Search results for: energy models

Authors: V. Fayaz , F. Felegary

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Here, in this work we study correspondence the energy density New agegraphic and the energy density Gauss- Bonnet models in flat universe. We reconstruct Λ  and Λ ω for them with 0 ( ) 0 h a t = a t .

Keywords: dark energy, new age graphic, gauss- bonnet, late time universe

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Authors: S. Shahrooi, I. H. Metselaar, Z. Huda

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When considering the development of constitutive equations describing the behavior of materials under cyclic plastic strains, different kinds of formulations can be adopted. The primary intention of this study is to develop computer programming of plasticity models to accurately predict the life of engineering components. For this purpose, the energy or cyclic strain is computed in multi-surface plasticity models in non-proportional loading and to present their procedures and codes results.

Keywords: Strain energy, cyclic plasticity model, multi-surface model, codes result.

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Authors: Mohammad Seifi, Azura Bt. Che Soh, Noor Izzrib. Abd. Wahab, Mohd Khair B. Hassan

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Solar energy has a major role in renewable energy resources. Solar Cell as a basement of solar system has attracted lots of research. To conduct a study about solar energy system, an authenticated model is required. Diode base PV models are widely used by researchers. These models are classified based on the number of diodes used in them. Single and two-diode models are well studied. Single-diode models may have two, three or four elements. In this study, these solar cell models are examined and the simulation results are compared to each other. All PV models are re-designed in the Matlab/Simulink software and they examined by certain test conditions and parameters. This paper provides comparative studies of these models and it tries to compare the simulation results with manufacturer-s data sheet to investigate model validity and accuracy. The results show a four- element single-diode model is accurate and has moderate complexity in contrast to the two-diode model with higher complexity and accuracy

Keywords: Fill Factor (FF), Matlab/Simulink, Maximum PowerPoint (MPP), Maximum Power Point Tracker (MPPT), Photo Voltaic(PV), Solar cell, Standard Test Condition (STC).

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Authors: Yan Lyu, Yiqun Pan, Zhizhong Huang

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In the design stage of a new building, the energy model of this building is often required for the analysis of the performance on energy efficiency. In practice, a certain degree of geometric simplification should be done in the establishment of building energy models, since the detailed geometric features of a real building are hard to be described perfectly in most energy simulation engine, such as ESP-r, eQuest or EnergyPlus. Actually, the detailed description is not necessary when the result with extremely high accuracy is not demanded. Therefore, this paper analyzed the relationship between the error of the simulation result from building energy models and the geometric simplification of the models. Finally, the following two parameters are selected as the indices to characterize the geometric feature of in building energy simulation: the southward projected area and total side surface area of the building. Based on the parameterization method, the simplification from an arbitrary column building to a typical shape (a cuboid) building can be made for energy modeling. The result in this study indicates that no more than 7% prediction error of annual cooling/heating load will be caused by the geometric simplification for those buildings with the ratio of southward projection length to total perimeter of the bottom of 0.25~0.35, which means this method is applicable for building performance simulation.

Keywords: building energy model, simulation, geometric simplification, design, regression

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Authors: Munendra Kumar, Deepak Singh

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The present investigation aims to study the effect of channel bed slopes on energy dissipation across the different types of Piano Key Weir (PK weir or PKW) under the free-flow conditions in rigid rectangular channels. To this end, three different types (type-A, type-B, and type-C) of PKW models were tested and examined. To document and quantify this experimental investigation, a total of 270 tests were performed, including detailed observations of the flow field. The results show that the energy dissipation of all PKW models increases with the bed slopes and decreases with increasing the discharge over the weirs. In addition, the energy dissipation over the PKW varies significantly with the geometry of the weir. The type-A PKW has shown the highest energy dissipation than the other PKWs. As the bottom slope changed from Sb = 0% to 1.25%, the energy dissipation increased by about 8.5%, 9.1%, and 10.55% for type-A, type-B, and type-C, respectively.

Keywords: Piano key weir, bed slope, energy dissipation across PKW, free overfalls.

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Authors: Farzin Salmasi

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Energy dissipation in drops has been investigated by physical models. After determination of effective parameters on the phenomenon, three drops with different heights have been constructed from Plexiglas. They have been installed in two existing flumes in the hydraulic laboratory. Several runs of physical models have been undertaken to measured required parameters for determination of the energy dissipation. Results showed that the energy dissipation in drops depend on the drop height and discharge. Predicted relative energy dissipations varied from 10.0% to 94.3%. This work has also indicated that the energy loss at drop is mainly due to the mixing of the jet with the pool behind the jet that causes air bubble entrainment in the flow. Statistical model has been developed to predict the energy dissipation in vertical drops denotes nonlinear correlation between effective parameters. Further an artificial neural networks (ANNs) approach was used in this paper to develop an explicit procedure for calculating energy loss at drops using NeuroSolutions. Trained network was able to predict the response with R2 and RMSE 0.977 and 0.0085 respectively. The performance of ANN was found effective when compared to regression equations in predicting the energy loss.

Keywords: Air bubble, drop, energy loss, hydraulic jump, NeuroSolutions

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Authors: Donglan Zha, Jiansong Si

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Because of its flexibility, CES attracts much interest in economic growth and programming models, and the macroeconomics or micro-macro models. This paper focuses on the development, estimating methods of CES production function considering energy as an input. We leave for future research work of relaxing the assumption of constant returns to scale, the introduction of potential input factors, and the generalization method of the optimal nested form of multi-factor production functions.

Keywords: Bias of technical change, CES production function, elasticity of substitution, energy input.

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Authors: Amro Issam Hamed Attia Ramadan, Marco Zappatore, Pasquale Balena, Antonella Longo

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Considering the energy crisis that is hitting Europe, it becomes increasingly necessary to change energy policies to depend less on fossil fuels and replace them with energy from renewable sources. This has triggered the urge to use clean energy, not only to satisfy energy needs and fulfill the required consumption, but also to decrease the danger of climatic changes due to harmful emissions. Many countries have already started creating energy communities based on renewable energy sources. The first step to understanding energy needs in any place is to perfectly know the consumption. In this work, we aim to estimate electricity consumption for a municipality that makes up part of a rural area located in southern Italy using forecast models that allow for the estimation of electricity consumption for the next 10 years, and we then apply the same model to the province where the municipality is located and estimate the future consumption for the same period to examine whether it is possible to start from the municipality level to reach the province level when creating energy communities.

Keywords: ARIMA, electricity consumption, forecasting models, time series.

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Authors: Anastasia K. Eleftheriadou, Athanasios Sfetsos, Nikolaos Gounaris

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The current paper presents an extensive bottom-up framework for assessing building sector-specific vulnerability to climate change: energy supply and demand. The research focuses on the application of downscaled seasonal models for estimating energy performance of buildings in Greece. The ARW-WRF model has been set-up and suitably parameterized to produce downscaled climatological fields for Greece, forced by the output of the CFSv2 model. The outer domain, D01/Europe, included 345 x 345 cells of horizontal resolution 20 x 20 km2 and the inner domain, D02/Greece, comprised 180 x 180 cells of 5 x 5 km2 horizontal resolution. The model run has been setup for a period with a forecast horizon of 6 months, storing outputs on a six hourly basis.

Keywords: Urban environment, vulnerability, climate change, energy performance, seasonal forecast models.

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Authors: M. O. Oke, T. S. Workneh

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Drying behavior of blanched sweet potato in a cabinet dryer using different five air temperatures (40-80°C) and ten sweet potato varieties sliced to 5mm thickness were investigated. The drying data were fitted to eight models. The Modified Henderson and Pabis model gave the best fit to the experimental moisture ratio data obtained during the drying of all the varieties while Newton (Lewis) and Wang and Singh models gave the least fit. The values of Deff obtained for Bophelo variety (1.27 x 10-9 to 1.77 x 10-9 m2/s) was the least while that of S191 (1.93 x 10-9 to 2.47 x 10-9 m2/s) was the highest which indicates that moisture diffusivity in sweet potato is affected by the genetic factor. Activation energy values ranged from 0.27-6.54 kJ/mol. The lower activation energy indicates that drying of sweet potato slices requires less energy and is hence a cost and energy saving method. The drying behavior of blanched sweet potato was investigated in a cabinet dryer. Drying time decreased considerably with increase in hot air temperature. Out of the eight models fitted, the Modified Henderson and Pabis model gave the best fit to the experimental moisture ratio data on all the varieties while Newton, Wang and Singh models gave the least. The lower activation energy (0.27 - 6.54 kJ/mol) obtained indicates that drying of sweet potato slices requires less energy and is hence a cost and energy saving method.

Keywords: Sweet Potato Slice, Drying Models, Moisture Ratio, Moisture Diffusivity, Activation Energy.

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Authors: Majdi M. Alomari, Nafesah I. Alshdaifat, Mohammad S. Widyan

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Different countries have introduced different schemes and policies to counter global warming. The rationale behind the proposed policies and the potential barriers to successful implementation of the policies adopted by the countries were analyzed and estimated based on different models. It is argued that these models enhance the transparency and provide a better understanding to the policy makers. However, these models are underpinned with several structural and baseline assumptions. These assumptions, modeling features and future prediction of emission reductions and other implication such as cost and benefits of a transition to a low-carbon economy and its economy wide impacts were discussed. On the other hand, there are potential barriers in the form political, financial, and cultural and many others that pose a threat to the mitigation options.

Keywords: Economic wide impact, energy models, environmental policy instruments, mitigating CO2 emission.

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Authors: Ioannis P. Panapakidis, Marios N. Moschakis

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The Greek Energy Market is structured as a mandatory pool where the producers make their bid offers in day-ahead basis. The System Operator solves an optimization routine aiming at the minimization of the cost of produced electricity. The solution of the optimization problem leads to the calculation of the System Marginal Price (SMP). Accurate forecasts of the SMP can lead to increased profits and more efficient portfolio management from the producer`s perspective. Aim of this study is to provide a comparative analysis of various machine learning models such as artificial neural networks and neuro-fuzzy models for the prediction of the SMP of the Greek market. Machine learning algorithms are favored in predictions problems since they can capture and simulate the volatilities of complex time series.

Keywords: Deregulated energy market, forecasting, machine learning, system marginal price, energy efficiency and quality.

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Authors: Fazıl Gökgöz, Fahrettin Filiz

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Load forecasting has become crucial in recent years and become popular in forecasting area. Many different power forecasting models have been tried out for this purpose. Electricity load forecasting is necessary for energy policies, healthy and reliable grid systems. Effective power forecasting of renewable energy load leads the decision makers to minimize the costs of electric utilities and power plants. Forecasting tools are required that can be used to predict how much renewable energy can be utilized. The purpose of this study is to explore the effectiveness of LSTM-based neural networks for estimating renewable energy loads. In this study, we present models for predicting renewable energy loads based on deep neural networks, especially the Long Term Memory (LSTM) algorithms. Deep learning allows multiple layers of models to learn representation of data. LSTM algorithms are able to store information for long periods of time. Deep learning models have recently been used to forecast the renewable energy sources such as predicting wind and solar energy power. Historical load and weather information represent the most important variables for the inputs within the power forecasting models. The dataset contained power consumption measurements are gathered between January 2016 and December 2017 with one-hour resolution. Models use publicly available data from the Turkish Renewable Energy Resources Support Mechanism. Forecasting studies have been carried out with these data via deep neural networks approach including LSTM technique for Turkish electricity markets. 432 different models are created by changing layers cell count and dropout. The adaptive moment estimation (ADAM) algorithm is used for training as a gradient-based optimizer instead of SGD (stochastic gradient). ADAM performed better than SGD in terms of faster convergence and lower error rates. Models performance is compared according to MAE (Mean Absolute Error) and MSE (Mean Squared Error). Best five MAE results out of 432 tested models are 0.66, 0.74, 0.85 and 1.09. The forecasting performance of the proposed LSTM models gives successful results compared to literature searches.

Keywords: Deep learning, long-short-term memory, energy, renewable energy load forecasting.

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Authors: Rawaa H. El-Bidweihy, Hisham M. Abdelsalam, Ihab A. El-Khodary

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In an era where machines run and shape our world, the need for a stable, non-ending source of energy emerges. In this study, the focus was on the solar energy in Egypt as a renewable source, the most important factors that could affect the solar energy’s market share throughout its life cycle production were analyzed and filtered, the relationships between them were derived before structuring a Bayesian network. Also, forecasted models were built for multiple factors to predict the states in Egypt by 2035, based on historical data and patterns, to be used as the nodes’ states in the network. 37 factors were found to might have an impact on the use of solar energy and then were deducted to 12 factors that were chosen to be the most effective to the solar energy’s life cycle in Egypt, based on surveying experts and data analysis, some of the factors were found to be recurring in multiple stages. The presented Bayesian network could be used later for scenario and decision analysis of using solar energy in Egypt, as a stable renewable source for generating any type of energy needed.

Keywords: ARIMA, auto correlation, Bayesian network, forecasting models, life cycle, partial correlation, renewable energy, SARIMA, solar energy.

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Authors: M. H. Chung, B. Y. Lee, Y. Kim, E. K. Rhee

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With an increase in the interest in the energy conservation for buildings, and the emergence of many methods and easily-understandable approaches to it, energy conservation has now become the public’s main interest, as compared to in the past when it was only focused upon by experts. This study aims to help the occupants of a building to understand the energy efficiency and consumption of the building by providing them information on the building’s energy efficiency through a mobile application. The energy performance assessment models are proposed on the basis of the actual energy usage and building characteristics such as the architectural scheme and the building equipment. The university buildings in Korea are used as a case to demonstrate the mobile application.

Keywords: Energy consumption, energy performance assessment, mobile application, university buildings.

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Authors: Juan Sepúlveda

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Energy is a fundamental component in sustainability, the access and use of this resource is related with economic growth, social improvements, and environmental impacts. In this sense, energy efficiency has been studied as a factor that enhances the positive impacts of energy in communities; however, the implementation of efficiency requires strong policy and strategies that usually rely on individual measures focused in independent dimensions. In this paper, the problem of energy efficiency as a multi-objective problem is studied, using scientometric analysis to discover trends and patterns that allow to identify the main variables and study approximations related with a further development of models to integrate energy efficiency and MCA into policy making for small communities.

Keywords: Energy efficiency, MCA, Scientometrics, trends.

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Authors: Doseong Eom, Jeongmin Kim, Kwang Ryel Ryu

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Large exhibition halls require a lot of energy to maintain comfortable atmosphere for the visitors viewing inside. One way of reducing the energy cost is to have thermal energy storage systems installed so that the thermal energy can be stored in the middle of night when the energy price is low and then used later when the price is high. To minimize the overall energy cost, however, we should be able to decide how much energy to save during which time period exactly. If we can foresee future energy load and the corresponding cost, we will be able to make such decisions reasonably. In this paper, we use machine learning technique to obtain models for predicting weather conditions and the number of visitors on hourly basis for the next day. Based on the energy load thus predicted, we build a cost-optimal daily operation plan for the thermal energy storage systems and cooling and heating facilities through simulation-based optimization.

Keywords: Building energy management, machine learning, simulation-based optimization, operation planning.

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Authors: Amado, M. P., Amado, A., Poggi, F., Correia de Freitas, J.

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Today is widely understood that global energy consumption patterns are directly related to the urban expansion and development process. This expansion is based on the natural growth of human activities and has left most urban areas totally dependent on fossil fuel derived external energy inputs. This status-quo of production, transportation, storage and consumption of energy has become inefficient and is set to become even more so when the continuous increases in energy demand are factored in. The territorial management of land use and related activities is a central component in the search for more efficient models of energy use, models that can meet current and future regional, national and European goals.

In this paper a methodology is developed and discussed with the aim of improving energy efficiency at the municipal level. The development of this methodology is based on the monitoring of energy consumption and its use patterns resulting from the natural dynamism of human activities in the territory and can be utilized to assess sustainability at the local scale. A set of parameters and indicators are defined with the objective of constructing a systemic model based on the optimization, adaptation and innovation of the current energy framework and the associated energy consumption patterns. The use of the model will enable local governments to strike the necessary balance between human activities and economic development and the local and global environment while safeguarding fairness in the energy sector.

Keywords: Solar urban planning, solar smart city, urban development, energy efficiency.

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Authors: Abd Elrahman Elgamala, N. Darwish, I. Bondouk, Sh. Hamada

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Available experimental angular distributions for ⁶Li elastically scattered from ¹⁶O nucleus in the energy range 13.0–50.0 MeV are investigated and reanalyzed using optical model of the conventional phenomenological potential and also using double folding optical model of different interaction models: DDM3Y1, CDM3Y1, CDM3Y2, and CDM3Y3. All the involved models of interaction are of M3Y Paris except DDM3Y1 which is of M3Y Reid and the main difference between them lies in the different values for the parameters of the incorporated density distribution function F(ρ). We have extracted the renormalization factor N_R for ⁶Li+¹⁶O nuclear system in the energy range 13.0–50.0 MeV using the aforementioned interaction models.

Keywords: Elastic scattering, optical model, folding potential, density distribution.

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Authors: Yanqi Yang, Chongshan Liao, Cheuk Hin Ho, Susan Bridges

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Aim: To investigate students’ perceptions of using e-models in an inquiry-based curriculum. Approach: 52 second-year dental students completed a pre- and post-test questionnaire relating to their perceptions of e-models and their use in inquiry-based learning. The pre-test occurred prior to any learning with e-models. The follow-up survey was conducted after one year's experience of using e-models. Results: There was no significant difference between the two sets of questionnaires regarding students’ perceptions of the usefulness of e-models and their willingness to use e-models in future inquiry-based learning. Most students preferred using both plaster models and e-models in tandem. Conclusion: Students did not change their attitude towards e-models and most of them agreed or were neutral that e-models are useful in inquiry-based learning. Whilst recognizing the utility of 3D models for learning, students' preference for combining these with solid models has implications for the development of haptic sensibility in an operative discipline.

Keywords: E-models, inquiry-based curriculum, education.

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Authors: T. Y. Liu, C. H Lin., Y. M Ferng

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Wind energy is one of the clean renewable energy. However, the low frequency (20-200HZ) noise generated from the wind turbine blades, which bothers the residents, becomes the major problem to be developed. It is useful for predicting the aerodynamic noise by flow field and pressure distribution analysis on the wind turbine blades. Therefore, the main objective of this study is to use different turbulence models to analyze the flow field and pressure distributions of the wing blades.

Three-dimensional Computation Fluid Dynamics (CFD) simulation of the flow field was used to calculate the flow phenomena for the National Renewable Energy Laboratory (NREL) Phase VI horizontal axis wind turbine rotor. Two different flow cases with different wind speeds were investigated: 7m/s with 72rpm and 15m/s with 72rpm.

Four kinds of RANS-based turbulence models, Standard k-ε, Realizable k-ε, SST k-ω, and v2f, were used to predict and analyze the results in the present work. The results show that the predictions on pressure distributions with SST k-ω and v2f turbulence models have good agreements with experimental data.

Keywords: Horizontal Axis Wind Turbine, turbulence model, noise.

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Authors: John P. O’Sullivan, Thomas M. P. Ratouis, Michael J. O’Sullivan

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As the use of geothermal energy grows internationally more effort is required to monitor and protect areas with rare and important geothermal surface features. A number of approaches are presented for developing and calibrating numerical geothermal reservoir models that are capable of accurately representing geothermal surface features. The approaches are discussed in the context of cases studies of the Rotorua geothermal system and the Orakei-korako geothermal system, both of which contain important surface features. The results show that models are able to match the available field data accurately and hence can be used as valuable tools for predicting the future response of the systems to changes in use.

Keywords: Geothermal reservoir models, surface features, monitoring, TOUGH2.

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Authors: Wenhao Wang, Xinzhi Xu, Limin Feng, Wei Cong

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This paper comprehensively investigates current development status of global power grids and fossil energy pipelines (oil and natural gas), proposes a standard visual platform of global power and fossil energy based on Geographic Information System (GIS) technology. In this visual platform, a series of systematic visual models is proposed with global spatial data, systematic energy and power parameters. Under this visual platform, the current Global Power Grids Map and Global Fossil Energy Pipelines Map are plotted within more than 140 countries and regions across the world. Using the multi-scale fusion data processing and modeling methods, the world’s global fossil energy pipelines and power grids information system basic database is established, which provides important data supporting global fossil energy and electricity research. Finally, through the systematic and comparative study of global fossil energy pipelines and global power grids, the general status of global fossil energy and electricity development are reviewed, and energy transition in key areas are evaluated and analyzed. Through the comparison analysis of fossil energy and clean energy, the direction of relevant research is pointed out for clean development and energy transition.

Keywords: Energy Transition, geographic information system, fossil energy, power systems.

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Authors: S. M. Ali, A. Salam Khan, A. U. Khan, M. Tariq, M. S. Hussain, B. A. Abbasi, I. Hussain, U. Farid

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Environment and surrounding plays a pivotal rule in structuring life-style of the consumers. Living standards intern effect the energy consumption of the consumers. In smart grid paradigm, climate drifts, weather parameter and green environmental directly relates to the energy profiles of the various consumers, such as residential, commercial and industrial. Considering above factors helps policy in shaping utility load curves and optimal management of demand and supply. Thus, there is a pressing need to develop correlation models of load and weather parameters and critical analysis of the factors effecting energy profiles of smart grid consumers. In this paper, we elaborated various environment and weather parameter factors effecting demand of consumers. Moreover, we developed correlation models, such as Pearson, Spearman, and Kendall, an inter-relation between dependent (load) parameter and independent (weather) parameters. Furthermore, we validated our discussion with real-time data of Texas State. The numerical simulations proved the effective relation of climatic drifts with energy consumption of smart grid consumers.

Keywords: Climatic drifts, correlation analysis, energy consumption, smart grid, weather parameter.

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Authors: Samy M. El-Behery, Mofreh H. Hamed

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This paper presents a computational study of the separated flow in a planer asymmetric diffuser. The steady RANS equations for turbulent incompressible fluid flow and six turbulence closures are used in the present study. The commercial software code, FLUENT 6.3.26, was used for solving the set of governing equations using various turbulence models. Five of the used turbulence models are available directly in the code while the v2-f turbulence model was implemented via User Defined Scalars (UDS) and User Defined Functions (UDF). A series of computational analysis is performed to assess the performance of turbulence models at different grid density. The results show that the standard k-ω, SST k-ω and v2-f models clearly performed better than other models when an adverse pressure gradient was present. The RSM model shows an acceptable agreement with the velocity and turbulent kinetic energy profiles but it failed to predict the location of separation and attachment points. The standard k-ε and the low-Re k- ε delivered very poor results.

Keywords: Turbulence models, turbulent flow, wall functions, separation, reattachment, diffuser.

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Authors: Mustafa A. Al-Refai

Abstract:

This paper investigates the energy storage  technologies that can potentially enhance the use of solar energy.  Water electrolysis systems are seen as the principal means of  producing a large amount of hydrogen in the future. Starting from the  analysis of the models of the system components, a complete  simulation model was realized in the Matlab-Simulink environment.  Results of the numerical simulations are provided. The operation of  electrolysis and photovoltaic array combination is verified at various  insulation levels. It is pointed out that solar cell arrays and  electrolysers are producing the expected results with solar energy  inputs that are continuously varying.

Keywords: Electrolyzer, Simulink, solar energy, storage system.

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Authors: M. S. Alrubaih, M. F. M. Zain, N. L. N. Ibrahim, M.A. Alghoul, K. I. Ben Sauod

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Careful design and selection of daylighting systems can greatly help in reducing not only artificial lighting use, but also decrease cooling energy consumption and, therefore, potential for downsizing air-conditioning systems. This paper aims to evaluate the energy performance of two types of top-light daylighting systems due to the integration of daylight together with artificial lighting in an existing examinaton hall in University Kebangsaan Malaysia, based on a hot and humid climate. Computer simulation models have been created for building case study (base case) and the two types of toplight daylighting designs for building energy performance evaluation using the VisualDOE 4.0 building energy simulation program. The finding revealed that daylighting through top-light systems is a very beneficial design strategy in reducing annual lighting energy consumption and the overall total annual energy consumption.

Keywords: Academic buildings, Daylighting, Top-lighting, Energy savings, Tropical Climate

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Authors: Maryam Jamela Ismail, Rosdiazli Ibrahim, Idris Ismail

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In the oil and gas industry, energy prediction can help the distributor and customer to forecast the outgoing and incoming gas through the pipeline. It will also help to eliminate any uncertainties in gas metering for billing purposes. The objective of this paper is to develop Neural Network Model for energy consumption and analyze the performance model. This paper provides a comprehensive review on published research on the energy consumption prediction which focuses on structures and the parameters used in developing Neural Network models. This paper is then focused on the parameter selection of the neural network prediction model development for energy consumption and analysis on the result. The most reliable model that gives the most accurate result is proposed for the prediction. The result shows that the proposed neural network energy prediction model is able to demonstrate an adequate performance with least Root Mean Square Error.

Keywords: Energy Prediction, Multilayer Feedforward, Levenberg-Marquardt, Root Mean Square Error (RMSE)

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Authors: Worachat Wannawong, Usa W. Humphries, Prungchan Wongwises, Suphat Vongvisessomjai, Wiriya Lueangaram

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A numerical analysis of wave and hydrodynamic models is used to investigate the influence of WAve and Storm Surge (WASS) in the regional and coastal zones. The numerical analyzed system consists of the WAve Model Cycle 4 (WAMC4) and the Princeton Ocean Model (POM) which used to solve the energy balance and primitive equations respectively. The results of both models presented the incorporated surface wave in the regional zone affected the coastal storm surge zone. Specifically, the results indicated that the WASS generally under the approximation is not only the peak surge but also the coastal water level drop which can also cause substantial impact on the coastal environment. The wave–induced surface stress affected the storm surge can significantly improve storm surge prediction. Finally, the calibration of wave module according to the minimum error of the significant wave height (Hs) is not necessarily result in the optimum wave module in the WASS analyzed system for the WASS prediction.

Keywords: energy balance equation, numerical analysis, primitiveequation, storm surge, wave.

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Authors: R. C. J. Mphahlele, K. Bolton, H. Kasaini

Abstract:

Empirical force fields and density functional theory (DFT) was used to study the binding energies and structures of methylamine on the surface of activated carbons (ACs). This is a first step in studying the adsorption of alkyl amines on the surface of functionalized ACs. The force fields used were Dreiding (DFF), Universal (UFF) and Compass (CFF) models. The generalized gradient approximation with Perdew Wang 91 (PW91) functional was used for DFT calculations. In addition to obtaining the aminecarboxylic acid adsorption energies, the results were used to establish reliability of the empirical models for these systems. CFF predicted a binding energy of -9.227 (kcal/mol) which agreed with PW91 at - 13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72 (kcal/mol). However, the CFF binding energies for the amine to ester and ketone disagreed with PW91 results. The structures obtained from all models agreed with PW91 results.

Keywords: Activated Carbons, Binding energy, DFT, Force fields.

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