Search results for: chemical reactive transport process

Authors: Medani Khaled Ben Oualid

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Most of researchers solved and analyzed the ORPD problem in the normal conditions. However, network collapses appear in contingency conditions. In this paper, ORPD under several contingencies is presented using the proposed method WOA. To ensure viability of the power system in contingency conditions, several critical cases are simulated in order to prevent and prepare the power system to face such situations. The results obtained are carried out in IEEE 30 bus test system for the solution of ORPD problem in which control of bus voltages, tap position of transformers and reactive power sources are involved. Moreover, another method, namely, Particle Swarm Optimization with Time Varying Acceleration Coefficient (PSO-TVAC) has been compared with the proposed technique. Simulation results indicate that the proposed WOA gives remarkable solution in terms of effectiveness in case of outages.

Keywords: optimal reactive power dispatch, metaheuristic techniques, whale optimization algorithm, real power loss minimization, contingency conditions

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Authors: Paola Quintana, Angélica Vaca, Sebastián Villacres, Henry Acurio

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Ecuador through the Organic Law of Energy Efficiency establishes that "Starting in the year 2025, all vehicles that are incorporated into the urban and inter-parroquial public transport service must only be electric”, this marks a foundation for the introduction of electric mobility in the country. The present investigation is based on developing an analysis and projection of the Energy Required for the incorporation of electric buses for public passenger transport in the city of Ambato-Ecuador, taking into account the useful life of the vehicle fleet, number of existing vehicles and analysis of transport routes in the study city. The energy demand based on the vehicular dynamics is analyzed, determination of equations for the calculation of force in the wheel since it is considered a variable of slope due to the fact that this has a great incidence in the autonomy when speaking of electric mobility, later the energy analysis applied to public transport routes, finally a projection of the energy requirement is made based on the change of public transport units according to their useful life.

Keywords: public transport, electric mobility, energy, ecuador

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Authors: Umut Çınar

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The fact that ozone gas has color bleaching properties has made the use of ozone gas widespread in the textile sector as well as in many other sectors. Ozone gas, which is a strong oxidative agent on the fabric, causes the paint on the fabric to wear off and lighten its color with an aged appearance. Within the scope of this thesis, parameters affecting the bleaching properties of ozone gas on reactive dyed knitted fabric, which is rare in the literature, were investigated. Ozone concentration, time, and pH values were analyzed with the Box Behnken experimental design method, and optimum conditions were determined. After the experiments, wear and opacity values were measured with the help of a spectrophotometer. With the help of the Design Expert program, the graphics related to the data were prepared and interpreted with Box Behnken and ANOVA. These experiments on reactive dyed knitted fabric were tested on these parameters, and the spectrophotometric values of the fabric and optimum parameters in abrasion and opacity were revealed.

Keywords: ozone, reactive dye, bleaching, textile, garment wash, sustainability, washing, Box–Behnken, experimental design

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Authors: P. Gomathi Priya, M. E. Thenmozhi

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Iron nanoparticles were used to cleanup effluents. This paper involves synthesis of iron nanoparticles chemically by sodium borohydride reduction of ammonium ferrous sulfate solution (FAS). Iron oxide nanoparticles have lesser efficiency of adsorption than Zero Valent Iron nanoparticles (nZVI). Glucosamine acts as a stabilizing agent and chelating agent to prevent Iron nanoparticles from oxidation. nZVI particles were characterized using Scanning Electron Microscopy (SEM). Thus, the synthesized nZVI was subjected to entrapment in biopolymer, viz. barium (Ba)-alginate beads. The beads were characterized using SEM. Batch dye degradation studies were conducted using Reactive black Water soluble Nontoxic Natural substances (WNN) dye which is one of the most hazardous dyes used in textile industries. Effect of contact time, effect of pH, initial dye concentration, adsorbent dosage, isotherm and kinetic studies were carried out.

Keywords: ammonium ferrous sulfate solution, barium, alginate beads, reactive black WNN dye, zero valent iron nanoparticles

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Authors: Zhanar Imanova

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Masses of real celestial bodies change anisotropically and reactive forces appear, and they need to be taken into account in the study of these bodies' dynamics. We studied the two-planet problem of three bodies with variable masses in the presence of reactive forces and obtained the equations of perturbed motion in Newton’s form equations. The motion equations in the orbital coordinate system, unlike the Lagrange equation, are convenient for taking into account the reactive forces. The perturbing force is expanded in terms of osculating elements. The expansion of perturbing functions is a time-consuming analytical calculation and results in very cumber some analytical expressions. In the considered problem, we obtained expansions of perturbing functions by small parameters up to and including the second degree. In the non resonant case, we obtained evolution equations in the Newton equation form. All symbolic calculations were done in Wolfram Mathematica.

Keywords: two-planet, three-body problem, variable mass, evolutionary equations

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Authors: N. R. Badurally Adam, S. R. Monebhurrun, M. Z. Dauhoo, A. Khoodaruth

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Transport energy demand is vital for the economic growth of any country. Globalisation and better standard of living plays an important role in transport energy demand. Recently, transport energy demand in Mauritius has increased significantly, thus leading to an abuse of natural resources and thereby contributing to global warming. Forecasting the transport energy demand is therefore important for controlling and managing the demand. In this paper, we develop a model to predict the transport energy demand. The model developed is based on a system of five stochastic differential equations (SDEs) consisting of five endogenous variables: fuel price, population, gross domestic product (GDP), number of vehicles and transport energy demand and three exogenous parameters: crude birth rate, crude death rate and labour force. An interval of seven years is used to avoid any falsification of result since Mauritius is a developing country. Data available for Mauritius from year 2003 up to 2009 are used to obtain the values of design variables by applying genetic algorithm. The model is verified and validated for 2010 to 2012 by substituting the values of coefficients obtained by GA in the model and using particle swarm optimisation (PSO) to predict the values of the exogenous parameters. This model will help to control the transport energy demand in Mauritius which will in turn foster Mauritius towards a pollution-free country and decrease our dependence on fossil fuels.

Keywords: genetic algorithm, modeling, particle swarm optimization, stochastic differential equations, transport energy demand

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Authors: Jiajun Duan, Yang Li, Jianan Gao, Runzi Cao, Enxiang Shang, Wen Zhang

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Reactive oxygen species (ROS) generation is considered as an important photoaging mechanism of microplastics (MPs) and nanoplastics (NPs). To elucidate the ROS-induced MP/NP aging processes in water under UV365 irradiation, we examined the effects of surface coatings, polymer types, and grain sizes on ROS generation and photoaging intermediates. Bare polystyrene (PS) NPs generated hydroxyl radicals (•OH) and singlet oxygen (¹O₂), while coated PS NPs (carboxyl-modified PS (PS-COOH), amino-modified PS (PS-NH₂)) and PS MPs generated fewer ROS due to coating scavenging or size effects. Polypropylene, polyethylene, polyvinyl chloride, polyethylene terephthalate, and polycarbonate MPs only generated •OH. For aromatic polymers, •OH addition preferentially occurred at benzene rings to form monohydroxy polymers. Excess •OH resulted in H abstraction, C-C scission, and phenyl ring opening to generate aliphatic ketones, esters, aldehydes, and aromatic ketones. For coated PS NPs, •OH preferentially attacked the surface coatings to result in decarboxylation and deamination reactions. For aliphatic polymers, •OH attack resulted in the formation of carbonyl groups from peracid, aldehyde, or ketone via H abstraction and C-C scission. Moreover, ¹O₂ might participate in phenyl ring opening for PS NPs and coating degradation for coated PS NPs. This study facilitates understanding the ROS-induced weathering process of NPs/MPs in water under UV irradiation.

Keywords: microplastics, nanoplastics, photoaging, reactive oxygen species, surface coating

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Authors: Dimitrios J. Dimitriou

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Considering a worldwide tendency, air transports are growing very fast and many changes have taken place in planning, management and decision making process. Given the complexity of airport operation, the best use of existing capacity is the key driver of efficiency and productivity. This paper deals with the evaluation framework for the ground access at airports, by using a set of mode choice indicators providing key messages towards airport’s ground access performance. The application presents results for a sample of 12 European airports, illustrating recommendations to define policy and improve service for the air transport access chain.

Keywords: airport ground access, air transport chain, airport access performance, airport policy

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Authors: Y. Ates, A. R. Boynuegri, M. Uzunoglu, A. Karakas

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The recent interest in alternative and renewable energy systems results in increased installed capacity ratio of such systems in total energy production of the world. Specifically, wind energy conversion systems (WECS) draw significant attention among possible alternative energy options, recently. On the contrary of the positive points of penetrating WECS in all over the world in terms of environment protection, energy independence of the countries, etc., there are significant problems to be solved for the grid connection of large scale WECS. The reactive power regulation, voltage variation suppression, etc. can be presented as major issues to be considered in this regard. Thus, this paper evaluates the application of a Static VAr Compensator (SVC) unit for the reactive power regulation and operation continuity of WECS during a fault condition. The system is modeled employing the IEEE 13 node test system. Thus, it is possible to evaluate the system performance with an overall grid simulation model close to real grid systems. The overall simulation model is developed in MATLAB/Simulink/SimPowerSystems® environments and the obtained results effectively match the target of the provided study.

Keywords: IEEE 13 bus distribution system, reactive power regulation, static VAr compensator, wind energy conversion system

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Authors: W. Jahouach-Rabai, J. Aribi, Z. Azzouz-Berriche, R. Lahsni, F. Hosni

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Gamma irradiation applied in removing pharmaceutical contaminants from wastewater is an effective advanced oxidation process (AOP), considered as an alternative to conventional water treatment technologies. In this purpose, the degradation efficiency of several detected contaminants under gamma irradiation was evaluated. In fact, radiolysis of organic pollutants in aqueous solutions produces powerful reactive species, essentially hydroxyl radical ( ·OH), able to destroy recalcitrant pollutants in water. Pharmaceuticals considered in this study are aqueous solutions of paracetamol, ibuprofen, and diclofenac at different concentrations 0.1-1 mmol/L, which were treated with irradiation doses from 3 to 15 kGy. The catalytic oxidation of these compounds by gamma irradiation was investigated using hydrogen peroxide (H₂O₂) as a convenient oxidant. Optimization of the main parameters influencing irradiation process, namely irradiation doses, initial concentration and oxidant volume (H₂O₂) were investigated, in the aim to release high degradation efficiency of considered pharmaceuticals. Significant modifications attributed to these parameters appeared in the variation of degradation efficiency, chemical oxygen demand removal (COD) and concentration of radio-induced radicals, confirming them synergistic effect to attempt total mineralization. Pseudo-first-order reaction kinetics could be used to depict the degradation process of these compounds. A sophisticated analytical study was released to quantify the detected radio-induced radicals (electron paramagnetic resonance spectroscopy (EPR) and high performance liquid chromatography (HPLC)). All results showed that this process is effective for the degradation of many pharmaceutical products in aqueous solutions due to strong oxidative properties of generated radicals mainly hydroxyl radical. Furthermore, the addition of an optimal amount of H₂O₂ was efficient to improve the oxidative degradation and contribute to the high performance of this process at very low doses (0.5 and 1 kGy).

Keywords: AOP, COD, hydroxyl radical, EPR, gamma irradiation, HPLC, pharmaceuticals

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Authors: O. Alelweet, S. Pavia

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In order to face current compelling environmental problems affecting the planet, the construction industry needs to adapt. It is widely acknowledged that there is a need for durable, high-performance, low-greenhouse gas emission binders that can be used as an alternative to Portland cement (PC) to lower the environmental impact of construction. Alkali activated materials (AAMs) are considered a more sustainable alternative to PC materials. The binders of AAMs result from the reaction of an alkali metal source and a silicate powder or precursor which can be a calcium silicate or an aluminosilicate-rich material. This paper evaluates the particle size, specific surface area, chemical and mineral composition and amorphousness of silicate materials (most industrial waste locally produced in Ireland and Saudi Arabia) to develop alkali-activated binders that can replace PC resources in specific applications. These include recycled ceramic brick, bauxite, illitic clay, fly ash and metallurgical slag. According to the results, the wastes are reactive and comply with building standards requirements. The study also evidenced that the reactivity of the Saudi bauxite (with significant kaolinite) can be enhanced on thermal activation; and high calcium in the slag will promote reaction; which should be possible with low alkalinity activators. The wastes evidenced variable water demands that will be taken into account for mixing with the activators. Finally, further research is proposed to further determine the reactive fraction of the clay-based precursors.

Keywords: alkali activated materials, alkali-activated binders, sustainable building materials, recycled ceramic brick, bauxite, red mud, clay, fly ash, metallurgical slags, particle size, chemical and mineral composition and amorphousness, water demand, particle density

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Authors: M. Lu

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The paper presents part of the results of EU-funded projects: SoCool@EU (Sustainable Organisation between Clusters Of Optimized Logistics @ Europe), DG-RTD (Research and Innovation), Regions of Knowledge Programme (FP7-REGIONS-2011-1). It will provide an in-depth review of emerging technologies for further improving urban mobility and freight transport systems, such as (information and physical) infrastructure, ICT-based Intelligent Transport Systems (ITS), vehicles, advanced logistics, and services. Furthermore, the paper will provide an analysis of the barriers and will review business models for the market uptake of innovations. From a perspective of science and technology, the challenges of urbanization could be mainly handled through adequate (human-oriented) solutions for urban planning, sustainable energy, the water system, building design and construction, the urban transport system (both physical and information aspects), and advanced logistics and services. Implementation of solutions for these domains should be follow a highly integrated and balanced approach, a silo approach should be avoided. To develop a sustainable urban transport system (for people and goods), including inter-hubs and intra-hubs, a holistic view is needed. To achieve a sustainable transport system for people and goods (in terms of cost-effectiveness, efficiency, environment-friendliness and fulfillment of the mobility, transport and logistics needs of the society), a proper network and information infrastructure, advanced transport systems and operations, as well as ad hoc and seamless services are required. In addition, a road map for an enhanced urban transport system until 2050 will be presented. This road map aims to address the challenges of urban transport, and to provide best practices in inter-city and intra-city environments from various perspectives, including policy, traveler behaviour, economy, liability, business models, and technology.

Keywords: synchromodality, multimodal transport, logistics, Intelligent Transport Systems (ITS)

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Authors: D. Geringswald, B. Hintze

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The miniaturization of circuits is advancing. During chip manufacturing, structures are filled for example by metal organic chemical vapor deposition (MOCVD). Since this process reaches its limits in case of very high aspect ratios, the use of alternatives such as the atomic layer deposition (ALD) is possible, requiring the extension of existing coating systems. However, it is an unsolved question to what extent MOCVD can achieve results similar as an ALD process. In this context, this work addresses the characterization of a metal organic vapor deposition of titanium nitride. Based on the current state of the art, the film properties coating thickness, sheet resistance, resistivity, stress and chemical composition are considered. The used setting parameters are temperature, plasma gas ratio, plasma power, plasma treatment time, deposition time, deposition pressure, number of cycles and TDMAT flow. The derived process instructions for unstructured wafers and inside a structure with high aspect ratio include lowering the process temperature and increasing the number of cycles, the deposition and the plasma treatment time as well as the plasma gas ratio of hydrogen to nitrogen (H₂:N₂). In contrast to the current process configuration, the deposited titanium nitride (TiN) layer is more uniform inside the entire test structure. Consequently, this paper provides approaches to employ the MOCVD for structures with increasing aspect ratios.

Keywords: ALD, high aspect ratio, PE-MOCVD, TiN

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Authors: Ahmed Bahieldin, Ahmed Atef, Jamal S. M. Sabir, Nour O. Gadalla, Sherif Edris, Ahmed M. Alzohairy, Nezar A. Radhwan, Mohammed N. Baeshen, Ahmed M. Ramadan, Hala F. Eissa, Sabah M. Hassan, Nabih A. Baeshen, Osama Abuzinadah, Magdy A. Al-Kordy, Fotouh M. El-Domyati, Robert K. Jansen

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Wild salt-tolerant barley (Hordeum spontaneum) is the ancestor of cultivated barley (Hordeum vulgare or H. vulgare). Although the cultivated barley genome is well studied, little is known about genome structure and function of its wild ancestor. In the present study, RNA-Seq analysis was performed on young leaves of wild barley treated with salt (500 mM NaCl) at four different time intervals. Transcriptome sequencing yielded 103 to 115 million reads for all replicates of each treatment, corresponding to over 10 billion nucleotides per sample. Of the total reads, between 74.8 and 80.3% could be mapped and 77.4 to 81.7% of the transcripts were found in the H. vulgare unigene database (unigene-mapped). The unmapped wild barley reads for all treatments and replicates were assembled de novo and the resulting contigs were used as a new reference genome. This resultedin94.3 to 95.3%oftheunmapped reads mapping to the new reference. The number of differentially expressed transcripts was 9277, 3861 of which were uni gene-mapped. The annotated unigene- and de novo-mapped transcripts (5100) were utilized to generate expression clusters across time of salt stress treatment. Two-dimensional hierarchical clustering classified differential expression profiles into nine expression clusters, four of which were selected for further analysis. Differentially expressed transcripts were assigned to the main functional categories. The most important groups were ‘response to external stimulus’ and ‘electron-carrier activity’. Highly expressed transcripts are involved in several biological processes, including electron transport and exchanger mechanisms, flavonoid biosynthesis, reactive oxygen species (ROS) scavenging, ethylene production, signaling network and protein refolding. The comparisons demonstrated that mRNA-Seq is an efficient method for the analysis of differentially expressed genes and biological processes under salt stress.

Keywords: electron transport, flavonoid biosynthesis, reactive oxygen species, rnaseq

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Authors: Nurudeen Ayeni, Kasali Bello, Ovi Abayeh

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Study of the effect of dye–resin complexation on the degree of dye absorption were carried out using Procion Blue MX-R to dye cotton fabric in the presence hexamethylol melamine (MR 6) and its phosphate derivative (MPR 4) for resination. The highest degree of dye exhaustion was obtained at 400 C for 1 hour with the resinated fabric showing more affinity for the dye than the ordinary fiber. Improved fastness properties was recorded which show a relatively higher stability of dye–resin–cellulose network formed.

Keywords: cotton fabric, reactive dye, dyeing, resination

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Authors: A. J. Shah, Neeraj Kumar Sahu

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Reactive powder concrete (RPC) is high performance and high strength concrete which composes of very fine powdered materials like cement, sand, silica fume and quartz powder. It also constitutes steel fibre (optional) and super-plasticizer. The present study investigates the performance of reactive powder concrete with fly ash as a replacement of cement under hot water and normal water curing conditions. The replacement of cement with fly ash is done at 10%, 20%, 30% and 40%. To compare the results of cement replaced RPC and traditional RPC, the performance of various mixes is evaluated by compressive strength, flexural strength, split tensile strength and durability. The results show that with increasing percentage of fly ash, improvement in durability is observed and a slight decrease in compressive strength and flexural strength is also observed. It is observed that specimen under hot water curing showed 15 to 20 % more strength than specimens under normal water curing.

Keywords: high strength concrete, the flexural strength of RPC, compressive strength of RPC, durability

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Authors: Dimitrios J. Dimitriou, Maria F. Sartzetaki

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Transport infrastructure assets are key components of the national asset portfolio. The decision to invest in a new infrastructure in transports could take from a few years to some decades. This is mainly because of the need to reserve and spent many capitals, the long payback period, the number of the stakeholders involved in decision process and –many times- the investment and business risks are high. Therefore, the decision assessment framework is an essential challenge linked with the key decision factors meet the stakeholder expectations highlighting project trade-offs, financial risks, business uncertainties and market limitations. This paper examines the decision process for new transport infrastructure projects in cross border regions, where a wide range of stakeholders with different expectation is involved. According to a consequences analysis systemic approach, the relationship of transport infrastructure development, economic system development and stakeholder expectation is analyzed. Adopting the on system of system methodological approach, the decision making framework, variables, inputs and outputs are defined, highlighting the key shareholder’s role and expectations. The application provides the methodology outputs presenting the proposed decision framework for a strategic railway project in north Greece deals with the upgrade of the existing railway corridor connecting Greece, Turkey and Bulgaria.

Keywords: decision making, system of system, cross-border, infrastructure project

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Authors: Adel Belayadi, Ahmed Mougari, Boualem Bourahla

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Molecular junctions are currently considered a promising style in the miniaturization of electronic devices. In this contribution, we provide a tight-binding model to investigate the quantum transport properties across-molecular junctions sandwiched between 2D-graphene nanoribbons in the zigzag direction. We investigate, in particular, the effect of embedded atoms such as Gold and Silicon across the molecular junction. The results exhibit a resonance behavior in terms of incident Fermi levels, depending on the molecular junction type. Additionally, the transport properties under a perpendicular magnetic field exhibit an oscillation for the transmittance versus the magnetic field strength.

Keywords: molecular junction, 2D-graphene nanoribbons, quantum transport properties, magnetic field

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Authors: Ernesto Linan, Linda Cruz, Lucero Becerra

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In this paper, a new hybridized algorithm based on Chemical Reaction Optimization and Simulated Annealing is proposed to solve the alignment sequence Problem. The Chemical Reaction Optimization is a population-based meta-heuristic algorithm based on the principles of a chemical reaction. Simulated Annealing is applied to solve a large number of combinatorial optimization problems of general-purpose. In this paper, we propose hybridization between Chemical Reaction Optimization algorithm and Simulated Annealing in order to solve the Sequence Alignment Problem. An initial population of molecules is defined at beginning of the proposed algorithm, where each molecule represents a sequence alignment problem. In order to simulate inter-molecule collisions, the process of Chemical Reaction is placed inside the Metropolis Cycle at certain values of temperature. Inside this cycle, change of molecules is done due to collisions; some molecules are accepted by applying Boltzmann probability. The results with the hybrid scheme are better than the results obtained separately.

Keywords: chemical reaction optimization, sequence alignment problem, simulated annealing algorithm, metaheuristics

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Authors: Amina Sriba

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In this work, interactions between the chemical elements forming the passive film of welded austenitic stainless steel during pitting corrosion are studied. We pay special attention to the chemical elements chromium, molybdenum, iron, nickel, and silicon since they make up the passive film that covers the fusion zone's surface in the welded joint. Molybdenum and chromium are typically the two essential components that control the three crucial stages of pit formation. It was found that while the involvement of chromium is more prominent during the propagation of a pit that has already begun, the enrichment of the molybdenum element in the passive film becomes apparent from the first stage of pit initiation. Additionally, during the pitting corrosion process, there was a noticeable fluctuation in the quantities of the produced oxides and hydroxide species from zone to zone. Regarding the formed hydroxide species, we clearly see that Nickel hydroxides are added to those of Chromium to constitute the outer layer in the passive film of the fusion zone sample, compared to the base metal sample, where only Chromium hydroxide formed on its surface during the pitting corrosion process. This reaction is caused by the preferential dissolution of the austenite phase instead of ferrite in the fusion zone.

Keywords: fusion zone, passive film, chemical elements, pit

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Authors: Rewadee Anuwattana, Pattamaphorn Phuangngamphan, Narumon Soparatana, Supinya Sutthima, Worapong Pattayawan, Saroj Klangkongsub, Songkiat Roddang, Pluek Wongpanich

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The leachate wastewater is high contaminant water; hence it needs to be treated. The objective of this research was to determine the Chemical Oxygen Demand (COD) concentration, Phosphate (PO₄³⁻), Ammonia (NH₃) and color in leachate wastewater in the landfill area. The experiments were carried out in the optimum condition by pH, the Fenton reagent dosage (concentration of dosing Fe²⁺ and H₂O₂). The optimum pH is 3, the optimum [Fe²⁺]/[COD] and [H₂O₂]/[COD₀] = 0.03 and 0.03, respectively. The Biochemical Oxygen Demand (BOD₅)/Chemical Oxygen Demand (COD) ratio can be adjusted to 1 for landfill leachate wastewater (BOD₅/COD = 0.11). From the results, the Fenton process shall be investigated further to achieve the removal of phosphates in addition to COD and color.

Keywords: landfill leachate treatment, open dumpsite, Fenton process, wastewater treatment

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Authors: N. Harun, E. E. Masiren, W. H. W. Ibrahim, F. Adam

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Amine absorption process is an approach for mitigation of CO2 from flue gas that produces from power plant. This process is the most common system used in chemical and oil industries for gas purification to remove acid gases. On the challenges of this process is high energy requirement for solvent regeneration to release CO2. In the past few years, mixed alkanolamines have received increasing attention. In most cases, the mixtures contain N-methyldiethanolamine (MDEA) as the base amine with the addition of one or two more reactive amines such as PZ. The reason for the application of such blend amine is to take advantage of high reaction rate of CO2 with the activator combined with the advantages of the low heat of regeneration of MDEA. Several experimental and simulation studies have been undertaken to understand this process using blend MDEA/PZ solvent. Despite those studies, the mechanism of CO2 absorption into the aqueous MDEA is not well understood and available knowledge within the open literature is limited. The aim of this study is to investigate the intermolecular interaction of the blend MDEA/PZ using Molecular Dynamics (MD) simulation. MD simulation was run under condition 313K and 1 atm using NVE ensemble at 200ps and NVT ensemble at 1ns. The results were interpreted in term of Radial Distribution Function (RDF) analysis through two system of interest i.e binary and tertiary. The binary system will explain the interaction between amine and water molecule while tertiary system used to determine the interaction between the amine and CO2 molecule. For the binary system, it was observed that the –OH group of MDEA is more attracted to water molecule compared to –NH group of MDEA. The –OH group of MDEA can form the hydrogen bond with water that will assist the solubility of MDEA in water. The intermolecular interaction probability of –OH and –NH group of MDEA with CO2 in blended MDEA/PZ is higher than using single MDEA. This findings show that PZ molecule act as an activator to promote the intermolecular interaction between MDEA and CO2.Thus, blend of MDEA with PZ is expecting to increase the absorption rate of CO2 and reduce the heat regeneration requirement.

Keywords: amine absorption process, blend MDEA/PZ, CO2 capture, molecular dynamic simulation, radial distribution function

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Authors: Princes Ann E. Prieto, Denise F. Alpuerto, John Rafael C. Unlayao, Neil Concibido, Monet Concepcion Maguyon-Detras

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Failure Mode and Effects Analysis (FMEA) has been used in the virtual Process Hazard Analysis (PHA) of the Acetone production process through the dehydrogenation of isopropyl alcohol, for which very limited process risk assessment has been published. In this study, the potential failure modes, effects, and possible causes of selected major equipment in the process were identified. During the virtual FMEA mock sessions, the risks in the process were evaluated and recommendations to reduce and/or mitigate the process risks were formulated. The risk was estimated using the calculated risk priority number (RPN) and was classified into four (4) levels according to their effects on acetone production. Results of this study were also used to rank the criticality of equipment in the process based on the calculated criticality rating (CR). Bow tie diagrams were also created for the critical hazard scenarios identified in the study.

Keywords: chemical process safety, failure mode and effects analysis (FMEA), process hazard analysis (PHA), process safety management (PSM)

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Authors: N. P. G. N. Chandrasekara, R. M. Pashley

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Ion exchange (IEX) resins are commonly available as cationic or anionic resins but not as polyampholytic resins. This is probably because sequential acid and base washing cannot produce complete regeneration of polyampholytic resins with chemically attached anionic and cationic groups in close proximity. The ‘Sirotherm’ process, developed by the Commonwealth Scientific and Industrial Research Organization (CSIRO) in Melbourne, Australia was originally based on the use of a physical mixture of weakly basic (WB) and weakly acidic (WA) ion-exchange resin beads. These resins were regenerated thermally and they were capable of removing salts from an aqueous solution at higher temperatures compared to the salt sorbed at ambient temperatures with a significant reduction of the sorption capacity with increasing temperature. A new process for the efficient regeneration of mixed bead resins using ammonium bicarbonate with heat was studied recently and this chemical/thermal regeneration technique has the capability for completely regenerating polyampholytic resins. Even so, the low IEX capacities of polyampholytic resins restrict their commercial applications. Recently, we have established another novel process for increasing the IEX capacity of a typical polyampholytic resin. In this paper we will discuss the chemical/thermal regeneration of a polyampholytic (WA/WB) resin and a novel process for enhancing its ion exchange capacity, by increasing its internal pore area. We also show how effective this method is for completely recycled regeneration, with the potential of substantially reducing chemical waste.

Keywords: capacity, ion exchange, polyampholytic resin, regeneration

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Authors: Seyedeh Mozhgan Seyed-Talebi, Weng-Kent Chan, Hsin-Yi Tiffany Chen

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Lead-free perovskite photovoltaic (PV) technology employing non-toxic tin halide perovskite absorbers is pivotal for advancing perovskite solar cell (PSC) commercialization. Despite challenges posed by perovskite sensitivity to oxygen and humidity, our study utilizes DFT calculations using VASP and NanoDCAL software and SCAPS-1D simulations to elucidate the charge transport mechanism at the interface of CsSnI₃-FASnI₃ heterojunction. Results reveal how inherent electric fields facilitate efficient carrier transport, reducing recombination losses. We predict optimized power conversion efficiencies (PCEs) and highlight the potential of CsSnI3-FASnI3 heterojunctions for cost-effective and efficient charge transport layer-free (CTLF) photovoltaic devices. Our study provides insights into the future direction of recognizing more efficient, nontoxic heterojunction perovskite devices.

Keywords: charge transport layer free, CsSnI₃-FASnI₃ heterojunction, lead-free perovskite solar cell, tin halide perovskite., Charge transport layer free

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Authors: Aprajeeta Jha, Punyadarshini P. Tripathy

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Drying is one of the most critical unit operations for prolonging the shelf-life of food grains in order to ensure global food security. Photovoltaic integrated solar dryers can be a sustainable solution for replacing energy intensive thermal dryers as it is capable of drying in off-sunshine hours and provide better control over drying conditions. But, performance and reliability of PV based solar dryers depend hugely on climatic conditions thereby, drastically affecting process parameters. Therefore, to ensure quality and prolonged shelf-life of paddy, optimization of process parameters for solar dryers is critical. Proper moisture distribution within the grains is most detrimental factor to enhance the shelf-life of paddy therefore; modeling of mass transport can help in providing a better insight of moisture migration. Hence, present work aims at optimizing the process parameters and to develop a 3D finite element model (FEM) for predicting moisture profile in paddy during solar drying. Optimization of process parameters (power level, air velocity and moisture content) was done using box Behnken model in Design expert software. Furthermore, COMSOL Multiphysics was employed to develop a 3D finite element model for predicting moisture profile. Optimized model for drying paddy was found to be 700W, 2.75 m/s and 13% wb with optimum temperature, milling yield and drying time of 42˚C, 62%, 86 min respectively, having desirability of 0.905. Furthermore, 3D finite element model (FEM) for predicting moisture migration in single kernel for every time step has been developed. The mean absolute error (MAE), mean relative error (MRE) and standard error (SE) were found to be 0.003, 0.0531 and 0.0007, respectively, indicating close agreement of model with experimental results. Above optimized conditions can be successfully used to dry paddy in PV integrated solar dryer in order to attain maximum uniformity, quality and yield of product to achieve global food and energy security

Keywords: finite element modeling, hybrid solar drying, mass transport, paddy, process optimization

Procedia PDF Downloads 128

Authors: Amitkumar Barot, Vijaykumar Sinha

Abstract:

There is growing interest in the development of new materials based on recycled polymers from plastic waste, and also in the field of lubricants much effort has been spent on substitution of petro-based raw materials by natural-based renewable ones. This is due to the facts of depleting fossil fuels and due to strict environmental laws. In relevance to this, new technique for the formulation of grease that combines the chemical recycling of poly (ethylene terephthalate) PET with the use of castor oil (CO) has been developed. Comparison to diols used in chemical recycling of PET, castor oil is renewable, easily available, environmentally friendly, economically cheaper and hence sustainability indeed. The process parameters like CO concentration and temperature were altered, and further, the influences of the process parameters have been studied in order to establish technically and commercially viable process. Further thereby formed depolymerized product find an application as base oil in the formulation of grease. A depolymerized product has been characterized by various chemical and instrumental methods, while formulated greases have been evaluated for its tribological properties. The grease formulated using this new environmentally friendly approach presents applicative properties similar, and in some cases superior, compared to those of a commercial grease obtained from non-renewable resources.

Keywords: castor oil, grease formulation, recycling, sustainability

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Authors: Jiaqi Zhang, Zhi Dong, Pan Xing

Abstract:

With the continuous development of urban agglomerations, higher demands are placed on intercity public transport travel services. To improve these services, it is necessary to comprehensively understand the views and evaluations of travelers. Taking the Guanzhong Plain urban agglomeration in China as the object, this study explores subjective attitude indicators from self-administrated survey data and examines the relationship among perceived accessibility, preference, and satisfaction for intercity public transport using a structural equation model. The results show that perceived service quality has a direct positive impact on perceived accessibility and satisfaction. Perceived accessibility and preference significantly affect satisfaction. In addition, perceived accessibility mediates the effect of service quality on satisfaction. This study provides valuable insights from a policy perspective to improve the subjective evaluation of intercity public transport travelers while emphasizing the importance of subjective variables in transport system evaluation and advocates for their subdivision to more comprehensively improve the travel experience.

Keywords: intercity public transport, perceived accessibility, satisfaction, structural equation model

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Authors: Frederik Schulte, Stefan Voß

Abstract:

The adverse effects of air pollution on public health are an increasingly vital problem in planning for urban regions in many parts of the world. The issue is addressed from various angles and by distinct disciplines in research. Epidemiological studies model the relative increase of numerous diseases in response to an increment of different forms of air pollution. A significant share of air pollution in urban regions is related to transport emissions that are often measured and stored in emission inventories. Though, most approaches in transport planning, engineering, and operational design of transport activities are restricted to general emission limits for specific air pollutants and do not consider more nuanced exposure models. We conduct an extensive literature review on exposure models and emission inventories used to study the health impact of transport emissions. Furthermore, we review methods applied in both domains and use emission inventory data of transportation hubs such as ports, airports, and urban traffic for an in-depth analysis of public health impacts deploying medical exposure models. The results reveal specific urban health risks related to transport emissions that may improve urban planning for environmental health by providing insights in actual health effects instead of only referring to general emission limits.

Keywords: emission inventories, exposure models, transport emissions, urban health

Procedia PDF Downloads 376

Authors: Sh. Arzani, H. Kazemi Esfeh, Y. Galeh Zadeh, V. Akbari

Abstract:

Ethylene dichloride is a colorless liquid with a smell like chloroform. EDC is classified in the simple hydrocarbon group which is obtained from chlorinating ethylene gas. Its chemical formula is C2H2Cl2 which is used as the main mediator in VCM production. Therefore, the purification process of EDC is important in the petrochemical process. In this study, the purification unit of EDC was simulated, and then validation was performed. Finally, the impact of process parameter was studied for the degree of EDC purity. The results showed that by increasing the feed flow, the reflux impure combinations increase and result in an EDC purity decrease.

Keywords: ethylene dichloride, purification, edc, simulation

Procedia PDF Downloads 305