Search results for: equilibrium conversion
1905 Endeavor to Develop Immunological and Hematological Early Diagnostic Marker to Check the Conversion of Asymptomatic to Symptomatic Visceral Leishmaniasis
Authors: Roshan Kamal Topno, Maneesh Kumar, Manas Ranjan Dikhit, Krishna Pandey, Major Madhukar, Vidhya Nand Rabidas, Vahab Ali, Ganesh Chandra Sahoo, Bhawana, Devendra Prasad Yadav, Rishikesh Kumar, Pradeep Das
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A diagnostic marker for asymptomatic subject becomes a crucial need for advocating early prophylactic majors to control protozoal infection. The main issue in epidemiological affected regions is the presence of an asymptomatic individual that might potentially convert to a symptomatic visceral leishmaniasis (VL). The epidemiological study has been conducted at highly VL endemic Moriyama village in Patna district, Bihar, India that covers total population of 1540 individuals. Here, 1104(74.02%) people had been randomly screened and only 46 (4.17%) asymptomatic individuals were found sero-positive by the rK39 test. After taking signed informed consent form, blood samples were collected from 46 asymptomatic subjects for further hematological and immunological tests. Total leukocyte count, hemoglobin (gm%), neutrophil, lymphocyte, platelet count and interleukin-10 (IL-10) had been included as diagnostic markers. Interestingly only 5 (10.86%) individuals showed their asymptomatic conversion into symptomatic VL patients during quarterly surveillance. In overall analysis only two markers are suggestive for disease conversion that is hemoglobin (gm%) and IL-10. In all the infected patients, both the mean decrease in hemoglobin and mean increase of IL-10 was 19.23% from its normal value. The results might suggest that hematological and immunological changes would become helpful for early diagnosis of asymptomatic to symptomatic VL conversion.Keywords: asymptomatic, epidemiological, symptomatic visceral leishmaniasis, hemoglobin (gm%), interleukin-10, diagnosis
Procedia PDF Downloads 2091904 Methyl Red Dye Adsorption On PMMA/GO and PMMA/GO-Fe3O4 Nanocomposites: Equilibrium Isotherm Studies
Authors: Mostafa Rajabi, Kazem Mahanpoor
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Performances of the methyl red (MR) dye adsorption on poly(methyl methacrylate)/graphene oxide (PMMA/GO) and poly(methyl methacrylate)/graphene oxide-Fe3O4 (PMMA/GO-Fe3O4) nanocomposites as adsorbents were investigated. Our results showed that for adsorption of MR dye on PMMA/GO-Fe3O4 and PMMA/GO nanocomposites, 80 minutes, 298 K, and pH 2 were the best contact time, temperature and pH value for process, respectively, because the optimum adsorption of the MR dye with both nanocomposite adsorbents were observed in these values of the parameters. The equilibrium study results showed that PMMA/GO-Fe3O4 and PMMA/GO were suitable adsorbents for MR dye removing and were best in agreement with the Langmuir isotherm model.Keywords: adsorption, isotherm, methyl methacrylate, methyl red, nanocomposite, nano magnetic Fe3O4
Procedia PDF Downloads 1871903 Primal Instinct: Formation of Food Aversion
Authors: Zihuan (Dylan) Wang
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This paper analyzes the formation of human food aversion from a biological perspective. It points out that this biased behavior is formed through the accumulation of long-term survival and life experiences. By introducing the "Food Chain Energy Pyramid" model and the analogous deduction of the "Human Food Aversion Pyramid," with energy conversion efficiency as the primary reason, it analyzes the underlying reasons for the formation of food preferences. Food industry professionals can gain inspiration from this article to combine the theory presented with their expertise in order to leverage product quality and promote environmentally conscious practices.Keywords: food aversion, food preference, energy conversion efficiency, food and culture, nutrition, research and development
Procedia PDF Downloads 591902 Conversion from Catholicism to Islam in and out of Prison: A Comparative Study
Authors: Nerissa Gloria Balboa, Aire Yukdawan, Venice Gordula, Rhea Jannagen Curva
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This research examined the lived experiences and compared their similarities and differences of former Catholics turned Muslim converts in and out of prison. Qualitative comparative study with an Interpretative Phenomenological Analysis approach was used to explore the lives of Muslim converts. Interviews were conducted at Islamic Studies, Call and Guidance of the Philippines (ISCAG) and Tarbiyyah Islamic Female Institute for Muslim converts out of prison, New Bilibid Prison (NBP) and Correctional Institution for Women (CIW) for Muslim converts in prison. Results of the study show that first, for Muslim converts out of prison, exploration begins through (1) experiences of Catholicism as a norm in the family and eventual realization of its emptiness in practice, (2) experiences of Islam as a norm in the environment and discovery of meaningfulness of Islam (3) experiences of gradual holistic transformation of being a Muslim; and (4) experiences of extension of oneself towards family and society. Secondly, for Muslim converts in prison, exploration begins through (1) experiences of Apathy towards Catholicism and eventual deviation from moral standards, (2) experiences of prison condition as an environment of reflection on spirituality; and (3) experiences of positive effects of being a Muslim inside Prison. Comparisons show that there exists similarities and differences across the two settings in terms of (1) experiences of Catholicism and the degree of its internalization and actualization, (2) experiences of Islamic encounters and the process of conversion; and (3) experience of Islamic devotion and Islamic construct for the self. Theoretical bases of religious conversion found in unique contexts are discussed, initiating a paradigm shift of thinking that is needed to address the deeply rooted prejudices within Catholic and Islamic circles.Keywords: Catholicism, Islamic conversion, social psychology, religion
Procedia PDF Downloads 3981901 Preparation and Characterization of AlkylAmines’ Surface Functionalized Activated Carbons for Dye Removal
Authors: Said M. AL-Mashaikhi, El-Said I. El-Shafey, Fakhreldin O. Suliman, Saleh Al-Busafi
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Activated carbon (AC) was prepared from date palm leaflets via NaOH activation. AC was oxidized using nitric acid, producing oxidized activated carbon (OAC). OAC was surface functionalized using different amine surfactants, including methylamine (ONM), ethylamine (ONE), and diethylamine (ONDE) using the amide coupling process. Produced carbons were surface characterized for surface area and porosity, X-ray diffraction, SEM, FTIR, and TGA. AC surface area (580 m²/g) has shown a decrease in oxidation to 260 m²/g for OAC. On amine functionalization, the surface area has further decreased to 218, 108, and 20 m²/g on functionalization with methylamine, ethylamine, and diethylamine, respectively. FTIR and TGA showed that the nature of amine functionalization of AC is chemical. Methylene blue sorption was tested on these carbons in terms of kinetics and equilibrium. Sorption was found faster on amine-functionalized carbons than both AC and OAC, and this is due to hydrophobic interaction with the alkyl groups immobilized with data following pseudo second-order reaction. On the other hand, AC showed the slowest adsorption kinetic process due to the diffusion in the porous structure of AC. Sorption equilibrium data was found to follow the Langmuir sorption isotherm with maximum sorption found on ONE. Regardless of its lower surface area than activated carbon, ethylamine functionalized AC showed better performance than AC in terms of kinetics and equilibrium for dye removal.Keywords: activated carbon, dye removal, functionalization, hydrophobic interaction, water treatment
Procedia PDF Downloads 1661900 Experimental Quantification and Modeling of Dissolved Gas during Hydrate Crystallization: CO₂ Hydrate Case
Authors: Amokrane Boufares, Elise Provost, Veronique Osswald, Pascal Clain, Anthony Delahaye, Laurence Fournaison, Didier Dalmazzone
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Gas hydrates have long been considered as problematic for flow assurance in natural gas and oil transportation. On the other hand, they are now seen as future promising materials for various applications (i.e. desalination of seawater, natural gas and hydrogen storage, gas sequestration, gas combustion separation and cold storage and transport). Nonetheless, a better understanding of the crystallization mechanism of gas hydrate and of their formation kinetics is still needed for a better comprehension and control of the process. To that purpose, measuring the real-time evolution of the dissolved gas concentration in the aqueous phase during hydrate formation is required. In this work, CO₂ hydrates were formed in a stirred reactor equipped with an Attenuated Total Reflection (ATR) probe coupled to a Fourier Transform InfraRed (FTIR) spectroscopy analyzer. A method was first developed to continuously measure in-situ the CO₂ concentration in the liquid phase during solubilization, supersaturation, hydrate crystallization and dissociation steps. Thereafter, the measured concentration data were compared with those of equilibrium concentrations. It was observed that the equilibrium is instantly reached in the liquid phase due to the fast consumption of dissolved gas by the hydrate crystallization. Consequently, it was shown that hydrate crystallization kinetics is limited by the gas transfer at the gas-liquid interface. Finally, we noticed that the liquid-hydrate equilibrium during the hydrate crystallization is governed by the temperature of the experiment under the tested conditions.Keywords: gas hydrate, dissolved gas, crystallization, infrared spectroscopy
Procedia PDF Downloads 2821899 Mid-Temperature Methane-Based Chemical Looping Reforming for Hydrogen Production via Iron-Based Oxygen Carrier Particles
Authors: Yang Li, Mingkai Liu, Qiong Rao, Zhongrui Gai, Ying Pan, Hongguang Jin
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Hydrogen is an ideal and potential energy carrier due to its high energy efficiency and low pollution. An alternative and promising approach to hydrogen generation is the chemical looping steam reforming of methane (CL-SRM) over iron-based oxygen carriers. However, the process faces challenges such as high reaction temperature (>850 ℃) and low methane conversion. We demonstrate that Ni-mixed Fe-based oxygen carrier particles have significantly improved the methane conversion and hydrogen production rate in the range of 450-600 ℃ under atmospheric pressure. The effect on the reaction reactivity of oxygen carrier particles mixed with different Ni-based particle mass ratios has been determined in the continuous unit. More than 85% of methane conversion has been achieved at 600 ℃, and hydrogen can be produced in both reduction and oxidation steps. Moreover, the iron-based oxygen carrier particles exhibited good cyclic performance during 150 consecutive redox cycles at 600 ℃. The mid-temperature iron-based oxygen carrier particles, integrated with a moving-bed chemical looping system, might provide a powerful approach toward more efficient and scalable hydrogen production.Keywords: chemical looping, hydrogen production, mid-temperature, oxygen carrier particles
Procedia PDF Downloads 1421898 [Keynote Talk]: Analysis of Intelligent Based Fault Tolerant Capability System for Solar Photovoltaic Energy Conversion
Authors: Albert Alexander Stonier
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Due to the fossil fuel exhaustion and environmental pollution, renewable energy sources especially solar photovoltaic system plays a predominant role in providing energy to the consumers. It has been estimated that by 2050 the renewable energy sources will satisfy 50% of the total energy requirement of the world. In this context, the faults in the conversion process require a special attention which is considered as a major problem. A fault which remains even for a few seconds will cause undesirable effects to the system. The presentation comprises of the analysis, causes, effects and mitigation methods of various faults occurring in the entire solar photovoltaic energy conversion process. In order to overcome the faults in the system, an intelligent based artificial neural networks and fuzzy logic are proposed which can significantly mitigate the faults. Hence the presentation intends to find the problem in renewable energy and provides the possible solution to overcome it with simulation and experimental results. The work performed in a 3kWp solar photovoltaic plant whose results cites the improvement in reliability, availability, power quality and fault tolerant ability.Keywords: solar photovoltaic, power electronics, power quality, PWM
Procedia PDF Downloads 2801897 Modelling and Simulating CO2 Electro-Reduction to Formic Acid Using Microfluidic Electrolytic Cells: The Influence of Bi-Sn Catalyst and 1-Ethyl-3-Methyl Imidazolium Tetra-Fluoroborate Electrolyte on Cell Performance
Authors: Akan C. Offong, E. J. Anthony, Vasilije Manovic
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A modified steady-state numerical model is developed for the electrochemical reduction of CO2 to formic acid. The numerical model achieves a CD (current density) (~60 mA/cm2), FE-faradaic efficiency (~98%) and conversion (~80%) for CO2 electro-reduction to formic acid in a microfluidic cell. The model integrates charge and species transport, mass conservation, and momentum with electrochemistry. Specifically, the influences of Bi-Sn based nanoparticle catalyst (on the cathode surface) at different mole fractions and 1-ethyl-3-methyl imidazolium tetra-fluoroborate ([EMIM][BF4]) electrolyte, on CD, FE and CO2 conversion to formic acid is studied. The reaction is carried out at a constant concentration of electrolyte (85% v/v., [EMIM][BF4]). Based on the mass transfer characteristics analysis (concentration contours), mole ratio 0.5:0.5 Bi-Sn catalyst displays the highest CO2 mole consumption in the cathode gas channel. After validating with experimental data (polarisation curves) from literature, extensive simulations reveal performance measure: CD, FE and CO2 conversion. Increasing the negative cathode potential increases the current densities for both formic acid and H2 formations. However, H2 formations are minimal as a result of insufficient hydrogen ions in the ionic liquid electrolyte. Moreover, the limited hydrogen ions have a negative effect on formic acid CD. As CO2 flow rate increases, CD, FE and CO2 conversion increases.Keywords: carbon dioxide, electro-chemical reduction, ionic liquids, microfluidics, modelling
Procedia PDF Downloads 1461896 Multiscale Computational Approach to Enhance the Understanding, Design and Development of CO₂ Catalytic Conversion Technologies
Authors: Agnieszka S. Dzielendziak, Lindsay-Marie Armstrong, Matthew E. Potter, Robert Raja, Pier J. A. Sazio
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Reducing carbon dioxide, CO₂, is one of the greatest global challenges. Conversion of CO₂ for utilisation across synthetic fuel, pharmaceutical, and agrochemical industries offers a promising option, yet requires significant research to understanding the complex multiscale processes involved. To experimentally understand and optimize such processes at that catalytic sites and exploring the impact of the process at reactor scale, is too expensive. Computational methods offer significant insight and flexibility but require a more detailed multi-scale approach which is a significant challenge in itself. This work introduces a computational approach which incorporates detailed catalytic models, taken from experimental investigations, into a larger-scale computational flow dynamics framework. The reactor-scale species transport approach is modified near the catalytic walls to determine the influence of catalytic clustering regions. This coupling approach enables more accurate modelling of velocity, pressures, temperatures, species concentrations and near-wall surface characteristics which will ultimately enable the impact of overall reactor design on chemical conversion performance.Keywords: catalysis, CCU, CO₂, multi-scale model
Procedia PDF Downloads 2531895 Design and Development of Wind Turbine Emulator to Operate with 1.5 kW Induction Generator
Authors: Himani Ratna Dahiya
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This paper contributes to design a Wind Emulator coupled to 1.5 kW Induction generator for Wind Energy Conversion System. A wind turbine emulator (WTE) is important equipment for developing wind energy conversion systems. It offers a controllable test environment that allows the evaluation and improvement of control schemes for electric generators that is hard to achieve with an actual wind turbine since the wind speed varies randomly. In this paper a wind emulator is modeled and simulated using MATLAB. Verification of the simulation results is done by experimental setup using DC motor-Induction generator set, LABVIEW and data acquisition card.Keywords: Wind Turbine Emulator, LABVIEW, matlab, induction generator
Procedia PDF Downloads 5901894 Adsorption of Congo Red on MgO Nanoparticles Prepared by Molten Salt Method
Authors: Shahbaa F. Bdewi, Bakhtyar K. Aziz, Ayad A. R. Mutar
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Nano-materials show different surface properties due to their high surface area and active sites. This study investigates the feasibility of using nano-MgO (NMO) for removing Congo red (CR) dye from wastewater. NMO was prepared by molten salt method. Equilibrium experiments show the equilibrium was reached after 120 minutes and maximum adsorption efficiency was obtained in acidic media up to pH 6. Isotherm studies revealed the favorability of the adsorption process. The overall adsorption process was spontaneous and endothermic in nature with a maximum adsorption capacity of 1100 mg g-1 at 40°C as estimated from Langmuir isotherm. The adsorption kinetics was found to follow pseudo second-order rate equation. Relatively high activation energy (180.7 kJ mol-1) was obtained which is consistent with chemisorption mechanism for the adsorption process.Keywords: adsorption, congo red, magnesium oxide, nanoparticles
Procedia PDF Downloads 2091893 Economic Stability in a Small Open Economy with Income Effect on Leisure Demand
Authors: Yu-Shan Hsu
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This paper studies a two-sector growth model with a technology of social constant returns and with a utility that features either a zero or a positive income effect on the demand for leisure. The purpose is to investigate how the existence of aggregate instability or equilibrium indeterminacy depends on both the intensity of the income effect on the demand for leisure and the value of the labor supply elasticity. The main finding is that when there is a factor intensity reversal between the private perspective and the social perspective, indeterminacy arises even if the utility has a positive income effect on leisure demand. Moreover, we find that a smaller value of the labor supply elasticity increases the range of the income effect on leisure demand and thus increases the possibility of equilibrium indeterminacy. JEL classification: E3; O41Keywords: indeterminacy, non-separable preferences, income effect, labor supply elasticity
Procedia PDF Downloads 1771892 Destruction of Coastal Wetlands in Harper City-Liberia: Setting Nature against the Future Society
Authors: Richard Adu Antwako
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Coastal wetland destruction and its consequences have recently taken the center stage of global discussions. This phenomenon is no gray area to humanity as coastal wetland-human interaction seems inevitably ingrained in the earliest civilizations, amidst the demanding use of its resources to meet their necessities. The severity of coastal wetland destruction parallels with growing civilizations, and it is against this backdrop that, this paper interrogated the causes of coastal wetland destruction in Harper City in Liberia, compared the degree of coastal wetland stressors to the non-equilibrium thermodynamic scale as well as suggested an integrated coastal zone management to address the problems. Literature complemented the primary data gleaned via global positioning system devices, field observation, questionnaire, and interviews. Multi-sampling techniques were used to generate data from the sand miners, institutional heads, fisherfolk, community-based groups, and other stakeholders. Non-equilibrium thermodynamic theory remains vibrant in discerning the ecological stability, and it would be employed to further understand the coastal wetland destruction in Harper City, Liberia and to measure the coastal wetland stresses-amplitude and elasticity. The non-equilibrium thermodynamics postulates that the coastal wetlands are capable of assimilating resources (inputs), as well as discharging products (outputs). However, the input-output relationship exceedingly stretches beyond the thresholds of the coastal wetlands, leading to coastal wetland disequilibrium. Findings revealed that the sand mining, mangrove removal, and crude dumping have transformed the coastal wetlands, resulting in water pollution, flooding, habitat loss and disfigured beaches in Harper City in Liberia. This paper demonstrates that the coastal wetlands are converted into developmental projects and agricultural fields, thus, endangering the future society against nature.Keywords: amplitude, crude dumping, elasticity, non-equilibrium thermodynamics, wetland destruction
Procedia PDF Downloads 1411891 Conversion of Tropical Wood to Bio-oil and Charcoal by Using the Process of Pyrolysis
Authors: Kittiphop Promdee, Somruedee Satitkune, Chakkrich Boonmee, Tharapong Vitidsant
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Conversion of tropical wood using the process of pyrolysis, which converts tropical wood into fuel products, i.e. bio-oil and charcoal. The results showed the high thermal in the reactor core was thermally controlled between 0-600°C within 60 minutes. The products yield calculation showed that the liquid yield obtained from tropical wood was at its highest at 39.42 %, at 600°C, indicating that the tropical wood had received good yields because of a low gas yield average and high solid and liquid yield average. This research is not only concerned with the controlled temperatures, but also with the controlled screw rotating and feeding rate of biomass.Keywords: pyrolysis, tropical wood, bio-oil, charcoal, heating value, SEM
Procedia PDF Downloads 4801890 Energy-Dense and High-Power Li-Cl₂/I₂ Batteries by Reversible Chemical Bonds
Authors: Pei Li, Chunyi Zhi
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Conversion-type lithium-ion batteries show great potential as high-energy-density, low-cost and sustainable alternatives to current transition-metal-based intercalation cells. Li-Cl₂/Li⁻I₂ conversion batteries, based on anionic redox reactions of Cl⁻/Cl⁰ or I⁻/I⁰, are highly attractive due to their superior voltage and capacity. However, a redox-active and reversible chlorine cathode has not been developed in organic electrolytes. And thermodynamic instability and shuttling issues of iodine cathodes have plagued the active iodine loading, capacity retention and cyclability. By reversible chemical bonds, we develop reversible chlorine redox reactions in organic electrolytes with interhalogen bonds between I and Cl for Li-I₂ batteries and develop a highly thermally stable I/I₃--bonded organic salts with iodine content up to 80% as cathode materials for the rechargeable Li-I₂ batteries. The demonstration of reversible chemical bonds enabled rechargeable Li-halogen batteries opens a new avenue to develop halogen compound cathodes.Keywords: conversion-type, chlorine, halogen cathode, high energy density, iodine, interhalogen bond, lithium-ion batteries
Procedia PDF Downloads 841889 Photo-Enhanced Catalytic Dry Reforming of Methane on Ni@SiO2 with High Resistance to Carbon
Authors: Jinrui Zhang, Tianlong Yang, Ying Pan
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Methane and carbon dioxide are major greenhouse gases contributor. CO₂ dry reforming of methane (DRM) for syngas production is a promising approach to reducing global CO₂ emission and extensive utilization of natural gas. However, the reported catalysts endured rapid deactivation due to severe carbon deposition at high temperature. Here, CO₂ reduction by CH4 on hexagonal nano-nickel flakes packed by porous SiO₂ (Ni@SiO₂) catalysts driven by thermal and solar light are tested. High resistance to carbon deposition and higher reactive activity are demonstrated under focused solar light at moderate temperature (400-500 ℃). Furthermore, the photocatalytic DRM under different wavelength is investigated, and even IR irradiation can enhance the catalytic activity. The mechanism of light-enhanced reaction reactivity and equilibrium is investigated by Infrared and Raman spectroscopy, and the unique reaction pathway with light is depicted. The photo-enhanced DRM provides a promising method of renewable solar energy conversion and CO₂ emission reduction due to the excellent activity and durability.Keywords: CO₂ emission reduction, methane, photocatalytic DRM, resistance to carbon deposition, syngas
Procedia PDF Downloads 1141888 Scale Up-Mechanochemical Synthesis of High Surface Area Alpha-Alumina
Authors: Sarah Triller, Ferdi Schüth
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The challenges encountered in upscaling the mechanochemical synthesis of high surface area α-alumina are investigated in this study. After lab-scale experiments in shaker mills and planetary ball mills, the optimization of reaction parameters of the conversion in the smallest vessel of a scalable mill, named Simoloyer, was developed. Furthermore, the future perspectives by scaling up the conversion in several steps are described. Since abrasion from the steel equipment can be problematic, the process was transferred to a ceramically lined mill, which solved the contamination problem. The recovered alpha-alumina shows a high specific surface area in all investigated scales.Keywords: mechanochemistry, scale-up, ball milling, ceramic lining
Procedia PDF Downloads 661887 Prime Mover Sizing for Base-Loaded Combined Heating and Power Systems
Authors: Djalal Boualili
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This article considers the problem of sizing prime movers for combined heating and power (CHP) systems operating at full load to satisfy a fraction of a facility's electric load, i.e. a base load. Prime mover sizing is examined using three criteria: operational cost, carbon dioxide emissions (CDE), and primary energy consumption (PEC). The sizing process leads to consider ratios of conversion factors applied to imported electricity to conversion factors applied to fuel consumed. These ratios are labelled RCost, R CDE, R PEC depending on whether the conversion factors are associated with operational cost, CDE, or PEC, respectively. Analytical results show that in order to achieve savings in operational cost, CDE, or PEC, the ratios must be larger than a unique constant R Min that only depends on the CHP components efficiencies. Savings in operational cost, CDE, or PEC due to CHP operation are explicitly formulated using simple equations. This facilitates the process of comparing the tradeoffs of optimizing the savings of one criterion over the other two – a task that has traditionally been accomplished through computer simulations. A hospital building, located in Chlef, Algeria, was used as an example to apply the methodology presented in this article.Keywords: sizing, heating and power, ratios, energy consumption, carbon dioxide emissions
Procedia PDF Downloads 2291886 Characterization of Carbon Dioxide-Rich Flue Gas Sources for Conversion to Chemicals and Fuels
Authors: Adesola Orimoloye, Edward Gobina
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Flue gas is the most prevalent source of carbon dioxide off-gas from numerous processes globally. Among the lion's share of this flue gas is the ever - present electric power plant, primarily fuelled by coal, and then secondly, natural gas. The carbon dioxide found in coal fired power plant off gas is among the dirtiest forms of carbon dioxide, even with many of the improvements in the plants; still this will yield sulphur and nitrogen compounds; among other rather nasty compounds and elements; all let to the atmosphere. This presentation will focus on the characterization of carbon dioxide-rich flue gas sources with a view of eventual conversion to chemicals and fuels using novel membrane reactors.Keywords: Flue gas, carbon dioxide, membrane, catalyst, syngas
Procedia PDF Downloads 6741885 First Principle-Based Dft and Microkinetic Simulation of Co-Conversion of Carbon Dioxide and Methane on Single Iridium Atom Doped Hematite with Surface Oxygen Defect
Authors: Kefale W. Yizengaw, Delele Worku Ayele, Jyh-Chiang Jiang
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The catalytic co-conversion of CO₂ and CH₄ to value-added compounds has become one of the promising approaches to addressing global climate change by having valuable fossil fuels. Thedirect co-conversion of CO₂ and CH₄ to value-added compounds is attractive but tremendously challenging because of both molecules' thermodynamic stability and kinetic inertness. In the present study, a single iridium atom doped and a single oxygen atom defect hematite (110)surface model catalyst, which can comprehend direct C–O coupling based on simultaneous activation of CO2 and CH4 was studied using density functional theory plus U (DFT + U)calculations. The presence of dual active sites on the Ir/Fe₂O₃(110)-OV surface catalyst enablesCO₂ activation on the Ir site and CH₄ activation at the defect site. The electron analysis for the theco-adsorption of CO₂ and CH₄ deals with the electron redistribution on the surface and clearly shows the synergistic effect for simultaneous CO₂ and CH₄ activation on Ir/α- Fe₂O₃(110)-OVsurface. The microkinetic analysis shows that the dissociation of CH4 to CH3 * and H* plays an excellent role in the C–O coupling. The coverage analysis for the intermediate products of the microkinetic simulation results indicates that C–O coupling is the reaction limiting step. Finally, after the CH₃O* intermediate product species is produced, the radical hydrogen species spontaneously diffuse to the CH3O* intermediate product to form methanol at around 490 [K]. The present work provides mechanistic and kinetic insights into the direct C–O coupling of CO₂and CH₄, which could help design more-efficient catalysts.Keywords: co-conversion, C–O coupling, doping, oxygen vacancy, microkinetic
Procedia PDF Downloads 1151884 Physics-Informed Machine Learning for Displacement Estimation in Solid Mechanics Problem
Authors: Feng Yang
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Machine learning (ML), especially deep learning (DL), has been extensively applied to many applications in recently years and gained great success in solving different problems, including scientific problems. However, conventional ML/DL methodologies are purely data-driven which have the limitations, such as need of ample amount of labelled training data, lack of consistency to physical principles, and lack of generalizability to new problems/domains. Recently, there is a growing consensus that ML models need to further take advantage of prior knowledge to deal with these limitations. Physics-informed machine learning, aiming at integration of physics/domain knowledge into ML, has been recognized as an emerging area of research, especially in the recent 2 to 3 years. In this work, physics-informed ML, specifically physics-informed neural network (NN), is employed and implemented to estimate the displacements at x, y, z directions in a solid mechanics problem that is controlled by equilibrium equations with boundary conditions. By incorporating the physics (i.e. the equilibrium equations) into the learning process of NN, it is showed that the NN can be trained very efficiently with a small set of labelled training data. Experiments with different settings of the NN model and the amount of labelled training data were conducted, and the results show that very high accuracy can be achieved in fulfilling the equilibrium equations as well as in predicting the displacements, e.g. in setting the overall displacement of 0.1, a root mean square error (RMSE) of 2.09 × 10−4 was achieved.Keywords: deep learning, neural network, physics-informed machine learning, solid mechanics
Procedia PDF Downloads 1501883 Synthesis of Pyrimidine-Based Polymers Consist of 2-{4-[4,6-Bis-(4-Hexyl-Thiophen-2-yl)-Pyrimidin-2-yl]-Phenyl}-Thiazolo[5,4-B]Pyridine with Deep HOMO Level for Photovoltaics
Authors: Hyehyeon Lee, Jiwon Yu, Juwon Kim, Raquel Kristina Leoni Tumiar, Taewon Kim, Juae Kim, Hongsuk Suh
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Photovoltaics, which have many advantages in cost, easy processing, and light-weight, have attracted attention. We synthesized pyrimidine-based conjugated polymers with 2-{4-[4,6-bis-(4-hexyl-thiophen-2-yl)-pyrimidin-2-yl]-phenyl}-thiazolo[5,4-b]pyridine (pPTP) which have an ability of powerful electron withdrawing and introduced into the PSCs. By Stille polymerization, we designed the conjugated polymers, pPTPBDT-12, pPTPBDT-EH, pPTPBDTT-EH and pPTPTTI. The HOMO energy levels of four polymers (pPTPBDT-12, pPTPBDT-EH, pPTPBDTT-EH and pPTPTTI) were at -5.61 ~ -5.89 eV, their LUMO (Lowest Unoccupied Molecular Orbital) energy levels were at -3.95 ~ -4.09 eV. The device including pPTPBDT-12 and PC71BM (1:2) indicated a V_oc of 0.67 V, a J_sc of 1.33 mA/cm², and a fill factor (FF) of 0.25, giving a power conversion efficiency (PCE) of 0.23%. The device including pPTPBDT-EH and PC71BM (1:2) indicated a V_oc of 0.72 V, a J_sc of 2.56 mA/cm², and a fill factor (FF) of 0.30, giving a power conversion efficiency of 0.56%. The device including pPTPBDTT-EH and PC71BM (1:2) indicated a V_oc of 0.72 V, a J_sc of 3.61 mA/cm², and a fill factor (FF) of 0.29, giving a power conversion efficiency of 0.74%. The device including pPTPTTI and PC71BM (1:2) indicated a V_oc of 0.83 V, a J_sc of 4.41 mA/cm², and a fill factor (FF) of 0.31, giving a power conversion efficiency of 1.13%. Therefore, pPTPBDT-12, pPTPBDT-EH, pPTPBDTT-EH, and pPTPTTI were synthesized by Stille polymerization. And We find one of the best efficiency for these polymers, called pPTPTTI. Their optical properties were measured and the results show that pyrimidine-based polymers especially like pPTPTTI have a great promise to act as the donor of the active layer.Keywords: polymer solar cells, pyrimidine-based polymers, photovoltaics, conjugated polymer
Procedia PDF Downloads 1981882 Catalytic Study of Methanol-to-Propylene Conversion over Nano-Sized HZSM-5
Authors: Jianwen Li, Hongfang Ma, Weixin Qian, Haitao Zhang, Weiyong Ying
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Methanol-to-propylene conversion was carried out in a continuous-flow fixed-bed reactor over nano-sized HZSM-5 zeolites. The HZSM-5 catalysts were synthesized with different Si/Al ratio and silicon sources, and treated with NaOH. The structural property, morphology, and acidity of catalysts were measured by XRD, N2 adsorption, FE-SEM, TEM, and NH3-TPD. The results indicate that the increment of Si/Al ratio decreased the acidity of catalysts and then improved propylene selectivity, while silicon sources had slight impact on the acidity but affected the product distribution. The desilication after alkali treatment could increase intracrystalline mesopores and enhance propylene selectivity.Keywords: alkali treatment, HZSM-5, methanol-to-propylene, synthesis condition
Procedia PDF Downloads 2171881 Direct Transient Stability Assessment of Stressed Power Systems
Authors: E. Popov, N. Yorino, Y. Zoka, Y. Sasaki, H. Sugihara
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This paper discusses the performance of critical trajectory method (CTrj) for power system transient stability analysis under various loading settings and heavy fault condition. The method obtains Controlling Unstable Equilibrium Point (CUEP) which is essential for estimation of power system stability margins. The CUEP is computed by applying the CTrjto the boundary controlling unstable equilibrium point (BCU) method. The Proposed method computes a trajectory on the stability boundary that starts from the exit point and reaches CUEP under certain assumptions. The robustness and effectiveness of the method are demonstrated via six power system models and five loading conditions. As benchmark is used conventional simulation method whereas the performance is compared with and BCU Shadowing method.Keywords: power system, transient stability, critical trajectory method, energy function method
Procedia PDF Downloads 3861880 Theoretical Analysis of Graded Interface CdS/CIGS Solar Cell
Authors: Hassane Ben Slimane, Dennai Benmoussa, Abderrachid Helmaoui
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We have theoretically calculated the photovoltaic conversion efficiency of a graded interface CdS/CIGS solar cell, which can be experimentally fabricated. Because the conduction band discontinuity or spike in an abrupt heterojunction CdS/CIGS solar cell can hinder the separation of hole-electron by electric field, a graded interface layer is uses to eliminate the spike and reduces recombination in space charge region. This paper describes the role of the graded band gap interface layer in decreasing the performance of the heterojunction cell. By optimizing the thickness of the graded region, an improvement of conversion efficiency has been observed in comparison to the conventional CIGS system.Keywords: heterojunction, solar cell, graded interface, CIGS
Procedia PDF Downloads 4021879 Time Integrated Measurements of Radon and Thoron Progeny Concentration in Various Dwellings of Bathinda District of Punjab Using Deposition Based Progeny Sensors
Authors: Kirandeep Kaur, Rohit Mehra, Pargin Bangotra
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Radon and thoron are pervasive radioactive gases and so are their progenies. The progenies of radon and thoron are present in the indoor atmosphere as attached/unattached fractions. In the present work, seasonal variation of concentration of attached and total (attached + unattached) nanosized decay products of indoor radon and thoron has been studied in the dwellings of Bathinda District of Punjab using Deposition based progeny sensors over long integrated times, which are independent of air turbulence. The preliminary results of these measurements are reported particularly regarding DTPS (Direct Thoron Progeny Sensor) and DRPS (Direct Radon Progeny Sensor) for the first time in Bathinda. It has been observed that there is a strong linear relationship in total EERC (Equilibrium Equivalent Radon Concentration) and EETC (Equilibrium Equivalent Thoron Concentration) in rainy season (R2 = 0.83). Further a strong linear relation between total indoor radon concentration and attached fraction has also been observed for the same rainy season (R2= 0.91). The concentration of attached progeny of radon (EERCatt) is 76.3 % of the total Equilibrium Equivalent Radon Concentration (EERC).Keywords: radon, thoron, progeny, DTPS/DRPS, EERC, EETC, seasonal variation
Procedia PDF Downloads 4171878 Global Analysis in a Growth Economic Model with Perfect-Substitution Technologies
Authors: Paolo Russu
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The purpose of the present paper is to highlight some features of an economic growth model with environmental negative externalities, giving rise to a three-dimensional dynamic system. In particular, we show that the economy, which is based on a Perfect-Substitution Technologies function of production, has no neither indeterminacy nor poverty trap. This implies that equilibrium select by economy depends on the history (initial values of state variable) of the economy rather than on expectations of economies agents. Moreover, by contrast, we prove that the basin of attraction of locally equilibrium points may be very large, as they can extend up to the boundary of the system phase space. The infinite-horizon optimal control problem has the purpose of maximizing the representative agent’s instantaneous utility function depending on leisure and consumption.Keywords: Hopf bifurcation, open-access natural resources, optimal control, perfect-substitution technologies, Poincarè compactification
Procedia PDF Downloads 1721877 On the Influence of Thermal Radiation Upon Heat Transfer Characteristics of a Porous Media Under Local Thermal Non-Equilibrium Condition
Authors: Yasser Mahmoudi, Nader Karimi
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The present work investigates numerically the effect of thermal radiation from the solid phase on the rate of heat transfer inside a porous medium. Forced convection heat transfer process within a pipe filled with a porous media is considered. The Darcy-Brinkman-Forchheimer model is utilized to represent the fluid transport within the porous medium. A local thermal non-equilibrium (LTNE), two-equation model is used to represent the energy transport for the solid and fluid phases. The radiative heat transfer equation is solved by discrete ordinate method (DOM) to compute the radiative heat flux in the porous medium. Two primary approaches (models A and B) are used to represent the boundary conditions for constant wall heat flux. The effects of radiative heat transfer on the Nusselt numbers of the two phases are examined by comparing the results obtained by the application of models A and B. The fluid Nusselt numbers calculated by the application of models A and B show that the Nusselt number obtained by model A for the radiative case is higher than those predicted for the non-radiative case. However, for model B the fluid Nusselt numbers obtained for the radiative and non-radiative cases are similar.Keywords: porous media, local thermal non-equilibrium, forced convection heat transfer, thermal radiation, Discrete Ordinate Method (DOM)
Procedia PDF Downloads 3241876 Experimental Study of the Modifications of the Bed of a River under Extreme Flow Conditions
Authors: A. Ghenaim, A. Terfous
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In this work, degradation phenomena in fluvial beds having uniform sediments are explored experimentally under extreme flow conditions. Laboratory experiments were conducted in a rectangular cross-section channel for different flow conditions, channel characteristics, and sediment properties at the National Institute of Applied Sciences (Strasbourg, France). Tests were carried out in two conditions: (1) equilibrium condition, where, once the steady and uniform flow conditions were achieved for a given slope and discharge, the channel was fed with variable sediment discharges until the bed-load sediment transport achieved an equilibrium condition; and (2) nonequilibrium condition, where the sediment feeding was instantaneously stopped, and the bed levels were measured over time. Experimental results enabled assessing the erosion rates and determining the empirical mathematical model to predict the bed level changes.Keywords: fluvial beds, sediment, uniform flow conditions, nonequilibrium condition, sediment disposition, erosion
Procedia PDF Downloads 94