Search results for: dynamic energy absorption
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 12976

Search results for: dynamic energy absorption

12766 In the Study of Co₂ Capacity Performance of Different Frothing Agents through Process Simulation

Authors: Muhammad Idrees, Masroor Abro, Sikandar Almani

Abstract:

Presently, the increasing CO₂ concentration in the atmosphere has been taken as one of the major challenges faced by the modern world. The average CO₂ in the atmosphere reached the highest value of 414.72 ppm in 2021, as reported in a conference of the parties (COP26). This study focuses on (i) the comparative study of MEA, NaOH, Acetic acid, and Na₂CO₃ in terms of their CO₂ capture performance, (ii) the significance of adding various frothing agents achieving improved absorption capacity of Na₂CO₃ and (iii) the overall economic evaluation of process with the help of Aspen Plus. The results obtained suggest that the addition of frothing agents significantly increased the absorption rate of dilute sodium carbonate such that from 45% to 99.9%. The effect of temperature, pressure and flow rate of liquid and flue gas streams on CO₂ absorption capacity was also investigated. It was found that the absorption capacity of Na₂CO₃ decreased with increasing temperature of the liquid stream and decreasing flow rate of the liquid stream and pressure of the gas stream.

Keywords: CO₂, absorbents, frothing agents, process simulation

Procedia PDF Downloads 77
12765 The Effect of Dynamic Eccentricity on the Stator Current Spectrum of 550 kW Induction Motor

Authors: Saleh Elawgali

Abstract:

In order to present the effect of the dynamic eccentricity on the stator currents of squirrel cage induction machines, the current spectrums of a 550 kW induction motor was calculated for the cases of full symmetry and dynamic eccentricity. The calculations presented in this paper are based on the Poly-Harmonic Model accounting for static and dynamic eccentricity, stator and rotor slotting, parallel branches as well as cage asymmetry. The calculations were followed by Fourier analysis of the stator currents in steady state operation. The paper presents the stator current spectrums for full symmetry and dynamic eccentricity cases, and demonstrates the harmonics present in each case. The effect of dynamic eccentricity is demonstrating via comparing the current spectrums related to dynamic eccentricity cases with the full symmetry one.

Keywords: current spectrum, dynamic eccentricity, harmonics, Induction machine, slot harmonic zone.

Procedia PDF Downloads 400
12764 Investigation of Single Particle Breakage inside an Impact Mill

Authors: E. Ghasemi Ardi, K. J. Dong, A. B. Yu, R. Y. Yang

Abstract:

In current work, a numerical model based on the discrete element method (DEM) was developed which provided information about particle dynamic and impact event condition inside a laboratory scale impact mill (Fritsch). It showed that each particle mostly experiences three impacts inside the mill. While the first impact frequently happens at front surface of the rotor’s rib, the frequent location of the second impact is side surfaces of the rotor’s rib. It was also showed that while the first impact happens at small impact angle mostly varying around 35º, the second impact happens at around 70º which is close to normal impact condition. Also analyzing impact energy revealed that varying mill speed from 6000 to 14000 rpm, the ratio of first impact’s average impact energy and minimum required energy to break particle (Wₘᵢₙ) increased from 0.30 to 0.85. Moreover, it was seen that second impact poses intense impact energy on particle which can be considered as the main cause of particle splitting. Finally, obtained information from DEM simulation along with obtained data from conducted experiments was implemented in semi-empirical equations in order to find selection and breakage functions. Then, using a back-calculation approach, those parameters were used to predict the PSDs of ground particles under different impact energies. Results were compared with experiment results and showed reasonable accuracy and prediction ability.

Keywords: single particle breakage, particle dynamic, population balance model, particle size distribution, discrete element method

Procedia PDF Downloads 291
12763 A Study of the Trade-off Energy Consumption-Performance-Schedulability for DVFS Multicore Systems

Authors: Jalil Boudjadar

Abstract:

Dynamic Voltage and Frequency Scaling (DVFS) multicore platforms are promising execution platforms that enable high computational performance, less energy consumption and flexibility in scheduling the system processes. However, the resulting interleaving and memory interference together with per-core frequency tuning make real-time guarantees hard to be delivered. Besides, energy consumption represents a strong constraint for the deployment of such systems on energy-limited settings. Identifying the system configurations that would achieve a high performance and consume less energy while guaranteeing the system schedulability is a complex task in the design of modern embedded systems. This work studies the trade-off between energy consumption, cores utilization and memory bottleneck and their impact on the schedulability of DVFS multicore time-critical systems with a hierarchy of shared memories. We build a model-based framework using Parametrized Timed Automata of UPPAAL to analyze the mutual impact of performance, energy consumption and schedulability of DVFS multicore systems, and demonstrate the trade-off on an actual case study.

Keywords: time-critical systems, multicore systems, schedulability analysis, energy consumption, performance analysis

Procedia PDF Downloads 108
12762 Geographic Information System for District Level Energy Performance Simulations

Authors: Avichal Malhotra, Jerome Frisch, Christoph van Treeck

Abstract:

The utilization of semantic, cadastral and topological data from geographic information systems (GIS) has exponentially increased for building and urban-scale energy performance simulations. Urban planners, simulation scientists, and researchers use virtual 3D city models for energy analysis, algorithms and simulation tools. For dynamic energy simulations at city and district level, this paper provides an overview of the available GIS data models and their levels of detail. Adhering to different norms and standards, these models also intend to describe building and construction industry data. For further investigations, CityGML data models are considered for simulations. Though geographical information modelling has considerably many different implementations, extensions of virtual city data can also be made for domain specific applications. Highlighting the use of the extended CityGML models for energy researches, a brief introduction to the Energy Application Domain Extension (ADE) along with its significance is made. Consequently, addressing specific input simulation data, a workflow using Modelica underlining the usage of GIS information and the quantification of its significance over annual heating energy demand is presented in this paper.

Keywords: CityGML, EnergyADE, energy performance simulation, GIS

Procedia PDF Downloads 172
12761 Mining Coupled to Agriculture: Systems Thinking in Scalable Food Production

Authors: Jason West

Abstract:

Low profitability in agriculture production along with increasing scrutiny over environmental effects is limiting food production at scale. In contrast, the mining sector offers access to resources including energy, water, transport and chemicals for food production at low marginal cost. Scalable agricultural production can benefit from the nexus of resources (water, energy, transport) offered by mining activity in remote locations. A decision support bioeconomic model for controlled environment vertical farms was used. Four submodels were used: crop structure, nutrient requirements, resource-crop integration, and economic. They escalate to a macro mathematical model. A demonstrable dynamic systems framework is needed to prove productive outcomes are feasible. We demonstrate a generalized bioeconomic macro model for controlled environment production systems in minesites using systems dynamics modeling methodology. Despite the complexity of bioeconomic modelling of resource-agricultural dynamic processes and interactions, the economic potential greater than general economic models would assume. Scalability of production as an input becomes a key success feature.

Keywords: crop production systems, mathematical model, mining, agriculture, dynamic systems

Procedia PDF Downloads 77
12760 Development of Expanded Perlite-Caprylicacid Composite for Temperature Maintainance in Buildings

Authors: Akhila Konala, Jagadeeswara Reddy Vennapusa, Sujay Chattopadhyay

Abstract:

The energy consumption of humankind is growing day by day due to an increase in the population, industrialization and their needs for living. Fossil fuels are the major source of energy to satisfy energy needs, which are non-renewable energy resources. So, there is a need to develop green resources for energy production and storage. Phase change materials (PCMs) derived from plants (green resources) are well known for their capacity to store the thermal energy as latent heat during their phase change from solid to liquid. This property of PCM could be used for storage of thermal energy. In this study, a composite with fatty acid (caprylic acid; M.P 15°C, Enthalpy 179kJ/kg) as a phase change material and expanded perlite as support porous matrix was prepared through direct impregnation method for thermal energy storage applications. The prepared composite was characterized using Differential scanning calorimetry (DSC), Field Emission Scanning Electron Microscope (FESEM), Thermal Gravimetric Analysis (TGA), and Fourier Transform Infrared (FTIR) spectrometer. The melting point of the prepared composite was 15.65°C, and the melting enthalpy was 82kJ/kg. The surface nature of the perlite was observed through FESEM. It was observed that there are micro size pores in the perlite surface, which were responsible for the absorption of PCM into perlite. In TGA thermogram, the PCM loss from composite was started at ~90°C. FTIR curves proved there was no chemical interaction between the perlite and caprylic acid. So, the PCM composite prepared in this work could be effective to use in temperature maintenance of buildings.

Keywords: caprylic acid, composite, phase change materials, PCM, perlite, thermal energy

Procedia PDF Downloads 123
12759 A Dynamical Approach for Relating Energy Consumption to Hybrid Inventory Level in the Supply Chain

Authors: Benga Ebouele, Thomas Tengen

Abstract:

Due to long lead time, work in process (WIP) inventory can manifest within the supply chain of most manufacturing system. It implies that there are lesser finished good on hand and more in the process because the work remains in the factory too long and cannot be sold to either customers The supply chain of most manufacturing system is then considered as inefficient as it take so much time to produce the finished good. Time consumed in each operation of the supply chain has an associated energy costs. Such phenomena can be harmful for a hybrid inventory system because a lot of space to store these semi-finished goods may be needed and one is not sure about the final energy cost of producing, holding and delivering the good to customers. The principle that reduces waste of energy within the supply chain of most manufacturing firms should therefore be available to all inventory managers in pursuit of profitability. Decision making by inventory managers in this condition is a modeling process, whereby a dynamical approach is used to depict, examine, specify and even operationalize the relationship between energy consumption and hybrid inventory level. The relationship between energy consumption and inventory level is established, which indicates a poor level of control and hence a potential for energy savings.

Keywords: dynamic modelling, energy used, hybrid inventory, supply chain

Procedia PDF Downloads 268
12758 Comparison of Double Unit Tunnel Form Building before and after Repair and Retrofit under in-Plane Cyclic Loading

Authors: S. A. Anuar, N. H. Hamid, M. H. Hashim, S. M. D. Salleh

Abstract:

This paper present the experimental work on the seismic performance of double unit tunnel form building (TFB) subjected to in-plane lateral cyclic loading. A one third scale of 3-storey double unit of TFB is tested at ±0.01%, ±0.1%, ±0.25%, ±0.5%, ±0.75% and ±1.0% drifts until the structure achieves its strength degradation. After that, the TFB is repaired and retrofitted using additional shear wall, steel angle and CFRP sheet. A similar testing approach is applied to the specimen after repair and retrofit. The crack patterns, lateral strength, stiffness, ductility and equivalent viscous damping (EVD) were analyzed and compared before and after repair and retrofit. The result indicates that the lateral strength increases by 22 in pushing direction and 27% in pulling direction. Moreover, the stiffness and ductility obtained before and after retrofit increase tremendously by 87.87% and 39.66%, respectively. Meanwhile, the energy absorption measured by equivalent viscous damping obtained after retrofit increase by 12.34% in pulling direction. It can be concluded that the proposed retrofit method is capable to increase the lateral strength capacity, stiffness and energy absorption of double unit TFB.

Keywords: tunnel form building, in-plane lateral cyclic loading, crack pattern, lateral strength, stiffness, ductility, equivalent viscous damping, repair and retrofit

Procedia PDF Downloads 354
12757 Routing Protocol in Ship Dynamic Positioning Based on WSN Clustering Data Fusion System

Authors: Zhou Mo, Dennis Chow

Abstract:

In the dynamic positioning system (DPS) for vessels, the reliable information transmission between each note basically relies on the wireless protocols. From the perspective of cluster-based routing protocols for wireless sensor networks, the data fusion technology based on the sleep scheduling mechanism and remaining energy in network layer is proposed, which applies the sleep scheduling mechanism to the routing protocols, considering the remaining energy of node and location information when selecting cluster-head. The problem of uneven distribution of nodes in each cluster is solved by the Equilibrium. At the same time, Classified Forwarding Mechanism as well as Redelivery Policy strategy is adopted to avoid congestion in the transmission of huge amount of data, reduce the delay in data delivery and enhance the real-time response. In this paper, a simulation test is conducted to improve the routing protocols, which turn out to reduce the energy consumption of nodes and increase the efficiency of data delivery.

Keywords: DPS for vessel, wireless sensor network, data fusion, routing protocols

Procedia PDF Downloads 525
12756 Estimation of Carbon Dioxide Absorption in DKI Jakarta Green Space

Authors: Mario Belseran

Abstract:

The issue of climate change become world attention where one of them increase in air temperature due to greenhouse gas emissions. This climate change is caused by gases in the atmosphere, one of which is CO2. DKI Jakarta as the capital has a dense population with a variety of existing land use. Land use that is dominated by settlements resulting in fewer green space, which functions to absorb atmospheric CO2. Image interpretation SPOT-7 is used to determine the greenness level of vegetation on a green space using the vegetation index NDVI, EVI, GNDVI and OSAVI. Measuring the diameter and height of trees were also performed to obtain the value of biomass that will be used as the CO2 absorption value. The CO2 absorption value that spread in Jakarta are classified into three classes: high, medium, and low. The distribution pattern of CO2 absorption value at green space in Jakarta dominance in the medium class with the distribution pattern is located in South Jakarta, East Jakarta, North Jakarta and West Jakarta. The distribution pattern of green space in Jakarta scattered randomly and more dominate in East Jakarta and South Jakarta

Keywords: carbon dioxide, DKI Jakarta, green space, SPOT-7, vegetation index

Procedia PDF Downloads 281
12755 Effect of Operating Conditions on the Process Hydrogen Storage in Metal Hydride

Authors: A. Babou, Y. Kerboua Ziari, Y. Kerkoub

Abstract:

The risks of depletion of fossil fuel reserves and environmental problems caused by their consumption cause to consider alternative energy solutions. Hydrogen appears as a serious solution because its combustion produces only water. The objective of this study is to digitally analyze the effect of operating conditions on the process of absorption of hydrogen in a tank of metal hydride alloy Lanthanum - Nickel (LaNi 5). For this modeling of heat transfer and mass in the tank was carried .The results of numerical weather prediction are in good agreement with the experimental results.

Keywords: hydrogen, storage, energy, fuel, simulation

Procedia PDF Downloads 306
12754 Systematic Approach for Energy-Supply-Orientated Production Planning

Authors: F. Keller, G. Reinhart

Abstract:

The efficient and economic allocation of resources is one main goal in the field of production planning and control. Nowadays, a new variable gains in importance throughout the planning process: Energy. Energy-efficiency has already been widely discussed in literature, but with a strong focus on reducing the overall amount of energy used in production. This paper provides a brief systematic approach, how energy-supply-orientation can be used for an energy-cost-efficient production planning and thus combining the idea of energy-efficiency and energy-flexibility.

Keywords: production planning, production control, energy-efficiency, energy-flexibility, energy-supply

Procedia PDF Downloads 649
12753 Research on Routing Protocol in Ship Dynamic Positioning Based on WSN Clustering Data Fusion System

Authors: Zhou Mo, Dennis Chow

Abstract:

In the dynamic positioning system (DPS) for vessels, the reliable information transmission between each note basically relies on the wireless protocols. From the perspective of cluster-based routing pro-tocols for wireless sensor networks, the data fusion technology based on the sleep scheduling mechanism and remaining energy in network layer is proposed, which applies the sleep scheduling mechanism to the routing protocols, considering the remaining energy of node and location information when selecting cluster-head. The problem of uneven distribution of nodes in each cluster is solved by the Equilibrium. At the same time, Classified Forwarding Mechanism as well as Redelivery Policy strategy is adopted to avoid congestion in the transmission of huge amount of data, reduce the delay in data delivery and enhance the real-time response. In this paper, a simulation test is conducted to improve the routing protocols, which turns out to reduce the energy consumption of nodes and increase the efficiency of data delivery.

Keywords: DPS for vessel, wireless sensor network, data fusion, routing protocols

Procedia PDF Downloads 469
12752 Improving the Dimensional Stability of Bamboo Woven Strand Board

Authors: Gulelat Gatew

Abstract:

Bamboo Woven Strand Board (WSB) products are manufactured from Ethiopia highland bamboo (Yushania alpina) as a multiple layer mat structure for enhanced mechanical performance. Hence, it shows similar mechanical properties as tropical hardwood products. WSB, therefore, constitutes a sustainable alternative to tropical hardwood products. The resin and wax ratio had a great influence on the determinants properties of the product quality such as internal bonding, water absorption, thickness swelling, bending and stiffness properties. Among these properties, because of the hygroscopic nature of the bamboo, thickness swelling and water absorption are important performances of WSB for using in construction and outdoor facilities. When WSB is exposed to water or moist environment, they tend to swell and absorb water in all directions. The degree of swelling and water absorption depends on the type of resin used, resin formulation, resin ratio, wax type and ratio. The objective of this research is investigating effects of phenol formaldehyde and wax on thickness swelling and water absorption behavior on bamboo WSB for construction and outdoor facilities. The experiments were conducted to measure the effects of wax and phenol-formaldehyde resin content on WSB thickness swelling and water absorption which leads to investigate its effect on dimension stability and mechanical properties. Both experiments were performed with 2–hour and 24-hour water immersion test and a significant set of data regarding the influence of such method parameters is also presented. The addition of up to 2% wax with 10% of phenol formaldehyde significantly reduced thickness swelling and water absorption of WSB which resulted in making it more hydrophobic and less susceptible to the influences of moisture in high humidity conditions compared to the panels without wax.

Keywords: woven strand board (WSB), water absorption, thickness swelling, phenol formaldehyde resin

Procedia PDF Downloads 212
12751 Assessment of Drug Delivery Systems from Molecular Dynamic Perspective

Authors: M. Rahimnejad, B. Vahidi, B. Ebrahimi Hoseinzadeh, F. Yazdian, P. Motamed Fath, R. Jamjah

Abstract:

In this study, we developed and simulated nano-drug delivery systems efficacy in compare to free drug prescription. Computational models can be utilized to accelerate experimental steps and control the experiments high cost. Molecular dynamics simulation (MDS), in particular NAMD was utilized to better understand the anti-cancer drug interaction with cell membrane model. Paclitaxel (PTX) and dipalmitoylphosphatidylcholine (DPPC) were selected for the drug molecule and as a natural phospholipid nanocarrier, respectively. This work focused on two important interaction parameters between molecules in terms of center of mass (COM) and van der Waals interaction energy. Furthermore, we compared the simulation results of the PTX interaction with the cell membrane and the interaction of DPPC as a nanocarrier loaded by the drug with the cell membrane. The molecular dynamic analysis resulted in low energy between the nanocarrier and the cell membrane as well as significant decrease of COM amount in the nanocarrier and the cell membrane system during the interaction. Thus, the drug vehicle showed notably better interaction with the cell membrane in compared to free drug interaction with the cell membrane.

Keywords: anti-cancer drug, center of mass, interaction energy, molecular dynamics simulation, nanocarrier

Procedia PDF Downloads 341
12750 Potentials and Influencing Factors of Dynamic Pricing in Business: Empirical Insights of European Experts

Authors: Christopher Reichstein, Ralf-Christian Härting, Martina Häußler

Abstract:

With a continuously increasing speed of information exchange on the World Wide Web, retailers in the E-Commerce sector are faced with immense possibilities regarding different online purchase processes like dynamic price settings. By use of Dynamic Pricing, retailers are able to set short time price changes in order to optimize producer surplus. The empirical research illustrates the basics of Dynamic Pricing and identifies six influencing factors of Dynamic Pricing. The results of a structural equation modeling approach show five main drivers increasing the potential of dynamic price settings in the E-Commerce. Influencing factors are the knowledge of customers’ individual willingness to pay, rising sales, the possibility of customization, the data volume and the information about competitors’ pricing strategy.

Keywords: e-commerce, empirical research, experts, dynamic pricing (DP), influencing factors, potentials

Procedia PDF Downloads 266
12749 Performance Evaluation of Dynamic Signal Control System for Mixed Traffic Conditions

Authors: Aneesh Babu, S. P. Anusha

Abstract:

A dynamic signal control system combines traditional traffic lights with an array of sensors to intelligently control vehicle and pedestrian traffic. The present study focus on evaluating the performance of dynamic signal control systems for mixed traffic conditions. Data collected from four different approaches to a typical four-legged signalized intersection at Trivandrum city in the Kerala state of India is used for the study. Performance of three other dynamic signal control methods, namely (i) Non-sequential method (ii) Webster design for consecutive signal cycle using flow as input, and (iii) dynamic signal control using RFID delay as input, were evaluated. The evaluation of the dynamic signal control systems was carried out using a calibrated VISSIM microsimulation model. Python programming was used to integrate the dynamic signal control algorithm through the COM interface in VISSIM. The intersection delay obtained from different dynamic signal control methods was compared with the delay obtained from fixed signal control. Based on the study results, it was observed that the intersection delay was reduced significantly by using dynamic signal control methods. The dynamic signal control method using delay from RFID sensors resulted in a higher percentage reduction in delay and hence is a suitable choice for implementation under mixed traffic conditions. The developed dynamic signal control strategies can be implemented in ITS applications under mixed traffic conditions.

Keywords: dynamic signal control, intersection delay, mixed traffic conditions, RFID sensors

Procedia PDF Downloads 108
12748 Developing the Methods for the Study of Static and Dynamic Balance

Authors: K. Abuzayan, H. Alabed, J. Ezarrugh, M. Agila

Abstract:

Static and dynamic balance are essential in daily and sports life. Many factors have been identified as influencing static balance control. Therefore, the aim of this study was to apply the (XCoM) method and other relevant variables (CoP, CoM, Fh, KE, P, Q, and, AI) to investigate sport related activities such as hopping and jumping. Many studies have represented the CoP data without mentioning its accuracy, so several experiments were done to establish the agreement between the CoP and the projected CoM in a static condition. Five male healthy (Mean ± SD:- age 24.6 years ±4.5, height 177 cm ± 6.3, body mass 72.8 kg ± 6.6) participated in this study. Results found that The implementation of the XCoM method was found to be practical for evaluating both static and dynamic balance. The general findings were that the CoP, the CoM, the XCoM, Fh, and Q were more informative than the other variables (e.g. KE, P, and AI) during static and dynamic balance. The XCoM method was found to be applicable to dynamic balance as well as static balance.

Keywords: centre of mass, static balance, dynamic balance, extrapolated centre of mass

Procedia PDF Downloads 421
12747 Assessment of the Energy Balance Method in the Case of Masonry Domes

Authors: M. M. Sadeghi, S. Vahdani

Abstract:

Masonry dome structures had been widely used for covering large spans in the past. The seismic assessment of these historical structures is very complicated due to the nonlinear behavior of the material, their rigidness, and special stability configuration. The assessment method based on energy balance concept, as well as the standard pushover analysis, is used to evaluate the effectiveness of these methods in the case of masonry dome structures. The Soltanieh dome building is used as an example to which two methods are applied. The performance points are given from superimposing the capacity, and demand curves in Acceleration Displacement Response Spectra (ADRS) and energy coordination are compared with the nonlinear time history analysis as the exact result. The results show a good agreement between the dynamic analysis and the energy balance method, but standard pushover method does not provide an acceptable estimation.

Keywords: energy balance method, pushover analysis, time history analysis, masonry dome

Procedia PDF Downloads 281
12746 Analysis of Sound Absorption Coefficient

Authors: Zakiul Fuady, Ismail AB, Fauzi, Zulfian

Abstract:

This research was conducted to analyze the absorption coefficients of sound at several types of materials as well as its combinations. The aim of this research was to find the value of sound absorption coefficients on the materials and its combinations. The materials used in this research were gypsum panel, gypsum-fibre palm, fibre palm-gypsum, and foamed concrete-fibre palm. The test was conducted by using a method of reverberation chamber based on the ISO 354-1985 with the types of the sound source: white noise and pink noise at the frequency of 125 Hz - 8000 Hz. Based on the test results of white noise, it was found that the panel of gypsum-fibre palm has α = 0.93 at low frequency; the panel of fibre palm has α = 0.97 at a medium frequency; and the panel of foamed concrete-fibre palm has α = 0.89 at high frequency. Further, for the sound source of pink noise, it was found that the panel of gypsum-fibre palm has α = 0.99 at low level; the panel of fibre palm-gypsum has α = 0.86 at medium level; and the panel of fibre palm-gypsum has α = 0.64 at high level. The fibre palm panel could absorb the sounds well since this material has bigger airspace (pore) than the foamed concrete and gypsum. Consequently, when the sounds wave enters to this material it will be trapped in the space. The panel of fibre palm affected an increasing of sound absorption coefficient value at the combination materials when the panel of fibre palm was placed under another panel. However, the absorption coefficient values of both fibre palm and fibre palm-gypsum panels are about the same.

Keywords: coefficient of sound absorption, pink noise, white noise, palm

Procedia PDF Downloads 255
12745 Computational Approach to Cyclin-Dependent Kinase 2 Inhibitors Design and Analysis: Merging Quantitative Structure-Activity Relationship, Absorption, Distribution, Metabolism, Excretion, and Toxicity, Molecular Docking, and Molecular Dynamics Simulations

Authors: Mohamed Moussaoui, Mouna Baassi, Soukayna Baammi, Hatim Soufi, Mohammed Salah, Rachid Daoud, Achraf EL Allali, Mohammed Elalaoui Belghiti, Said Belaaouad

Abstract:

The present study aims to investigate the quantitative structure-activity relationship (QSAR) of a series of Thiazole derivatives reported as anticancer agents (hepatocellular carcinoma), using principally the electronic descriptors calculated by the density functional theory (DFT) method and by applying the multiple linear regression method. The developed model showed good statistical parameters (R²= 0.725, R²ₐ𝒹ⱼ= 0.653, MSE = 0.060, R²ₜₑₛₜ= 0.827, Q²𝒸ᵥ = 0.536). The energy of the highest occupied molecular orbital (EHOMO) orbital, electronic energy (TE), shape coefficient (I), number of rotatable bonds (NROT), and index of refraction (n) were revealed to be the main descriptors influencing the anti-cancer activity. Additional Thiazole derivatives were then designed and their activities and pharmacokinetic properties were predicted using the validated QSAR model. These designed molecules underwent evaluation through molecular docking (MD) and molecular dynamic (MD) simulations, with binding affinity calculated using the MMPBSA script according to a 100 ns simulation trajectory. This process aimed to study both their affinity and stability towards Cyclin-Dependent Kinase 2 (CDK2), a target protein for cancer disease treatment. The research concluded by identifying four CDK2 inhibitors - A1, A3, A5, and A6 - displaying satisfactory pharmacokinetic properties. MDs results indicated that the designed compound A5 remained stable in the active center of the CDK2 protein, suggesting its potential as an effective inhibitor for the treatment of hepatocellular carcinoma. The findings of this study could contribute significantly to the development of effective CDK2 inhibitors.

Keywords: QSAR, ADMET, Thiazole, anticancer, molecular docking, molecular dynamic simulations, MMPBSA calculation

Procedia PDF Downloads 110
12744 Electronic, Magnetic and Optic Properties in Halide Perovskites CsPbX3 (X= F, Cl, I)

Authors: B. Bouadjemi, S. Bentata, T. Lantri, Souidi Amel, W.Bensaali, A. Zitouni, Z. Aziz

Abstract:

We performed first-principle calculations, the full-potential linearized augmented plane wave (FP-LAPW) method is used to calculate structural, optoelectronic and magnetic properties of cubic halide perovskites CsPbX3 (X= F,I). We employed for this study the GGA approach and for exchange is modeled using the modified Becke-Johnson (mBJ) potential to predicting the accurate band gap of these materials. The optical properties (namely: the real and imaginary parts of dielectric functions, optical conductivities and absorption coefficient absorption make this halide perovskites promising materials for solar cells applications.

Keywords: halide perovskites, mBJ, solar cells, FP-LAPW, optoelectronic properties, absorption coefficient

Procedia PDF Downloads 323
12743 Dynamic Response and Damage Modeling of Glass Fiber Reinforced Epoxy Composite Pipes: Numerical Investigation

Authors: Ammar Maziz, Mostapha Tarfaoui, Said Rechak

Abstract:

The high mechanical performance of composite pipes can be adversely affected by their low resistance to impact loads. Loads in dynamic origin are dangerous and cause consequences on the operation of pipes because the damage is often not detected and can affect the structural integrity of composite pipes. In this work, an advanced 3-D finite element (FE) model, based on the use of intralaminar damage models was developed and used to predict damage under low-velocity impact. The performance of the numerical model is validated with the confrontation with the results of experimental tests. The results show that at low impact energy, the damage happens mainly by matrix cracking and delamination. The model capabilities to simulate the low-velocity impact events on the full-scale composite structures were proved.

Keywords: composite materials, low velocity impact, FEA, dynamic behavior, progressive damage modeling

Procedia PDF Downloads 172
12742 A 500 MWₑ Coal-Fired Power Plant Operated under Partial Oxy-Combustion: Methodology and Economic Evaluation

Authors: Fernando Vega, Esmeralda Portillo, Sara Camino, Benito Navarrete, Elena Montavez

Abstract:

The European Union aims at strongly reducing their CO₂ emissions from energy and industrial sector by 2030. The energy sector contributes with more than two-thirds of the CO₂ emission share derived from anthropogenic activities. Although efforts are mainly focused on the use of renewables by energy production sector, carbon capture and storage (CCS) remains as a frontline option to reduce CO₂ emissions from industrial process, particularly from fossil-fuel power plants and cement production. Among the most feasible and near-to-market CCS technologies, namely post-combustion and oxy-combustion, partial oxy-combustion is a novel concept that can potentially reduce the overall energy requirements of the CO₂ capture process. This technology consists in the use of higher oxygen content in the oxidizer that should increase the CO₂ concentration of the flue gas once the fuel is burnt. The CO₂ is then separated from the flue gas downstream by means of a conventional CO₂ chemical absorption process. The production of a higher CO₂ concentrated flue gas should enhance the CO₂ absorption into the solvent, leading to further reductions of the CO₂ separation performance in terms of solvent flow-rate, equipment size, and energy penalty related to the solvent regeneration. This work evaluates a portfolio of CCS technologies applied to fossil-fuel power plants. For this purpose, an economic evaluation methodology was developed in detail to determine the main economical parameters for CO₂ emission removal such as the levelized cost of electricity (LCOE) and the CO₂ captured and avoided costs. ASPEN Plus™ software was used to simulate the main units of power plant and solve the energy and mass balance. Capital and investment costs were determined from the purchased cost of equipment, also engineering costs and project and process contingencies. The annual capital cost and operating and maintenance costs were later obtained. A complete energy balance was performed to determine the net power produced in each case. The baseline case consists of a supercritical 500 MWe coal-fired power plant using anthracite as a fuel without any CO₂ capture system. Four cases were proposed: conventional post-combustion capture, oxy-combustion and partial oxy-combustion using two levels of oxygen-enriched air (40%v/v and 75%v/v). CO₂ chemical absorption process using monoethanolamine (MEA) was used as a CO₂ separation process whereas the O₂ requirement was achieved using a conventional air separation unit (ASU) based on Linde's cryogenic process. Results showed a reduction of 15% of the total investment cost of the CO₂ separation process when partial oxy-combustion was used. Oxygen-enriched air production also reduced almost half the investment costs required for ASU in comparison with oxy-combustion cases. Partial oxy-combustion has a significant impact on the performance of both CO₂ separation and O₂ production technologies, and it can lead to further energy reductions using new developments on both CO₂ and O₂ separation processes.

Keywords: carbon capture, cost methodology, economic evaluation, partial oxy-combustion

Procedia PDF Downloads 149
12741 Energy Saving Study of Mass Rapid Transit by Optimal Train Coasting Operation

Authors: Artiya Sopharak, Tosaphol Ratniyomchai, Thanatchai Kulworawanichpong

Abstract:

This paper presents an energy-saving study of Mass Rapid Transit (MRT) using an optimal train coasting operation. For the dynamic train movement with four modes of operation, including accelerating mode, constant speed or cruising mode, coasting mode, and braking mode are considered in this study. The acceleration rate, the deceleration rate, and the starting coasting point are taken into account the optimal train speed profile during coasting mode with considering the energy saving and acceptable travel time comparison to the based case with no coasting operation. In this study, the mathematical method as a Quadratic Search Method (QDS) is conducted to carry out the optimization problem. A single train of MRT services between two stations with a distance of 2 km and a maximum speed of 80 km/h is taken to be the case study. Regarding the coasting mode operation, the results show that the longer distance of costing mode, the less energy consumption in cruising mode and the less braking energy. On the other hand, the shorter distance of coasting mode, the more energy consumption in cruising mode and the more braking energy.

Keywords: energy saving, coasting mode, mass rapid transit, quadratic search method

Procedia PDF Downloads 302
12740 Study on High Performance Fiber Reinforced Concrete (HPFRC) Beams on Subjected to Cyclic Loading

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

Abstract:

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

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

Procedia PDF Downloads 277
12739 Influence of Strengthening with Perforated Steel Plates on the Behavior of Infill Walls and RC Frame

Authors: Eray Ozbek, Ilker Kalkan, S. Oguzhan Akbas, Sabahattin Aykac

Abstract:

The contribution of the infill walls to the overall earthquake response of a structure is limited and this contribution is generally ignored in the analyses. Strengthening of the infill walls through different techniques has been and is being studied extensively in the literature to increase this limited contribution and the ductilities and energy absorption capacities of the infill walls to create non-structural components where the earthquake-induced energy can be absorbed without damaging the bearing components of the structural frame. The present paper summarizes an extensive research project dedicated to investigate the effects of strengthening the brick infill walls of a reinforced concrete (RC) frame on its lateral earthquake response. Perforated steel plates were used in strengthening due to several reasons, including the ductility and high deformation capacity of these plates, the fire resistant, recyclable and non-cancerogenic nature of mild steel, and the ease of installation and removal of the plates to the wall with the help of anchor bolts only. Furthermore, epoxy, which increases the cost and amount of labor of the strengthening process, is not needed in this technique. The individual behavior of the strengthened walls under monotonic diagonal and lateral reversed cyclic loading was investigated within the scope of the study. Upon achieving brilliant results, RC frames with strengthened infill walls were tested and are being tested to examine the influence of this strengthening technique on the overall behavior of the RC frames. Tests on the wall and frame specimens indicated that the perforated steel plates contribute to the lateral strength, rigidity, ductility and energy absorption capacity of the wall and the infilled frame to a major extent.

Keywords: infill wall, strengthening, external plate, earthquake behavior

Procedia PDF Downloads 451
12738 Preliminary Study of Desiccant Cooling System under Algerian Climates

Authors: N. Hatraf, N. Moummi

Abstract:

The interest in air conditioning using renewable energies is increasing. The thermal energy produced from the solar energy can be converted to useful cooling and heating through the thermochemical or thermophysical processes by using thermally activated energy conversion systems. The ambient air contains so much water that very high dehumidification rates are required. For a continuous dehumidification of the process air, the water adsorbed on the desiccant material has to be removed, which is done by allowing hot air to flow through the desiccant material (regeneration). A solid desiccant cooling system transfers moisture from the inlet air to the silica gel by using two processes: Absorption process and the regeneration process. The main aim of this paper is to study how the dehumidification rate, the generation temperature and many other factors influence the efficiency of a solid desiccant system by using TRNSYS software. The results show that the desiccant system could be used to decrease the humidity rate of the entering air.

Keywords: dehumidification, efficiency, humidity, Trnsys

Procedia PDF Downloads 441
12737 Environmental and Economic Analysis of Absorption Air Conditioning Unit Onboard Marine Vehicles: Case Study of Passenger Vessel

Authors: Ibrahim S. Seddiek, Nader R. Ammar

Abstract:

One of the most important equipment that affects the performance of passenger ships is the air conditioning system, which in turn consumes considerable electric loads. In this paper, the waste heat energies of exhaust gases and jacket cooling water of marine diesel engines for these ships are analyzed to be used as heat sources for absorption refrigeration unit (ARU). Economic and environmental analysis of the absorption refrigeration cycle operated with the two heat sources that use lithium bromide as absorbent is carried out. In addition, environmental and economic analysis for the absorption cycle is performed. As a case study, high-speed passenger vessel operating in the Red Sea area has been investigated. The results show that a considerable specific economic benefit could be achieved in case of applying absorption air condition that operates by water cooling system over that operates by main engine exhaust gases. Environmentally, applying ARU machine during cruise will reduce total ship’s fuel consumption by about 104 ton per year. This will result in reducing NOₓ, SOₓ, and CO₂ emissions with cost-effectiveness of 6.99 $/kg, 18.44 $/kg, and 0.117 $/kg, respectively.

Keywords: ship emissions, IMO, lithium bromide-water ARU, analysis, thermodynamic, economic and environmental analysis

Procedia PDF Downloads 286