible to verify irradiated dose using commercial software. The small animal phantom was modeling from 4D Digital Mouse whole body phantom. To manipulate Moby phantom in commercial software (Mimics, Materialise, Leuven, Belgium), we converted Moby phantom to DICOM image file of CT by Matlab and two- dimensional of CT images were converted to the three-dimensional image and it is possible to segment and crop CT image in Sagittal, Coronal and axial view). The CT images of small animals were modeling following process. Based on the profile line value, the thresholding was carried out to make a mask that was connection of all the regions of the equal threshold range. Using thresholding method, we segmented into three part (bone, body (tissue). lung), to separate neighboring pixels between lung and body (tissue), we used region growing function of Mimics software. We acquired 3D object by 3D calculation in the segmented images. The generated 3D object was smoothing by remeshing operation and smoothing operation factor was 0.4, iteration value was 5. The edge mode was selected to perform triangle reduction. The parameters were that tolerance (0.1mm), edge angle (15 degrees) and the number of iteration (5). The image processing 3D object file was converted to an STL file to output with 3D printer. We modified 3D small animal file using 3- Matic research (Materialise, Leuven, Belgium) to make space for radiation dosimetry chips. We acquired 3D object of realistic small animal phantom. The width of small animal phantom was 2.631 cm, thickness was 2.361 cm, and length was 10.817. Mimics software supported efficiency about 3D object generation and usability of conversion to STL file for user. The development of small preclinical animal phantom would increase reliability of verification of absorbed dose in small animal for preclinical study.

Keywords: mimics, preclinical small animal, segmentation, 3D printer

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Authors: Mesfin Angaw Tesfay

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Uridine-5’-diphosphate (UDP)-glucose is one of the most versatile building blocks within the metabolism of prokaryotes and eukaryotes, serving as an activated sugar donor during the glycosylation of natural products. It is formed by the enzyme UDP-glucose pyrophosphorylase (UGPase) using uridine-5′-triphosphate (UTP) and α-d-glucose 1-phosphate as a substrate. Herein, two UGPase genes from Lactobacillus kefiranofaciens ZW3 (LkUGPase) and Rhodococcus wratislaviensis IFP 2016 (RwUGPase) were identified through genome mining approaches. The LkUGPase and RwUGPase have 299 and 306 amino acids, respectively. Both UGPase has the conserved UTP binding site (G-X-G-T-R-X-L-P) and the glucose -1-phosphate binding site (V-E-K-P). The LkUGPase and RwUGPase were cloned in E. coli, and SDS-PAGE analysis showed the expression of both enzymes forming about 36 KDa of protein band after induction. LkUGPase and RwUGPase have an activity of 1549.95 and 671.53 U/mg, respectively. Currently, their kinetic properties are under investigation.

Keywords: UGPase, LkUGPase, RwUGPase, UDP-glucose, glycosylation

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Authors: M. Unis, S. Turky, A. Elalem, A. Meshrghi

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The Esterification kinetics of acetic acid with isopropnol in the presence of sulfuric acid as a homogenous catalyst was studied with isothermal batch experiments at 60,70 and 80°C and at a different molar ratio of isopropnol to acetic acid. Investigation of kinetics of the reaction indicated that the low of molar ratio is favored for esterification reaction, this is due to the reaction is catalyzed by acid. The maximum conversion, approximately 60.6% was obtained at 80°C for molar ratio of 1:3 acid : alcohol. It was found that increasing temperature of the reaction, increases the rate constant and conversion at a certain mole ratio, that is due to the esterification is exothermic. The homogenous reaction has been described with simple power-law model. The chemical equilibrium combustion calculated from the kinetic model in agreement with the measured chemical equilibrium.

Keywords: artificial flavors, esterification, chemical equilibria, isothermal

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Authors: Kalu Uka Orji, Nasiman Sapari, Khamaruzaman W. Yusof

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Exposure of galena (PbS), tealite (PbSnS2), and other associated minerals during mining activities release lead (Pb) and other heavy metals into the mining water through oxidation and dissolution. Heavy metal pollution has become an environmental challenge. Lead, for instance, can cause toxic effects to human health, including brain damage. Ex-mining pond water was reported to contain lead as high as 69.46 mg/L. Conventional treatment does not easily remove lead from water. A promising and emerging treatment technology for lead removal is the application of the electrocoagulation (EC) process. However, some of the problems associated with EC are systematic reactor design, selection of maximum EC operating parameters, scale-up, among others. This study investigated an EC process for the removal of lead from synthetic ex-mining pond water using a batch reactor and Fe electrodes. The effects of various operating parameters on lead removal efficiency were examined. The results obtained indicated that the maximum removal efficiency of 98.6% was achieved at an initial PH of 9, the current density of 15mA/cm2, electrode spacing of 0.3cm, treatment time of 60 minutes, Liquid Motion of Magnetic Stirring (LM-MS), and electrode arrangement = BP-S. The above experimental data were further modeled and optimized using a 2-Level 4-Factor Full Factorial design, a Response Surface Methodology (RSM). The four factors optimized were the current density, electrode spacing, electrode arrangements, and Liquid Motion Driving Mode (LM). Based on the regression model and the analysis of variance (ANOVA) at 0.01%, the results showed that an increase in current density and LM-MS increased the removal efficiency while the reverse was the case for electrode spacing. The model predicted the optimal lead removal efficiency of 99.962% with an electrode spacing of 0.38 cm alongside others. Applying the predicted parameters, the lead removal efficiency of 100% was actualized. The electrode and energy consumptions were 0.192kg/m3 and 2.56 kWh/m3 respectively. Meanwhile, the adsorption kinetic studies indicated that the overall lead adsorption system belongs to the pseudo-second-order kinetic model. The adsorption dynamics were also random, spontaneous, and endothermic. The higher temperature of the process enhances adsorption capacity. Furthermore, the adsorption isotherm fitted the Freundlish model more than the Langmuir model; describing the adsorption on a heterogeneous surface and showed good adsorption efficiency by the Fe electrodes. Adsorption of Pb2+ onto the Fe electrodes was a complex reaction, involving more than one mechanism. The overall results proved that EC is an efficient technique for lead removal from synthetic mining pond water. The findings of this study would have application in the scale-up of EC reactor and in the design of water treatment plants for feed-water sources that contain lead using the electrocoagulation method.

Keywords: ex-mining water, electrocoagulation, lead, adsorption kinetics

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Authors: Samuel Fernandes, Dylan Kato, Emin Burak Onat, Patrick Keyantuo, Raja Sengupta, Amine Bouzaghrane

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The COVID-19 pandemic has spread across the United States, forcing cities to impose stay-at-home and shelter-in-place orders. Building operations had to adjust as non-essential personnel worked from home. But as buildings prepare for personnel to return, they need to plan for safe operations amid new COVID-19 guidelines. In this paper we propose a methodology for capacity and flow modeling of personnel within buildings to safely operate under COVID-19 guidelines. We model personnel flow within buildings by network flows with queuing constraints. We study maximum flow, minimum cost, and minimax objectives. We compare our network flow approach with a simulation model through a case study and present the results. Our results showcase various scenarios of how buildings could be operated under new COVID-19 guidelines and provide a framework for building operators to plan and operate buildings in this new paradigm.

Keywords: network analysis, building simulation, COVID-19

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Authors: W. Meron Mebrahtu, R. Absi

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Velocity distribution in turbulent open-channel flows is organized in a complex manner. This is due to the large spatial and temporal variability of fluid motion resulting from the free-surface turbulent flow condition. This phenomenon is complicated further due to the complex geometry of channels and the presence of solids transported. Thus, several efforts were made to understand the phenomenon and obtain accurate mathematical models that are suitable for engineering applications. However, predictions are inaccurate because oversimplified assumptions are involved in modeling this complex phenomenon. Therefore, the aim of this work is to study velocity distribution profiles and obtain simple, more accurate, and predictive mathematical models. Particular focus will be made on the acceptable simplification of the general transport equations and an accurate representation of eddy viscosity. Wide rectangular open-channel seems suitable to begin the study; other assumptions are smooth-wall, and sediment-free flow under steady and uniform flow conditions. These assumptions will allow examining the effect of the bottom wall and the free surface only, which is a necessary step before dealing with more complex flow scenarios. For this flow condition, two ordinary differential equations are obtained for velocity profiles; from the Reynolds-averaged Navier-Stokes (RANS) equation and equilibrium consideration between turbulent kinetic energy (TKE) production and dissipation. Then different analytic models for eddy viscosity, TKE, and mixing length were assessed. Computation results for velocity profiles were compared to experimental data for different flow conditions and the well-known linear, log, and log-wake laws. Results show that the model based on the RANS equation provides more accurate velocity profiles. In the viscous sublayer and buffer layer, the method based on Prandtl’s eddy viscosity model and Van Driest mixing length give a more precise result. For the log layer and outer region, a mixing length equation derived from Von Karman’s similarity hypothesis provides the best agreement with measured data except near the free surface where an additional correction based on a damping function for eddy viscosity is used. This method allows more accurate velocity profiles with the same value of the damping coefficient that is valid under different flow conditions. This work continues with investigating narrow channels, complex geometries, and the effect of solids transported in sewers.

Keywords: accuracy, eddy viscosity, sewers, velocity profile

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Authors: Opeyemi Fadipe, Seong Lee, Guangming Chen, Steve Efe

Abstract:

In comparison to conventional combustion technologies, fluidized bed combustion has several advantages, such as superior heat transfer characteristics due to homogeneous particle mixing, lower temperature needs, nearly isothermal process conditions, and the ability to operate continuously. Computational fluid dynamics (CFD) can help anticipate the intricate combustion process and the hydrodynamics of a fluidized bed thoroughly by using CFD techniques. Bubbling Fluidized bed was model using the Eulerian-Eulerian model, including the kinetic theory of the flow. The model was validated by comparing it with other simulation of the fluidized bed. The effects of operational gas velocity, volume fraction, and feed rate were also investigated numerically. A higher gas velocity and feed rate cause an increase in fluidization of the bed.

Keywords: fluidized bed, operational gas velocity, volume fraction, computational fluid dynamics

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Authors: S. Agarwal, A. Rani

Abstract:

Catechol is a natural polyphenolic compound that widely exists in higher plants such as teas, vegetables, fruits, tobaccos, and some traditional Chinese medicines. The fly ash-based zeolites are capable of absorbing a wide range of pollutants. But the process of zeolite synthesis is time-consuming and requires technical setups by the industries. The marketed costs of zeolites are quite high restricting its use by small-scale industries for the removal of phenolic compounds. The present research proposes a simple method of alkaline treatment of FA to produce an effective adsorbent for catechol removal from wastewater. The experimental parameter such as pH, temperature, initial concentration and adsorbent dose on the removal of catechol were studied in batch reactor. For this purpose the adsorbent materials were mixed with aqueous solutions containing catechol ranging in 50 – 200 mg/L initial concentrations and then shaken continuously in a thermostatic Orbital Incubator Shaker at 30 ± 0.1 °C for 24 h. The samples were withdrawn from the shaker at predetermined time interval and separated by centrifugation (Centrifuge machine MBL-20) at 2000 rpm for 4 min. to yield a clear supernatant for analysis of the equilibrium concentrations of the solutes. The concentrations were measured with Double Beam UV/Visible spectrophotometer (model Spectrscan UV 2600/02) at the wavelength of 275 nm for catechol. In the present study, the use of low-cost adsorbent (BTFA) derived from coal fly ash (FA), has been investigated as a substitute of expensive methods for the sequestration of catechol. The FA and BTFA adsorbents were well characterized by XRF, FE-SEM with EDX, FTIR, and surface area and porosity measurement which proves the chemical constituents, functional groups and morphology of the adsorbents. The catechol adsorption capacities of synthesized BTFA and native material were determined. The adsorption was slightly increased with an increase in pH value. The monolayer adsorption capacities of FA and BTFA for catechol were 100 mg g⁻¹ and 333.33 mg g⁻¹ respectively, and maximum adsorption occurs within 60 minutes for both adsorbents used in this test. The equilibrium data are fitted by Freundlich isotherm found on the basis of error analysis (RMSE, SSE, and χ²). Adsorption was found to be spontaneous and exothermic on the basis of thermodynamic parameters (ΔG°, ΔS°, and ΔH°). Pseudo-second-order kinetic model better fitted the data for both FA and BTFA. BTFA showed large adsorptive characteristics, high separation selectivity, and excellent recyclability than FA. These findings indicate that BTFA could be employed as an effective and inexpensive adsorbent for the removal of catechol from wastewater.

Keywords: catechol, fly ash, isotherms, kinetics, thermodynamic parameters

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Authors: Souhir Ben Amor, Heni Boubaker, Lotfi Belkacem

Abstract:

This aims of this paper is to forecast the electricity spot prices. First, we focus on modeling the conditional mean of the series so we adopt a generalized fractional -factor Gegenbauer process (k-factor GARMA). Secondly, the residual from the -factor GARMA model has used as a proxy for the conditional variance; these residuals were predicted using two different approaches. In the first approach, a local linear wavelet neural network model (LLWNN) has developed to predict the conditional variance using the Back Propagation learning algorithms. In the second approach, the Gegenbauer generalized autoregressive conditional heteroscedasticity process (G-GARCH) has adopted, and the parameters of the k-factor GARMA-G-GARCH model has estimated using the wavelet methodology based on the discrete wavelet packet transform (DWPT) approach. The empirical results have shown that the k-factor GARMA-G-GARCH model outperform the hybrid k-factor GARMA-LLWNN model, and find it is more appropriate for forecasts.

Keywords: electricity price, k-factor GARMA, LLWNN, G-GARCH, forecasting

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Authors: Snezhana G. Gocheva-Ilieva, Maya P. Stoimenova

Abstract:

Ambient air pollution with fine particulate matter (PM10) is a systematic permanent problem in many countries around the world. The accumulation of a large number of measurements of both the PM10 concentrations and the accompanying atmospheric factors allow for their statistical modeling to detect dependencies and forecast future pollution. This study applies the classification and regression trees (CART) method for building and analyzing PM10 models. In the empirical study, average daily air data for the city of Pleven, Bulgaria for a period of 5 years are used. Predictors in the models are seven meteorological variables, time variables, as well as lagged PM10 variables and some lagged meteorological variables, delayed by 1 or 2 days with respect to the initial time series, respectively. The degree of influence of the predictors in the models is determined. The selected best CART models are used to forecast future PM10 concentrations for two days ahead after the last date in the modeling procedure and show very accurate results.

Keywords: cross-validation, decision tree, lagged variables, short-term forecasting

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Authors: Siamack A. Shirazi, Farzin Darihaki

Abstract:

Solid particles could be found in many multiphase flows, including transport pipelines and pipe fittings. Such particles interact with the pipe material and cause erosion which threats the integrity of the system. Therefore, predicting the erosion rate is an important factor in the design and the monitor of such systems. Mechanistic models can provide reliable predictions for many conditions while demanding only relatively low computational cost. Mechanistic models utilize a representative particle trajectory to predict the impact characteristics of the majority of the particle impacts that cause maximum erosion rate in the domain. The erosion caused by particle impacts is not only due to the direct impacts but also random impingements. In the present study, an alternative model has been introduced to describe the erosion due to random impingement of particles. The present model provides a realistic trend for erosion with changes in the particle size and particle Stokes number. The present model is examined against the experimental data and CFD simulation results and indicates better agreement with the data incomparison to the available models in the literature.

Keywords: erosion, mechanistic modeling, particles, multiphase flow, gas-liquid-solid

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Authors: Sandra Cecilia Bautista-Rodríguez, Vladimir Melgarejo

Abstract:

Climate change, loss of ecosystems, increasing poverty, increasing marginalization of rural communities and declining food security are global issues that require urgent attention. In this regard, a great deal of research has focused on how agroecosystems respond to these challenges as they provide ecosystem services (ES) that lead to higher levels of resilience, adaptation, productivity and self-sufficiency. Hence, the valuing of ecosystem services plays an important role in the decision-making process for the design and management of agroecosystems. This paper aims to define the link between ecosystem service valuation methods and ES value dimensions in agroecosystems from ecological economics and agroecology. The method used to identify valuation methodologies was a literature review in the fields of Agroecology and Ecological Economics, based on a strategy of information search and classification. The conceptual framework of the work is based on the multidimensionality of value, considering the social, ecological, political, technological and economic dimensions. Likewise, the valuation process requires consideration of the ecosystem function associated with ES, such as regulation, habitat, production and information functions. In this way, valuation methods for ES in agroecosystems can integrate more than one value dimension and at least one ecosystem function. The results allow correlating the ecosystem functions with the ecosystem services valued, and the specific tools or models used, the dimensions and valuation methods. The main methodologies identified are multi-criteria valuation (1), deliberative - consultative valuation (2), valuation based on system dynamics modeling (3), valuation through energy or biophysical balances (4), valuation through fuzzy logic modeling (5), valuation based on agent-based modeling (6). Amongst the main conclusions, it is highlighted that the system dynamics modeling approach has a high potential for development in valuation processes, due to its ability to integrate other methods, especially multi-criteria valuation and energy and biophysical balances, to describe through causal cycles the interrelationships between ecosystem services, the dimensions of value in agroecosystems, thus showing the relationships between the value of ecosystem services and the welfare of communities. As for methodological challenges, it is relevant to achieve the integration of tools and models provided by different methods, to incorporate the characteristics of a complex system such as the agroecosystem, which allows reducing the limitations in the processes of valuation of ES.

Keywords: ecological economics, agroecosystems, ecosystem services, valuation of ecosystem services

Procedia PDF Downloads 123