Search results for: underhood modeling

Authors: Momoh Omeiza Sheidu

Abstract:

Finite element method as a method of providing solutions to problems in computational bio mechanics provides a framework for modeling the function of tissues that integrates structurally from cell to organ system and functionally across the physiological processes that affect tissue mechanics or are regulated by mechanical forces. In this paper, we present an integrative finite element strategy for solution to problems in tissue bio mechanics as a case study.

Keywords: finite element, biomechanics, modeling, computational biomechanics

Procedia PDF Downloads 503

Authors: Edgar Willy Rimarachin Valderrama, Eduardo Rojas Parra

Abstract:

Thermal energy from solar radiation is widely present in power plants, food drying, chemical reactors, heating and cooling systems, water treatment processes, hydrogen production, and others. In the case of power plants, one of the technologies available to transform solar energy into thermal energy is by solar rotary kilns where a bed of granular matter is heated through concentrated radiation obtained from an arrangement of heliostats. Numerical modeling is a useful approach to study the behavior of granular beds in solar rotary kilns. This technique, once validated with small-scale experiments, can be used to simulate large-scale processes for industrial applications. This study gives a comprehensive classification of numerical models used to simulate the movement and heat transfer for beds of granular media within solar rotary furnaces. In general, there exist three categories of models: 1) continuum, 2) discrete, and 3) multiphysics modeling. The continuum modeling considers zero-dimensional, one-dimensional and fluid-like models. On the other hand, the discrete element models compute the movement of each particle of the bed individually. In this kind of modeling, the heat transfer acts during contacts, which can occur by solid-solid and solid-gas-solid conduction. Finally, the multiphysics approach considers discrete elements to simulate grains and a continuous modeling to simulate the fluid around particles. This classification allows to compare the advantages and disadvantages for each kind of model in terms of accuracy, computational cost and implementation.

Keywords: granular beds, numerical models, rotary kilns, solar thermal applications

Procedia PDF Downloads 31

Authors: Sanja O. Podunavac-Kuzmanović, Lidija R. Jevrić, Strahinja Z. Kovačević

Abstract:

Benzimidazoles are a group of compounds with significant antibacterial, antifungal and anticancer activity. The studied compounds consist of the main benzimidazole structure with different combinations of substituens. This study is based on the two-dimensional and three-dimensional molecular modeling and calculation of molecular descriptors (physicochemical and lipophilicity descriptors) of structurally diverse benzimidazoles. Molecular modeling was carried out by using ChemBio3D Ultra version 14.0 software. The obtained 3D models were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. The obtained set of molecular descriptors was used in principal component analysis (PCA) of possible similarities and dissimilarities among the studied derivatives. After the molecular modeling, the quantitative structure-property relationship (QSPR) analysis was applied in order to get the mathematical models which can be used in prediction of pKb values of structurally similar benzimidazoles. The obtained models are based on statistically valid multiple linear regression (MLR) equations. The calculated cross-validation parameters indicate the high prediction ability of the established QSPR models. This study is financially supported by COST action CM1306 and the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina.

Keywords: benzimidazoles, chemometrics, molecular modeling, molecular descriptors, QSPR

Procedia PDF Downloads 287

Authors: N. Gigauri, A. Surmava, L. Intskirveli, V. Kukhalashvili, S. Mdivani

Abstract:

The subject of our study is atmospheric air pollution with numerical modeling. In the presented article, as the object of research, there is chosen city Tbilisi, the capital of Georgia, with a population of one and a half million and a difficult terrain. The main source of pollution in Tbilisi is currently vehicles and construction dust. The concentrations of dust and PM (Particulate Matter) were determined in the air of Tbilisi and in its vicinity. There are estimated their monthly maximum, minimum, and average concentrations. Processes of dust propagation in the atmosphere of the city and its surrounding territory are modelled using a 3D regional model of atmospheric processes and an admixture transfer-diffusion equation. There were taken figures of distribution of the polluted cloud and dust concentrations in different areas of the city at different heights and at different time intervals with the background stationary westward and eastward wind. It is accepted that the difficult terrain and mountain-bar circulation affect the deformation of the cloud and its spread, there are determined time periods when the dust concentration in the city is greater than MAC (Maximum Allowable Concentration, MAC=0.5 mg/m³).

Keywords: air pollution, dust, numerical modeling, PM-particles

Procedia PDF Downloads 140

Authors: M. Azarbarmas, J. M. Cabrera, J. Calvo, M. Aghaie-Khafri

Abstract:

The modeling of hot deformation behavior for unseen conditions is important in metal-forming. In this study, the hot deformation of IN718 has been characterized in the temperature range 950-1100 and strain rate range 0.001-0.1 s-1 using hot compression tests. All stress-strain curves showed the occurrence of dynamic recrystallization. These curves were implemented quantitatively in mathematics, and then constitutive equation indicating the relationship between the flow stress and hot deformation parameters was obtained successfully.

Keywords: compression test, constitutive equation, dynamic recrystallization, hot working

Procedia PDF Downloads 425

Authors: Maryam Kiani, Abdul Basit Kiani

Abstract:

At larger scales, the performance of cementitious materials is impacted by processes occurring at the nanometer scale. These materials boast intricate hierarchical structures with random features that span from the nanometer to millimeter scale. It is fascinating to observe how the nanoscale processes influence the overall behavior and characteristics of these materials. By delving into and manipulating these processes, scientists and engineers can unlock the potential to create more durable and sustainable infrastructure and construction materials. It's like unraveling a hidden tapestry of secrets that hold the key to building stronger and more resilient structures. The present work employs simulations as the computational modeling methodology to predict mechanical properties for carbon/silica based cementitious materials at the molecular/nano scale level. Studies focused on understanding the effect of higher mechanical properties of cementitious materials with carbon silica nanoparticles via Material Studio materials modeling.

Keywords: nanomaterials, SiO₂, carbon black, mechanical properties

Procedia PDF Downloads 140

Authors: Alok Shiomurti Tripathi, Ajay Kumar Timiri, Papiya Mitra Mazumder, Anil Chandewar

Abstract:

The present study evaluates the possible drug interaction between glimepiride (GLIM) and sildenafil citrate (SIL) in streptozotocin (STZ) induced in diabetic nephropathic (DN) animals and also postulates the possible mechanism of interaction by molecular modeling studies. Diabetic nephropathy was induced by single dose of STZ (60 mg/kg, ip) and confirms it by assessing the blood and urine biochemical parameters on 28th day of its induction. Selected DN animals were used for the drug interaction between GLIM (0.5mg/kg, p.o.) and SIL (2.5 mg/kg, p.o.) after 29th and 70th day of protocol. Drug interaction were assessed by evaluating the plasma drug concentration using HPLC-UV and also determine the change in the biochemical parameter in blood and urine. Mechanism of the interaction was postulated by molecular modeling study using Maestro module of Schrodinger software. DN was confirmed as there was significant alteration in the blood and urine biochemical parameter in STZ treated groups. The concentration of SIL increased significantly (p<0.001) in rat plasma when co administered with GLIM after 70th day of protocol. Molecular modelling study revealed few important interactions with rat serum albumin and CYP2C9.GLIM has strong hydrophobic interaction with binding site residues of rat serum albumin compared to SIL. Whereas, for CYP2C9, GLIM has strong hydrogen bond with polar contacts and hydrophobic interactions than SIL. Present study concludes that bioavailability of SIL increases when co-administered chronically with GLIM in the management of DN animals and mechanism has been supported by molecular modeling studies.

Keywords: diabetic nephropathy, glimepiride, sildenafil citrate, pharmacokinetics, homology modeling, schrodinger

Procedia PDF Downloads 378

Authors: Abul Bashar

Abstract:

The recent surge in the adoption of cloud computing systems by various organizations has brought forth the challenge of evaluating their performance. One of the major issues faced by the cloud service providers and customers is to assess the ability of cloud computing systems to provide the desired services in accordance to the QoS and SLA constraints. To this end, an opportunity exists to develop means to ensure that the desired performance levels of such systems are met under simulated environments. This will eventually minimize the service disruptions and performance degradation issues during the commissioning and operational phase of cloud computing infrastructure. However, it is observed that several simulators and modelers are available for simulating the cloud computing systems. Therefore, this paper presents a critical evaluation of the state-of-the-art modeling and simulation frameworks applicable to cloud computing systems. It compares the prominent simulation frameworks in terms of the API features, programming flexibility, operating system requirements, supported services, licensing needs and popularity. Subsequently, it provides recommendations regarding the choice of the most appropriate framework for researchers, administrators and managers of cloud computing systems.

Keywords: cloud computing, modeling framework, performance evaluation, simulation tools

Procedia PDF Downloads 501

Authors: Gia Surguladze, Nino Topuria, Lily Petriashvili, Giorgi Surguladze

Abstract:

Modeling of building processes of a multimodal freight transportation support information system is discussed based on modern CASE technologies. Functional efficiencies of ports in the eastern part of the Black Sea are analyzed taking into account their ecological, seasonal, resource usage parameters. By resources, we mean capacities of berths, cranes, automotive transport, as well as work crews and neighbouring airports. For the purpose of designing database of computer support system for Managerial (Logistics) function, using Object-Role Modeling (ORM) tool (NORMA – Natural ORM Architecture) is proposed, after which Entity Relationship Model (ERM) is generated in automated process. The software is developed based on Process-Oriented and Service-Oriented architecture, in Visual Studio.NET environment.

Keywords: seaport resources, business-processes, multimodal transportation, CASE technology, object-role model, entity relationship model, SOA

Procedia PDF Downloads 430

Authors: W. Sriwattanapongse, S. Prasitwattanaseree, S. Wongtrangan

Abstract:

The transportation accidents mortality is a major problem that leads to loss of human lives, and economic. The objective was to identify patterns of statistical modeling for estimating mortality rates due to transportation accidents in Thailand by using data from 2000 to 2009. The data was taken from the death certificate, vital registration database. The number of deaths and mortality rates were computed classifying by gender, age, year and region. There were 114,790 cases of transportation accidents deaths. The highest average age-specific transport accident mortality rate is 3.11 per 100,000 per year in males, Southern region and the lowest average age-specific transport accident mortality rate is 1.79 per 100,000 per year in females, North-East region. Linear, poisson and negative binomial models were chosen for fitting statistical model. Among the models fitted, the best was chosen based on the analysis of deviance and AIC. The negative binomial model was clearly appropriate fitted.

Keywords: transportation accidents, mortality, modeling, analysis of deviance

Procedia PDF Downloads 244

Authors: S. Zolghadri, M. Mousavi-Daramoroudi, H. Yousefnia, F. Abbasi-Davani

Abstract:

In this study, the absorbed dose of human organs after injection of ¹⁷⁷Lu-DOTATOC was studied based on the biodistribution of the complex in adenocarcinoma breast cancer bearing mice. For this purpose, the biodistribution of the radiolabelled complex was studied and compartmental modeling was applied to calculate the absorbed dose with high precision. As expected, ¹⁷⁷Lu-DOTATOC illustrated a notable specific uptake in tumor and pancreas, organs with high level of somatostatin receptor on their surface and the effectiveness of the radio-conjugate for targeting of the breast adenocarcinoma tumors was indicated. The elicited results of modeling were the exponential equations, and those are utilized for obtaining the cumulated activity data by taking their integral. The results also exemplified that non-target absorbed-doses such as the liver, spleen and pancreas were approximately 0.008, 0.004, and 0.039, respectively. While these values were so much lower than target (tumor) absorbed-dose, it seems due to this low toxicity, this complex is a good agent for therapy.

Keywords: ¹⁷⁷Lu, breast cancer, compartmental modeling, dosimetry

Procedia PDF Downloads 151

Authors: Phumelele Kubheka, Pius Owolawi, Gbolahan Aiyetoro

Abstract:

Twitter is one of the most popular social media platforms where users can share their opinions on different subjects. As of 2010, The Twitter platform generates more than 12 Terabytes of data daily, ~ 4.3 petabytes in a single year. For this reason, Twitter is a great source for big mining data. Many industries such as Telecommunication companies can leverage the availability of Twitter data to better understand their markets and make an appropriate business decision. This study performs topic modeling on Twitter data using Latent Dirichlet Allocation (LDA). The obtained results are benchmarked with another topic modeling technique, Latent Semantic Indexing (LSI). The study aims to retrieve topics on a Twitter dataset containing user tweets on South African Telcos. Results from this study show that LSI is much faster than LDA. However, LDA yields better results with higher topic coherence by 8% for the best-performing model represented in Table 1. A higher topic coherence score indicates better performance of the model.

Keywords: big data, latent Dirichlet allocation, latent semantic indexing, telco, topic modeling, twitter

Procedia PDF Downloads 150

Authors: Catherine Felce, Lior Pachter

Abstract:

Current methods for building phylogenetic trees from gene expression data consider mean expression levels. With single-cell technologies, we can leverage more information about cell dynamics by considering the entire distribution of gene expression across cells. Using biophysical modeling, we propose a method for constructing phylogenetic trees from scRNA-seq data, building on Felsenstein's method of continuous characters. This method can highlight genes whose level of expression may be unchanged between species, but whose rates of transcription/decay may have evolved over time.

Keywords: phylogenetics, single-cell, biophysical modeling, transcription

Procedia PDF Downloads 48

Authors: Mehrnaz Farzingohar, Mehran Yasemi, Ahmad Savari

Abstract:

The oil products are imported and exported via Rajaee’s tanker terminal. Within loading and discharging in several cases the oil is released into the berths and made oil spills. The spills are distributed within short time and seriously affected Rajaee port’s environment and even extended areas. The trajectory and fate of oil spills investigated by modeling and parted by three risk levels base on the modeling results. First GNOME (General NOAA Operational Modeling Environment) applied to trajectory the liquid oil. Second, ALOHA (Areal Location Of Hazardous Atmosphere) air quality model, is integrated to predict the oil evaporation path within the air. Base on the identified zones the high risk areas are signed by colored dots which their densities calculated and clarified on a map which displayed the harm places. Wind and water circulation moved the pollution to the East of Rajaee Port that accumulated about 12 km of coastline. Approximately 20 km of north east of Qeshm Island shore is covered by the three levels of risky areas. Since the main wind direction is SSW the pollution pushed to the east and the highest risk zones formed on the crests edges hence the low risk appeared on the concavities. This assessment help the management and emergency systems to monitor the exposure places base on the priority factors and find the best approaches to protect the environment.

Keywords: oil spill, modeling, pollution, risk assessment

Procedia PDF Downloads 387

Authors: A. E. Kobryn

Abstract:

We present both descriptive and predictive modeling of structural properties of blends of PCBM or organic-inorganic hybrid perovskites of the type CH3NH3PbX3 (X=Cl, Br, I) with P3HT, P3BT or squaraine SQ2 dye sensitizer, including adsorption on TiO2 clusters having rutile (110) surface. In our study, we use a methodology that allows computing the microscopic structure of blends on the nanometer scale and getting insight on miscibility of its components at various thermodynamic conditions. The methodology is based on the integral equation theory of molecular liquids in the reference interaction site representation/model (RISM) and uses the universal force field. Input parameters for RISM, such as optimized molecular geometries and charge distribution of interaction sites, are derived with the use of the density functional theory methods. To compare the diffusivity of the PCBM in binary blends with P3HT and P3BT, respectively, the study is complemented with MD simulation. A very good agreement with experiment and the reports of alternative modeling or simulation is observed for PCBM in P3HT system. The performance of P3BT with perovskites, however, seems as expected. The calculated nanoscale morphologies of blends of P3HT, P3BT or SQ2 with perovskites, including adsorption on TiO2, are all new and serve as an instrument in rational design of organic/hybrid photovoltaics. They are used in collaboration with experts who actually make prototypes or devices for practical applications.

Keywords: multiscale theory and modeling, nanoscale morphology, organic-inorganic halide perovskites, three dimensional distribution

Procedia PDF Downloads 155

Authors: Rim Bouhaouel, Naoufel Kraïem, Zuhoor Al Khanjari

Abstract:

Unified Modeling Language (UML) is considered as one of the widespread modeling language standardized by the Object Management Group (OMG). Therefore, the model driving engineering (MDE) community attempts to provide reuse of UML diagrams, and do not construct it from scratch. The UML model appears according to a specific software development process. The existing method generation models focused on the different techniques of transformation without considering the development process. Our work aims to construct an UML component from fragments of UML diagram basing on an agile method. We define UML fragment as a portion of a UML diagram, which express a business target. To guide the generation of fragments of UML models using an agile process, we need a flexible approach, which adapts to the agile changes and covers all its activities. We use the software product line (SPL) to derive a fragment of process agile method. This paper explains our approach, named RECUP, to generate UML fragments following an agile process, and overviews the different aspects. In this paper, we present the approach and we define the different phases and artifacts.

Keywords: UML, component, fragment, agile, SPL

Procedia PDF Downloads 397

Authors: Arpan Dwivedi, Yogesh Pahariya

Abstract:

In this paper, optimal design of hybrid standalone power supply system (SAPS) is done for off grid applications in remote areas where transmission of power is difficult. The hybrid SAPS system uses two primary energy sources, wind and solar, and in addition to these diesel generator is also connected to meet the load demand in case of failure of wind and solar system. This paper presents mathematical modeling of 1.4 MW hybrid SAPS system for rural electrification. This paper firstly focuses on mathematical modeling of PV module connected in a string, secondly focuses on modeling of permanent magnet wind turbine generator (PMWTG). The hybrid controller is also designed for selection of power from the source available as per the load demand. The power output of hybrid SAPS system is analyzed for meeting load demands at urban as well as for rural areas.

Keywords: SAPS, DG, PMWTG, rural area, off-grid, PV module

Procedia PDF Downloads 248

Authors: Maha Bakkari, Fatiha Lemmeni, Rachid Tadili

Abstract:

In this work, we present some characteristics of the furnace studied, its operating principle and the experimental measurements of the evolutions of the temperatures inside and outside the walls of the This work deals with the problem of energy consumption of pottery kilns whose energy consumption is relatively too high. In this work, we determined the sources of energy loss by studying the heat transfer of a pottery furnace, we proposed a recovery system to reduce energy consumption, and then we developed a numerical model modeling the transfers through the walls of the furnace and to optimize the insulation (reduce heat losses) by testing multiple insulators. The recovery and reuse of energy recovered by the recovery system will present a significant gain in energy consumption of the oven and cooking time. This research is one of the solutions that helps reduce the greenhouse effect of the planet earth, a problem that worries the world.

Keywords: recovery lost energy, energy efficiency, modeling, heat transfer

Procedia PDF Downloads 86

Authors: Anna Avramenko, Heikki Haario

Abstract:

This paper reports the development and application of a 2D depth-averaged model. The main goal of this contribution is to apply the depth averaged equations to a wind park model in which the treatment of the geometry, introduced on the mathematical model by the mass and momentum source terms. The depth-averaged model will be used in future to find the optimal position of wind turbines in the wind park. K-E and 2D LES turbulence models were consider in this article. 2D CFD simulations for one hill was done to check the depth-averaged model in practise.

Keywords: depth-averaged equations, numerical modeling, CFD, wind park model

Procedia PDF Downloads 603

Authors: Salima Djehaichia, Rachid Lassoued

Abstract:

Reinforced concrete structural walls are very efficient elements for protecting buildings against excessive early damage and against collapse under earthquake actions. It is therefore of interest to develop a numerical model which simulates the typical behavior of these units, this paper presents and describes different modeling techniques that have been used by researchers and their advantages and limitations mentioned. The earthquake of Boumerdes in 2003 has demonstrated the fragility of structures and total neglect of sismique design rules in the realization of old buildings. Significant damage and destruction of buildings caused by this earthquake are not due to the choice of type of material, but the design and the study does not congruent with seismic code requirements and bad quality of materials. For idealizing the failure of rules, a parametric study focuses on: low rate of reinforcements, type of reinforcement, resistance moderate of concrete. As an application the modeling strategy based on finite elements combined with a discretization of wall more solicited by successive thin layers. The estimated performance level achieved during a seismic action is obtained from capacity curves under incrementally increasing loads. Using a pushover analysis, a characteristic non linear force-displacement relationship can be determined. The results of numeric model are confronted with those of Algerian Para seismic Rules (RPA) in force have allowed the determination of profits in terms of displacement, shearing action, ductility.

Keywords: modeling, old building, pushover analysis, structural walls

Procedia PDF Downloads 246

Authors: Juan Portoviejo Brito, Daniel Icaza Alvarez, Christian Castro Samaniego

Abstract:

In this article, we present the modeling, simulations, and energy conversion analysis of the solar-wind system for the Quingeo Heritage Center in Ecuador. A numerical model was constructed based on the 19 equations, it was coded in MATLAB R2017a, and the results were compared with the experimental data of the site. The model is built with the purpose of using it as a computer development for the optimization of resources and designs of hybrid systems in the Parish of Quingeo and its surroundings. The model obtained a fairly similar pattern compared to the data and curves obtained in the field experimentally and detailed in manuscript. It is important to indicate that this analysis has been carried out so that in the near future one or two of these power generation systems can be exploited in a massive way according to the budget assigned by the Parish GAD of Quingeo or other national or international organizations with the purpose of preserving this unique colonial helmet in Ecuador.

Keywords: hybrid system, wind turbine, modeling, simulation, Smart Grid, Quingeo Azuay Ecuador

Procedia PDF Downloads 269

Authors: Mohammad Arabi

Abstract:

Business Process Reengineering (BPR) is a systematic approach to fundamentally redesign organizational processes to achieve significant improvements in organizational performance. At Fars Regional Electric Company, implementing BPR is deemed essential to increase productivity, reduce costs, and improve service quality. This article examines how BPR can help enhance the performance of Fars Regional Electric Company. The objective of this research is to evaluate and analyze the advancements in process modeling and reengineering at Fars Regional Electric Company and to provide solutions for improving the productivity and efficiency of organizational processes. This study aims to demonstrate how BPR can be used to improve organizational processes and enhance the overall performance of the company. This research employs both qualitative and quantitative research methods and includes interviews with senior managers and experts at Fars Regional Electric Company. The analytical tools include process modeling software such as Bizagi and ARIS, and statistical analysis software such as SPSS and Minitab. Data analysis was conducted using advanced statistical methods. The results indicate that the use of BPR techniques can lead to a significant reduction in process execution time and overall improvement in quality. Implementing BPR at Fars Regional Electric Company has led to increased productivity, reduced costs, and improved overall performance of the company. This study shows that with proper implementation of BPR and the use of modeling tools, the company can achieve significant improvements in its processes. Recommendations: (1) Continuous Training for Staff: Invest in continuous training of staff to enhance their skills and knowledge in BPR. (2) Use of Advanced Technologies: Utilize modeling and analysis software to improve processes. (3) Implementation of Effective Management Systems: Employ knowledge and information management systems to enhance organizational performance. (4) Continuous Monitoring and Review of Processes: Regularly review and revise processes to ensure ongoing improvements. This article highlights the importance of improving organizational processes at Fars Regional Electric Company and recommends that managers and decision-makers at the company seriously consider reengineering processes and utilizing modeling technologies to achieve developmental goals and continuous improvement.

Keywords: business process reengineering, electric company, Fars province, process modeling advancements

Procedia PDF Downloads 48

Authors: Hanbey Hazar, Hakan Gul

Abstract:

In this study; piston, exhaust, and suction valves of a diesel engine were coated in 300 mm thickness with Tungsten Carbide (WC) by using the HVOF coating method. Mathematical modeling of a coated and uncoated (standardized) engine was performed by using ANN (Artificial Neural Networks). The purpose was to decrease the number of repetitions of tests and reduce the test cost through mathematical modeling of engines by using ANN. The results obtained from the tests were entered in ANN and therefore engines' values at all speeds were estimated. Results obtained from the tests were compared with those obtained from ANN and they were observed to be compatible. It was also observed that, with thermal barrier coating, hydrocarbon (HC), carbon monoxide (CO), and smoke density values of the diesel engine decreased; but nitrogen oxides (NOx) increased. Furthermore, it was determined that results obtained through mathematical modeling by means of ANN reduced the number of test repetitions. Therefore, it was understood that time, fuel and labor could be saved in this way.

Keywords: Artificial Neural Network, Diesel Engine, Mathematical Modelling, Thermal Barrier Coating

Procedia PDF Downloads 528

Authors: Strahinja Kovačević, Sanja Podunavac-Kuzmanović, Lidija Jevrić, Cristina Prandi, Piermichele Kobauri

Abstract:

The present study is based on molecular modeling of a series of twelve 5-(4-substituent-phenoxy)-3-methylfuran-2(5H)-one derivatives which have potential of strigolactones mimics toward Striga hermonthica. The first step of the analysis included the calculation of molecular descriptors which numerically describe the structures of the analyzed compounds. The descriptors ALOGP (lipophilicity), AClogS (water solubility) and BBB (blood-brain barrier penetration), served as the input variables in multiple linear regression (MLR) modeling of germination activity toward S. hermonthica. Two MLR models were obtained. The first MLR model contains ALOGP and AClogS descriptors, while the second one is based on these two descriptors plus BBB descriptor. Despite the braking Topliss-Costello rule in the second MLR model, it has much better statistical and cross-validation characteristics than the first one. The ALOGP and AClogS descriptors are often very suitable predictors of the biological activity of many compounds. They are very important descriptors of the biological behavior and availability of a compound in any biological system (i.e. the ability to pass through the cell membranes). BBB descriptor defines the ability of a molecule to pass through the blood-brain barrier. Besides the lipophilicity of a compound, this descriptor carries the information of the molecular bulkiness (its value strongly depends on molecular bulkiness). According to the obtained results of MLR modeling, these three descriptors are considered as very good predictors of germination activity of the analyzed compounds toward S. hermonthica seeds. This article is based upon work from COST Action (FA1206), supported by COST (European Cooperation in Science and Technology).

Keywords: chemometrics, germination activity, molecular modeling, QSAR analysis, strigolactones

Procedia PDF Downloads 286

Authors: Farzingohar Mehrnaz, Yasemi Mehran, Esmaili Zinat, Baharlouian Maedeh

Abstract:

Aboozar (Ardeshir) and Bahregansar are the two important Iranian oilfields in Persian Gulf waters. The operation activities cause to create spills which impacted on the marine environment. Assumed spills are molded by ADIOS II (Automated Data Inquiry for Oil Spills) which is NOAA’s weathering oil software. Various atmospheric and marine data with different oil types are used for the modeling. Numerous scenarios for 100 bbls with mean daily air temperature and wind speed are input for 5 days. To find the model sensitivity in each setting, one parameter is changed, but the others stayed constant. In both fields, the evaporated and dispersed output values increased hence the remaining rate is reduced. The results clarified that wind speed first, second air temperature and finally oil type respectively were the most effective factors on the oil weathering process. The obtained results can help the emergency systems to predict the floating (dispersed and remained) volume spill in order to find the suitable cleanup tools and methods.

Keywords: ADIOS, modeling, oil spill, sensitivity analysis

Procedia PDF Downloads 299

Authors: Sushma Ghogale

Abstract:

With a surge in user-generated content or feedback or reviews on the internet, it has become possible and important to know consumers' opinions about products and services. This data is important for both potential customers and businesses providing the services. Data from social media is attracting significant attention and has become the most prominent channel of expressing an unregulated opinion. Prospective customers look for reviews from experienced customers before deciding to buy a product or service. Several websites provide a platform for users to post their feedback for the provider and potential customers. However, the biggest challenge in analyzing such data is in extracting latent features and providing term-level analysis of the data. This paper proposes an approach to use topic modeling to classify the reviews into topics and conduct sentiment analysis to mine the opinions. This approach can analyse and classify latent topics mentioned by reviewers on business sites or review sites, or social media using topic modeling to identify the importance of each topic. It is followed by sentiment analysis to assess the satisfaction level of each topic. This approach provides a classification of hotel reviews using multiple machine learning techniques and comparing different classifiers to mine the opinions of user reviews through sentiment analysis. This experiment concludes that Multinomial Naïve Bayes classifier produces higher accuracy than other classifiers.

Keywords: latent Dirichlet allocation, topic modeling, text classification, sentiment analysis

Procedia PDF Downloads 97

Authors: Adil A. Mohammed, Seif-Eddeen K. Fateen, Tamer S. Ahmed, Tarek M. Moustafa

Abstract:

Falling film were widely used for gas-liquid absorption and reaction process. Modeling of falling film for oligomerization of ethylene reaction to linear alpha olefins is developed. Although there are many researchers discuss modeling of falling film in many processes, there has been no publish study the simulation of falling film for the oligomerization of ethylene reaction to produce linear alpha olefins. The Comsol multiphysics software was used to simulate the mass transfer with chemical reaction in falling film absorption process. The effect of concentration profile absorption of the products through falling thickness is discussed. The effect of catalyst concentration, catalyst/co-catalyst ratio, and temperature is also studied. For the effect of the temperature, as it increase the concentration of C4 increase. For catalyst concentration and catalyst/co-catalyst ratio as they increases the concentration of C4 increases, till it reached almost constant value.

Keywords: falling film, oligomerization, comsol mutiphysics, linear alpha olefins

Procedia PDF Downloads 469

Authors: Biruk Wolde, Atalay Ayele, Yonatan Garkabo, Trufat Hailmariam, Zemenu Germewu

Abstract:

A comprehensive three-dimensional (3D) geological modeling and engineering geological characterization of shallow subsurface soils and rocks are essential for a wide range of geotechnical and seismological engineering applications, particularly in urban environments. The spatial distribution and geological variation of the shallow subsurface of Addis Ababa city have not been studied so far in terms of geological and geotechnical modeling. This study aims at the construction of a 3D geological model, as well as provides awareness into the engineering geological characteristics of shallow subsurface soil and rock of Addis Ababa city. The 3D geological model was constructed by using more than 1500 geotechnical boreholes, well-drilling data, and geological maps. A well-known geostatistical kriging 3D interpolation algorithm was applied to visualize the spatial distribution and geological variation of the shallow subsurface. Due to the complex nature of geological formations, vertical and lateral variation of the geological profiles horizons-solid command has been selected via the Groundwater Modelling System (GMS) graphical user interface software. For the engineering geological characterization of typical soils and rocks, both index and engineering laboratory tests have been used. The geotechnical properties of soil and rocks vary from place to place due to the uneven nature of subsurface formations observed in the study areas. The constructed model ascertains the thickness, extent, and 3D distribution of the important geological units of the city. This study is the first comprehensive research work on 3D geological modeling and subsurface characterization of soils and rocks in Addis Ababa city, and the outcomes will be important for further future research on subsurface conditions in the city. Furthermore, these findings provide a reference for developing a geo-database for the city.

Keywords: 3d geological modeling, addis ababa, engineering geology, geostatistics, horizons-solid

Procedia PDF Downloads 97

Authors: Erin Lynne Plettenberg, Jeremy Vickery

Abstract:

In an access-control situation, the role of a user determines whether a data request is appropriate. This paper combines vetted web mining and logic modeling to build a lightweight system for determining the role of a health care provider based only on their prior authorized requests. The model identifies provider roles with 100% recall from very little data. This shows the value of vetted web mining in AI systems, and suggests the impact of the ICD classification on medical practice.

Keywords: electronic medical records, information extraction, logic modeling, ontology, vetted web mining

Procedia PDF Downloads 172

Authors: Md Yeasin, Ranjit Kumar Paul

Abstract:

In recent years, recommendation systems have become indispensable tools for agricultural system. The accurate and timely recommendations can significantly impact crop yield and overall productivity. Causal inference modeling aims to establish cause-and-effect relationships by identifying the impact of variables or factors on outcomes, enabling more accurate and reliable recommendations. New advancements in causal inference models have been found in the literature. With the advent of the modern era, deep learning and machine learning models have emerged as efficient tools for modeling. This study proposed an innovative approach to enhance recommendation systems-based machine learning based casual inference model. By considering the causal effect and opportunity cost of covariates, the proposed system can provide more reliable and actionable recommendations for cereal farmers. To validate the effectiveness of the proposed approach, experiments are conducted using cereal cultivation data of eastern India. Comparative evaluations are performed against existing correlation-based recommendation systems, demonstrating the superiority of the advanced causal inference modeling approach in terms of recommendation accuracy and impact on crop yield. Overall, it empowers farmers with personalized recommendations tailored to their specific circumstances, leading to optimized decision-making and increased crop productivity.

Keywords: agriculture, casual inference, machine learning, recommendation system

Procedia PDF Downloads 79