Search results for: quantum chemical methods

Authors: Hatam H. Ali, Mohd Shahrizal Sunar, Hoshang Kolivand, Mohd Azhar Bin M. Arsad

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Rendering light shafts is one of the important topics in computer gaming and interactive applications. The methods and models that are used to generate light shafts play crucial role to make a scene more realistic in computer graphics. This article discusses the image-based shadows and geometric-based shadows that contribute in generating volumetric shadows and light shafts, depending on ray tracing, radiosity, and ray marching technique. The main aim of this study is to provide researchers with background on a progress of light scattering methods so as to make it available for them to determine the technique best suited to their goals. It is also hoped that our classification helps researchers find solutions to the shortcomings of each method.

Keywords: shaft of lights, realistic images, image-based, and geometric-based

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Authors: Rajat Mittal, Jung Hee Seo, Jacob Turner, Harshal Raut

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The perpetual advancement in computational capabilities, coupled with the continuous evolution of software tools and numerical algorithms, is creating novel avenues for research, exploration, and application at the nexus of computational fluid and structural mechanics. Fish leverage their remarkably flexible bodies and fins to harness energy from vortices, propelling themselves with an elegance and efficiency that captivates engineers. Bats fly with unparalleled agility and speed by using their flexible membrane wings. Wave-assisted propulsion (WAP) systems, utilizing elastically mounted hydrofoils, convert wave energy into thrust. Each of these problems involves a complex and elegant interplay between fluid dynamics and structural mechanics. Historically, investigations into such phenomena were constrained by available tools, but modern computational advancements now facilitate exploration of these multi-physics challenges with an unprecedented level of fidelity, precision, and realism. In this work, the author will discuss projects that harness the capabilities of high-fidelity sharp-interface immersed boundary methods to address a spectrum of engineering and biological challenges involving fluid-structure interaction.

Keywords: immersed boundary methods, CFD, bioflight, fluid structure interaction

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Authors: Rudolf Hela, Michala Hubertova

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The paper focuses on research of durability and lifetime of dense light-weight concrete with artificial light-weight aggregate Liapor exposed to various types of aggressive environment. Experimental part describes testing of designed concrete of various strength classes and volume weights exposed to cyclical freezing, frost and chemical de-icers and various types of chemically aggressive environment.

Keywords: aggressive environment, durability, physical-mechanical properties, light-weight concrete

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Authors: Pelin Yılmaz Çetiner, Metin Mert İlgün, Nazlı Çetindağ, Emine Birci, Gizemnur Yıldız Uysal, Özcan Hatipoğlu, Ehsan Tuzcuoğlu, Gökhan Sır

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Water scarcity is an inevitable problem affecting more and more people day by day. It is a worldwide crisis and a consequence of rapid population growth, urbanization and overexploitation. Thus, the solutions providing the reclamation of the wastewater are the desired approach. Wastewater contains various substances such as organic, soaps and detergents, solvents, biological substances, and inorganic substances. The physical properties of the wastewater differs regarding to its origin such as commerical, domestic or hospital usage. Thus, the treatment strategy of this type of wastewater is should be comprehensively investigated and properly treated. The advanced oxidation process comes up as a hopeful method associated with the formation of reactive hydroxyl radicals that are highly reactive to oxidize of organic pollutants. This process has a priority on other methods such as coagulation, flocuation, sedimentation and filtration since it was not cause any undesirable by-products. In the present study, it was aimed to investigate the applicability of advanced oxidation process for the treatment of household appliances wastewater. For this purpose, the laboratory studies providing the effectively addressing of the formed radicals to organic pollutants were carried out. Then the effect of process parameters were comprehensively studied by using response surface methodology, Box-Benhken experimental desing. The final chemical oxygen demand (COD) was the main output to evaluate the optimum point providing the expected COD removal. The linear alkyl benzene sulfonate (LAS), total dissolved solids (TDS) and color were measured for the optimum point providing the expected COD removal. Finally, present study pointed out that advanced oxidation process might be efficiently preffered to treat of the household appliances wastewater and the optimum process parameters provided that expected removal of COD.

Keywords: advanced oxidation process, household appliances wastewater, modelling, water reuse

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Authors: Kyungbong Kim

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This study proposed to compare and analyse the five stages of cultivating the Yogâcāra path and the spiritual journey in the Ten Ox-Herding Pictures. To achieve this, the study investigated the core concepts and practice methods of the two approaches and analysed their relations from the literature reviewed. The results showed that the end goal of the two approaches is the same, the attainment of Buddhahood, with the two having common characteristics including the practice of being aware of the impermanent and non-self, and the fulfilling benefit of sentient beings. The results suggest that our Buddhist practice system needs to sincerely consider the realistic ways by which one can help people in agony in contemporary society, not by emphasizing on the enlightenment through a specific practice way for all people, but by tailored practice methods based on each one's faculties in understanding Buddhism.

Keywords: transformation of consciousness to wisdom, enlightenment, the five stages of cultivating the Yogacāra path, the Ten Ox-Herding Pictures, transformation of the basis

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Authors: B. Bakchiche, H. Guenane, M. Bireche, A. Noureddinne, A. Gherib

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The chemical composition of the essential oils obtained by hydrodistillation from Artemisia campestris L (family Asteraceae) collected in Djebel Amour (Sahara Atlas, Algeria). Aerial parts were also evaluated by gas chromatography (GC) and gas chromatography coupled to mass spectrometry (GC-MS). The analyses for leaves and fruits of A. campestris resulted in the identification of thirty-one compounds, representing 91.8 % of the total oil and the yields were 0.33% (v/dry weight). The main components were β-pinene and sabinene (25.6% and 17% respectively) followed by α-pinene (9.9%), limonene (6.6 %) and p-cymene (4.1%).

Keywords: essential oil, GC-MS, Artemesia campestris, Algeria

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Authors: Jonathan J. Burson

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With the rise of virtually costless, mobile-based trading platforms, stock market trading activity has increased significantly over the past decade, particularly for the millennial generation. This increased stock market attention, combined with the recent market turmoil due to the economic upset caused by COVID-19, make the topics of market-timing and forecasting particularly relevant. While the overall stock market saw an unprecedented, historically-long bull market from March 2009 to February 2020, the end of that bull market reignited a search by investors for a way to reduce risk and increase return. Similar searches for outperformance occurred in the early, and late 2000’s as the Dotcom bubble burst and the Great Recession led to years of negative returns for mean-variance, index investors. Extensive research has been conducted on fundamental analysis, technical analysis, macroeconomic indicators, microeconomic indicators, and other techniques—all using different methodologies and investment periods—in pursuit of higher returns with lower risk. The enormous variety of timeframes, data, and methodologies used by the diverse forecasting methods makes it difficult to compare the outcome of each method directly to other methods. This paper establishes a process to evaluate the market-timing methods in an apples-to-apples manner based on simplicity, performance, and feasibility. Preliminary findings show that certain technical analysis models provide a higher return with lower risk when compared to the buy-and-hold method and to other market-timing strategies. Furthermore, technical analysis models tend to be easier for individual investors both in terms of acquiring the data and in analyzing it, making technical analysis-based market-timing methods the preferred choice for retail investors.

Keywords: buy-and-hold, forecast, market-timing, probit, technical analysis

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Authors: Rafal Michalski, Jakub Zygadlo

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We present the concept and scientific methods and algorithms of our computation system called ATOMIC MATTERS. This is the first presentation of the new computer package, that allows its user to describe physical properties of atomic localized electron systems subject to electromagnetic interactions. Our solution applies to situations where an unclosed electron 2p/3p/3d/4d/5d/4f/5f subshell interacts with an electrostatic potential of definable symmetry and external magnetic field. Our methods are based on Crystal Electric Field (CEF) approach, which takes into consideration the electrostatic ligands field as well as the magnetic Zeeman effect. The application allowed us to predict macroscopic properties of materials such as: Magnetic, spectral and calorimetric as a result of physical properties of their fine electronic structure. We emphasize the importance of symmetry of charge surroundings of atom/ion, spin-orbit interactions (spin-orbit coupling) and the use of complex number matrices in the definition of the Hamiltonian. Calculation methods, algorithms and convention recalculation tools collected in ATOMIC MATTERS were chosen to permit the prediction of magnetic and spectral properties of materials in isostructural series.

Keywords: atomic matters, crystal electric field (CEF) spin-orbit coupling, localized states, electron subshell, fine electronic structure

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Authors: Wenjin Zhu, Ian E. Jacobs, Henning Sirringhaus

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This project delves into the efficiency of uniaxial alignment and ion exchange doping as methods to optimize the thermoelectric properties of organic polymers. The anisotropic nature of charge transport in conjugated polymers is capitalized upon through the uniaxial alignment of polymer backbones, ensuring charge transport is streamlined along these backbones. Ion exchange doping has demonstrated superiority over traditional molecular and electrochemical doping methods, amplifying charge carrier densities. By integrating these two techniques, we've observed marked improvements in the thermoelectric attributes of specific conjugated polymers such as PBTTT and DPP based polymers. We demonstrate respectable power factors of 172.6 μW m⁻¹ K⁻² in PBTTT system and 41.7 μW m⁻¹ K⁻² in DPP system.

Keywords: organic electronics, thermoelectrics, uniaxial alignment, ion exchange doping

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Authors: Judit Vilarmau

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Generative AI is emerging rapidly and transforming higher education in many ways, occasioning new challenges and disrupting traditional models and methods. The studies and authors explored remark on the impact on the ethics, curriculum, and pedagogical methods. Students are increasingly using generative AI for study, as a virtual tutor, and as a resource for generating works and doing assignments. This point is crucial for educators to make sure that students are using generative AI with ethical considerations. Generative AI also has relevant benefits for educators and can help them personalize learning experiences and promote self-regulation. Educators must seek and explore tools like ChatGPT to innovate without forgetting an ethical and pedagogical perspective. Eighteen studies were systematically reviewed, and the findings provide implementation guidelines with pedagogical and ethical considerations.

Keywords: ethics, generative artificial intelligence, guidelines, higher education, pedagogy

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Authors: V. Emery David Jr., J. Wenchao, D. Mmereki, Y. John, F. Heriniaina

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Healthcare waste management continues to present an array of challenges for developing countries, and Liberia is of no exception. There is insufficient information available regarding the generation, handling, and disposal of health care waste. This face serves as an impediment to healthcare management schemes. The specific objective of this study is to present an evaluation of the current health care management practices in Liberia. It also presented procedures, techniques used, methods of handling, transportation, and disposal methods of wastes as well as the quantity and composition of health care waste. This study was conducted as an investigative case study, covering three different health care facilities; a hospital, a health center, and a clinic in Monrovia, Montserrado County. The average waste generation was found to be 0-7kg per day at the clinic and health center and 8-15kg per/day at the hospital. The composition of the waste includes hazardous and non-hazardous waste i.e. plastic, papers, sharps, and pathological elements etc. Nevertheless, the investigation showed that the healthcare waste generated by the surveyed healthcare facilities were not properly handled because of insufficient guidelines for separate collection, and classification, and adequate methods for storage and proper disposal of generated wastes. This therefore indicates that there is a need for improvement within the healthcare waste management system to improve the existing situation.

Keywords: disposal, healthcare waste, management, Montserrado County, Monrovia

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Authors: Meriem Abid, Erika Oliveria-Jardim, Andres Fullana, Joaquin Silvestre-Albero

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The rapid industrial development associated with the increase of volatile organic compounds (VOCs) has seriously impacted the environment. Among VOCs, hydrogen sulfide (H₂S) is known as a highly toxic, malodorous, flammable, and corrosive gas, which is emitted from diverse chemical processes, including industrial waste-gas streams, natural gas processing, and biogas purification. The high toxicity, corrosively, and very characteristic odor threshold of H2S call for urgent development of efficient desulfurization processes from the viewpoint of environmental protection and resource regeneration. In order to reduce H₂S emissions, effective technologies for have been performed. The general method of H₂S removal included amine aqueous solution, adsorption process, biological methods, and fixed-bed solid catalytic oxidation processes. Ecologically and economically, low-temperature direct oxidation of H₂S to elemental sulfur using catalytic oxidation is the preferred approach for removing H₂S-containing gas streams. A large number of catalysts made from carbon, metal oxides, clay, and others, have been studied extensively for this application. In this sense, activated carbon (AC) is an attractive catalyst for H₂S removal because it features a high specific surface area, diverse functional groups, low cost, durability, and high efficiency. It is interesting to stand out that AC is modified using metal oxides to promote the efficiency of H₂S removal and to enhance the catalytic performance. Based on these premises, the main goal of the present study is the evaluation of the H₂S adsorption performance in carbon-encapsulated iron nanoparticles obtained from an olive mill, thermally treated at 600, 800 and 1000 ºC temperatures under anaerobic conditions. These results anticipate that carbon-encapsulated iron nanoparticles exhibit a promising performance for the H₂S removal up to 360 mg/g.

Keywords: H₂S removal, catalytic oxidation, carbon encapsulated iron, olive mill wastewater

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Authors: Marcel Randermann, Roland Jochem

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Research activities are mostly conducted in form of projects. In fact, research projects take the highest share of all project forms combined. However, project management is very rarely applied purposefully by researchers and scientists. More specifically no project management frameworks, methods or tools are not being used to plan, execute or control research project to ensure research success or improve project quality. In this qualitative study, several interviews were conducted with scientists and research managers from German institutions to gain insights into project management activities, to determine challenges and barriers, and to evaluate premises for successful project management. The analyses show that conventional project management is not easily applicable in scientific environments and researchers’ mindsets prevent a reasonable application.

Keywords: academics, project management methods, research and science projects, scientist's mindset

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Authors: V. S. Bushkova

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It is well known that in recent years magnetic materials have received increased attention due to their properties. For this reason a significant number of patents that were published during the last decade are oriented towards synthesis and study of such materials. The aim of this work is to create and study ferrite nanocrystalline materials with spinel structure, using sol-gel technology with participation of auto-combustion. This method is perspective in that it is a cheap and low-temperature technique that allows for the fine control on the product’s chemical composition.

Keywords: magnetic materials, ferrites, sol-gel technology, nanocrystalline powders

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Authors: Ai Serizawa, Kotaro Mori, Takahiro Ishizaki

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Al alloys have been used as advanced structural materials in automobile and railway industries because of excellent physical and mechanical properties such as low density, good heat conductivity, and high specific strength. Their low corrosion resistance, however, limits their use in the corrosive environment. To improve the corrosion resistance of the Al alloys, the development of a novel coating technology has been highly desirable. Chemical conversion methods using layered double hydroxide (LDH) have attracted much attention because the LDH can suppress corrosion reaction due to their trapping ability of corrosive anions such as Cl- between layers. In this presentation, we report on a novel preparation method of AlOOH film containing Mg-Al layered double hydroxide (LDH) on Al alloy by steam coating. The corrosion resistance of the composite film including LDH was especially focused. Al-Mg-Si alloy was used as the substrate. The substrates were ultrasonically cleaned in ethanol for 10 min. The cleaned substrates were set in the autoclave with a 100 mL capacity. 20 ml of ultrapure water was located at the bottom of the autoclave to produce steam. The autoclave was heated up to a temperature of 100 to 200 °C, and then held at this temperature for up to 48 h, and was subsequently cooled naturally to room temperature, resulting in the formation of anticorrosive films on Al alloys. The resultant films were characterized by XRD, FT-IR, FE-SEM and electrochemical measurements. FE-SEM image of film surface treated at 180 °C for 48 h demonstrated that needle-like nanostructure was densely formed on the surface. XRD patterns revealed that the film formed on the Al alloys by steam coating was composed of crystal AlOOH and Mg-Al LDH. The corrosion resistance of the film was evaluated using electrochemical measurements. The potentiodynamic polarization curves of the film coated and uncoated substrates of Al-Mg-Si alloy after immersion in the 5 wt% NaCl aqueous solution for 30 min revealed that the corrosion current density, jcorr, of the film coated sample decreased by more than two orders of magnitude as compared to the uncoated sample, indicating that the corrosion resistance of the substrates of Al-Mg-Si alloy were improved by the formation of the anticorrosive film via steam coating.

Keywords: aluminum alloy, boehmite, corrosion resistance, steam process

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Authors: Reyhan Azeriansyah, Yudo Prasetyo, Bambang Darmo Yuwono

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Land subsidence is one of the problems that occur in the coastal areas of Java Island, one of which is the Semarang and Demak areas located in the northern region of Central Java. The impact of sea erosion, rising sea levels, soil structure vulnerable and economic development activities led to both these areas often occurs on land subsidence. To know how much land subsidence that occurred in the region needs to do the monitoring carried out by remote sensing methods such as PS-InSAR method. PS-InSAR is a remote sensing technique that is the development of the DInSAR method that can monitor the movement of the ground surface that allows users to perform regular measurements and monitoring of fixed objects on the surface of the earth. PS InSAR processing is done using Standford Method of Persistent Scatterers (StaMPS). Same as the recent analysis technique, Persistent Scatterer (PS) InSAR addresses both the decorrelation and atmospheric problems of conventional InSAR. StaMPS identify and extract the deformation signal even in the absence of bright scatterers. StaMPS is also applicable in areas undergoing non-steady deformation, with no prior knowledge of the variations in deformation rate. In addition, this method can also cover a large area so that the decline in the face of the land can cover all coastal areas of Semarang and Demak. From the PS-InSAR method can be known the impact on the existing area in Semarang and Demak region per year. The PS-InSAR results will also be compared with the GPS monitoring data to determine the difference in land decline that occurs between the two methods. By utilizing remote sensing methods such as PS-InSAR method, it is hoped that the PS-InSAR method can be utilized in monitoring the land subsidence and can assist other survey methods such as GPS surveys and the results can be used in policy determination in the affected coastal areas of Semarang and Demak.

Keywords: coastal area, Demak, land subsidence, PS-InSAR, Semarang, StaMPS

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Authors: Guofan Shao, Lina Tang, Hao Zhang

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The values of image classification accuracy are affected by class size distributions and classification schemes, making it difficult to compare the performance of classification algorithms across different remote sensing data sources and classification systems. Based on the term efficacy from medicine and pharmacology, we have developed the metrics of image classification efficacy at the map and class levels. The novelty of this approach is that a baseline classification is involved in computing image classification efficacies so that the effects of class statistics are reduced. Furthermore, the image classification efficacies are interpretable and comparable, and thus, strengthen the assessment of image data classification methods. We use real-world and hypothetical examples to explain the use of image classification efficacies. The metrics of image classification efficacy meet the critical need to rectify the strategy for the assessment of image classification performance as image classification methods are becoming more diversified.

Keywords: accuracy assessment, efficacy, image classification, machine learning, uncertainty

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Authors: Pierluigi Tosi, Ed de Jong, Gerard van Klink, Luc Vincent, Alice Mija

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During the last decades renewable and low-cost resources have attracted increasingly interest. Carbohydrates can be derived by lignocellulosic biomasses, which is an attractive option since they represent the most abundant carbon source available in nature. Carbohydrates can be converted in a plethora of industrially relevant compounds, such as 5-hydroxymethylfurfural (HMF) and levulinic acid (LA), within acid catalyzed dehydration of sugars with mineral acids. Unfortunately, these acid catalyzed conversions suffer of the unavoidable formation of highly viscous heterogeneous poly-disperse carbon based materials known as humins. This black colored low value by-product is made by a complex mixture of macromolecules built by covalent random condensations of the several compounds present during the acid catalyzed conversion. Humins molecular structure is still under investigation but seems based on furanic rings network linked by aliphatic chains and decorated by several reactive moieties (ketones, aldehydes, hydroxyls, …). Despite decades of research, currently there is no way to avoid humins formation. The key parameter for enhance the economic viability of carbohydrate conversion processes is, therefore, increasing the economic value of the humins by-product. Herein are presented new humins based polymeric materials that can be prepared starting from the raw by-product by thermal treatment, without any step of purification or pretreatment. Humins foams can be produced with the control of reaction key parameters, obtaining polymeric porous materials with designed porosity, density, thermal and electrical conductivity, chemical and electrical stability, carbon amount and mechanical properties. Physico chemical properties can be enhanced by modifications on the starting raw material or adding different species during the polymerization. A comparisons on the properties of different compositions will be presented, along with tested applications. The authors gratefully acknowledge the European Community for financial support through Marie-Curie H2020-MSCA-ITN-2015 "HUGS" Project.

Keywords: by-product, humins, polymers, valorization

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Authors: Po-Sheng Kuo, Che-Wei Lu, Ssu-Ching Chen

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Chlorinated ethenes (CEs) constitute a predominant contaminant in Taiwan's native polluted sites, particularly in groundwater inundated with sulfate salts that substantially impede remediation efforts. The reduction of sulfate by sulfate-reducing bacteria (SRB) impairs the dechlorination efficiency of Dehalococcoides by generating hydrogen sulfide (H₂S), resulting in incomplete chloride degradation and thereby leading to the failure of bioremediation. In order to elucidate interactions between sulfate reduction and dechlorination, this study aims to establish a co-culture system of Dehalococcoides and SRB, overcoming H₂S inhibition by employing the synthesis of ferrous sulfide (FeS), which is commonly utilized in chemical remediation due to its high reduction potential. Initially, the study demonstrates that the addition of ferrous chloride (FeCl₂) effectively removed H₂S production from SRB and enhanced the degradation of trichloroethylene to ethene. This process overcomes the inhibition caused by H₂S produced by SRB in high sulfate environments. Compared to different concentrations of ferrous dosages for the biogenic generation of FeS, the efficiency was optimized by adding FeCl₂ at an equal ratio to the concentration of sulfate in the environment. This was more effective in removing H₂S and crystal particles under 10 times smaller than those synthesized under excessive FeCl₂ dosages, addressing clogging issues in situ remediation. Finally, utilizing Taiwan's indigenous dechlorinating consortium in a simulated high sulfate-contaminated environment, the biodiversity of microbial species was analyzed to reveal a higher species richness within the FeS group, conducive to ecological stability. This study validates the potential of the co-culture system in generating biogenic FeS under sulfate and CEs co-contamination, removing sulfate-reducing products, and improving CE remediation through integrated chemical and biological remediations.

Keywords: biogenic ferrous sulfide, chlorinated ethenes, Dehalococcoides, sulfate-reducing bacteria, sulfide inhibition

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Authors: Francisco Vidal Vázquez, Pekka Simell, Christian Frilund, Matti Reinikainen, Ilkka Hiltunen, Tim Böltken, Benjamin Andris, Paolo Piermartini

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Carbon capture and utilization (CCU) are one of the key topics in mitigation of CO2 emissions. There are many different technologies that are applied for the production of diverse chemicals from CO2 such as synthetic natural gas, Fischer-Tropsch products, methanol and polymers. Power-to-Gas and Power-to-Liquids concepts arise as a synergetic solution for storing energy and producing value added products from the intermittent renewable energy sources and CCU. VTT is a research and technology development company having energy in transition as one of the key focus areas. VTT has extensive experience in piloting and upscaling of new energy and chemical processes. Recently, VTT has developed and commissioned a Mobile Synthesis Unit (MOBSU) in close collaboration with INERATEC, a spin-off company of Karlsruhe Institute of Technology (KIT, Germany). The MOBSU is a multipurpose synthesis unit for CO2 upgrading to energy carriers and chemicals, which can be transported on-site where CO2 emission and renewable energy are available. The MOBSU is initially used for production of fuel compounds and chemical intermediates by combination of two consecutive processes: reverse Water-Gas Shift (rWGS) and Fischer-Tropsch synthesis (FT). First, CO2 is converted to CO by high-pressure rWGS and then, the CO and H2 rich effluent is used as feed for FT using an intensified reactor technology developed and designed by INERATEC. Chemical equilibrium of rWGS reaction is not affected by pressure. Nevertheless, compression would be required in between rWGS and FT in the case when rWGS is operated at atmospheric pressure. This would also require cooling of rWGS effluent, water removal and reheating. For that reason, rWGS is operated using precious metal catalyst in the MOBSU at similar pressure as FT to simplify the process. However, operating rWGS at high pressures has also some disadvantages such as methane and carbon formation, and more demanding specifications for materials. The main parts of FT module are an intensified reactor, a hot trap to condense the FT wax products, and a cold trap to condense the FT liquid products. The FT synthesis is performed using cobalt catalyst in a novel compact reactor technology with integrated highly-efficient water evaporation cooling cycle. The MOBSU started operation in November 2016. First, the FT module is tested using as feedstock H2 and CO. Subsequently, rWGS and FT modules are operated together using CO2 and H2 as feedstock of ca. 5 Nm3/hr total flowrate. On spring 2017, The MOBSU unit will be integrated together with a direct air capture (DAC) of CO2 unit, and a PEM electrolyser unit at Lappeenranta University of Technology (LUT) premises for demonstration of the SoletAir concept. This would be the first time when synthetic fuels are produced by combination of DAC unit and electrolyser unit which uses solar power for H2 production.

Keywords: CO2 utilization, demonstration, Fischer-Tropsch synthesis, intensified reactors, reverse water-gas shift

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Authors: Rosemary Anibogwu, Kavita Sharma, Karl De Jesus

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Sagebrush is an abundant and naturally occurring plant in the Intermountain West region of the United States. The plant contains an array of bioactive compounds such as flavonoids, terpenoids, sterols, and phenolic acids. It is important to identify and characterize these compounds because Native Americans use sagebrush as herbal medicine. These compounds are also utilized for preventing infection in wounds, treating headaches and colds, and possess antitumor properties. This research is an exploratory study on the sesquiterpene present in the leaves of sagebrush. The leaf foliage was extracted with 100 % chloroform and 100 % methanol. The percentage yield for the crude was considerably higher in chloroform. The Thin Layer Chromatography (TLC) analysis of the crude extracted unveiled a brown band at Rf = 0.25 and a dark brown band at Rf = 0.74, along with three unknown faint bands the 254 nm UV lamp. Furthermore, the two distinct brown (Achillin) and dark brown band (Hydroxyachillin) in TLC were further utilized in the isolation of pure compounds with column chromatography. The structures of Achillin and Hydroxyachillin were elucidated based on extensive spectroscopic analysis, including TLC, High-Performance Liquid Chromatography (HPLC), 1D- and 2D-Nuclear Magnetic Resonance (NMR), and Mass Spectroscopy (MS). The antioxidant activities of crude extract and three pure compounds were evaluated in terms of their peroxyl radical scavenging by Ferric Reducing Ability of Plasma (FRAP) and 1,1-Diphenyl-2-picryl-hydrazyl (DPPH) methods. The crude extract showed the antioxidant activity of 18.99 ± 0.51 µmol TEg -1 FW for FRAP and 11.59 ± 0.38 µmol TEg -1 FW for DPPH. The activities of Achillin, Hydroxyachillin, and Quercetagetin trimethyl ether were 13.03, 15.90 and 14.02 µmol TEg -1 FW respectively for the FRAP assay. The three purified compounds have been submitted to the National Cancer Institute 60 cancer cell line for further study.

Keywords: HPLC, nuclear magnetic resonance spectroscopy, sagebrush, sesquiterpene lactones

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Authors: Lucky Malise, Hilary Rutto, Tumisang Seodigeng

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Heavy metal contamination in waste water is a very serious issue affecting a lot of industrialized countries due to the health and environmental impact of these heavy metals on human life and the ecosystem. Adsorption using activated carbon is the most promising method for the removal of heavy metals from waste water but commercial activated carbon is expensive which gives rise to the need for alternatively activated carbon derived from cheap precursors, agricultural wastes, or byproducts from other processes. In this study activated bio-carbon derived from the carbonaceous material obtained from the pyrolysis of Marula nut shells was chemically activated and used as an adsorbent for the removal of lead (II) and copper (II) ions from aqueous solution. The surface morphology and chemistry of the adsorbent before and after chemical activation with zinc chloride impregnation were studied using SEM and FTIR analysis respectively and the results obtained indicate that chemical activation with zinc chloride improves the surface morphology of the adsorbent and enhances the intensity of the surface oxygen complexes on the surface of the adsorbent. The effect of process parameters such as adsorbent dosage, pH value of the solution, initial metal concentration, contact time, and temperature on the adsorption of lead (II) and copper (II) ions onto Marula nut activated carbon were investigated, and their optimum operating conditions were also determined. The experimental data was fitted to both the Langmuir and Freundlich isotherm models, and the data fitted best on the Freundlich isotherm model for both metal ions. The adsorption kinetics were also evaluated, and the experimental data fitted the pseudo-first order kinetic model better than the pseudo second-order kinetic model. The adsorption thermodynamics were also studied and the results indicate that the adsorption of lead and copper ions is spontaneous and exothermic in nature, feasible, and also involves a dissociative mechanism in the temperature range of 25-45 °C.

Keywords: adsorption, isotherms, kinetics, marula nut shells activated carbon, thermodynamics

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Authors: B. M. Pardeshi

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Introduction: Minerals and trace elements are chemical elements required by our bodies for numerous biological and physiological processes that are necessary for the maintenance of health. Medicinal plants are highly beneficial for the maintenance of good health and prevention of diseases. They are known as potential sources of minerals and vitamins. 30 to 40% of today’s conventional drugs used in the medicinal and curative properties of various plants are employed in herbal supplement botanicals, nutraceuticals and drug. Aim: The authors explored the mineral element content of some herbs, because mineral elements may have significant role in the development and treatment of gastrointestinal diseases, and a close connection between the presence or absence of mineral elements and inflammatory mediators was noted. Methods: Present study deals with the elemental analysis of medicinal plants by Instrumental Neutron activation Analysis and Atomic Absorption Spectroscopy. Medicinal herbals prescribed for skin diseases were purchased from markets and were analyzed by Instrumental Neutron Activation Analysis (INAA) using 252Cf Californium spontaneous fission neutron source (flux * 109 n s-1) and the induced activities were counted by γ-ray spectrometry and Atomic Absorption Spectroscopy (AAS) techniques (Perkin Elmer 3100 Model) available at Department of Chemistry University of Pune, INDIA, was used for the measurement of major, minor and trace elements. Results: 15 elements viz. Al, K, Cl, Na, Mn by INAA and Cu, Co, Pb, Ni, Cr, Ca, Fe, Zn, Hg and Cd by AAS were analyzed from different medicinal plants from India. A critical examination of the data shows that the elements Ca , K, Cl, Al, and Fe are found to be present at major levels in most of the samples while the other elements Na, Mn, Cu, Co, Pb, Ni, Cr, Ca, Zn, Hg and Cd are present in minor or trace levels. Conclusion: The beneficial therapeutic effect of the studied herbs may be related to their mineral element content. The elemental concentration in different medicinal plants is discussed.

Keywords: instrumental neutron activation analysis, atomic absorption spectroscopy, medicinal plants, trace elemental analysis, mineral contents

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Authors: E. E. Tereshatov, M. Yu. Boltoeva, V. Mazan, M. F. Volia, C. M. Folden III

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Room temperature ionic liquids (RTILs) are a class of liquid organic salts with melting points below 20 °C that are considered to be environmentally friendly ‘designers’ solvents. Pure hydrophobic ILs are known to extract metallic species from aqueous solutions. The closest analogues of ionic liquids are deep eutectic solvents (DESs), which are a eutectic mixture of at least two compounds with a melting point lower than that of each individual component. DESs are acknowledged to be attractive for organic synthesis and metal processing. Thus, these non-volatile and less toxic compounds are of interest for critical metal extraction. The US Department of Energy and the European Commission consider indium as a key metal. Its chemical homologue, thallium, is also an important material for some applications and environmental safety. The aim of this work is to systematically investigate In and Tl extraction from aqueous solutions into pure fluorinated ILs and hydrophobic DESs. The dependence of the Tl extraction efficiency on the structure and composition of the ionic liquid ions, metal oxidation state, and initial metal and aqueous acid concentrations have been studied. The extraction efficiency of the TlXz3–z anionic species (where X = Cl– and/or Br–) is greater for ionic liquids with more hydrophobic cations. Unexpectedly high distribution ratios (> 103) of Tl(III) were determined even by applying a pure ionic liquid as receiving phase. An improved mathematical model based on ion exchange and ion pair formation mechanisms has been developed to describe the co-extraction of two different anionic species, and the relative contributions of each mechanism have been determined. The first evidence of indium extraction into new quaternary ammonium- and menthol-based hydrophobic DESs from hydrochloric and oxalic acid solutions with distribution ratios up to 103 will be provided. Data obtained allow us to interpret the mechanism of thallium and indium extraction into ILs and DESs media. The understanding of Tl and In chemical behavior in these new media is imperative for the further improvement of separation and purification of these elements.

Keywords: deep eutectic solvents, indium, ionic liquids, thallium

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Authors: Michal Kozubík, Svetlana Síthová

Abstract:

Aim: Aim of this study is to introduce the method of instrumental enrichment to people who works in the helping professions, and show further possibilities of its realization with children from socially disadvantaged backgrounds into society. Methods: We focused on Feuerstein’s Instrumental Enrichment method, its theoretical grounds and practical implementation. We carried out questionnaires and directly observed children from the disadvantaged background in Partizánske district. Results: We outlined the issues of children from disadvantaged social environment and their opportunity of social integration using the method. The findings showed the utility of Feuerstein method. Conclusions: We conclude that Feuerstein methods are very suitable for children from socially disadvantaged background and importance of social workers and special educator co-operation.

Keywords: Feuerstein, inclusion, education, socially disadvantaged background

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Authors: Ruwaida Abdul Rasid, Kevin J. Hughes, Peter J. Henggs, Mohamed Pourkashanian

Abstract:

Heightened concerns over the amount of carbon emitted from coal-related processes are generating shifts to the application of biomass. In co-gasification, where coal is gasified along with biomass, the biomass may be fed together with coal (co-feeding) or an independent biomass gasifier needs to be integrated with the coal gasifier. The main aim of this work is to evaluate the biomass introduction methods in coal co-gasification. This includes the evaluation of biomass concentration input (B0 to B100) and its gasification performance. A process model is developed and simulated in Aspen HYSYS, where both coal and biomass are modeled according to its ultimate analysis. It was found that the syngas produced increased with increasing biomass content for both co-feeding and independent schemes. However, the heating values and heat duties decreases with biomass concentration as more CO2 are produced from complete combustion.

Keywords: aspen HYSYS, biomass, coal, co-gasification modelling, simulation

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Authors: Klio Monokrousou, Maria Giannopoulou

Abstract:

Urban areas, as they have been developed and operate today, are areas of accumulation of a significant amount of people and a large number of activities that generate desires and reasons for traveling. The territorial expansion of the cities as well as the need to preserve the importance of the central city areas lead to the continuous increase of transportation needs which in the limited urban space results in creating serious traffic and operational problems. The modern perception of urban planning is directed towards more holistic approaches and integrated policies that make it economically competitive, socially just and more environmentally friendly. Over the last 25 years, the goal of sustainable transport development has been central to the agenda of any plan or policy for the city. The modern planning of urban space takes into account the economic and social aspects of the city and the importance of the environment to sustainable urban development. In this context, the European Union promotes direct or indirect related interventions according to the cohesion and environmental policies; many countries even had the chance to actually test them. This paper is part of a wider research still in progress and it explores the methods and processes that have been developed towards this direction and presents a review and systematic presentation of this work. The ultimate purpose of this research is to effectively use this review to create a decision making methodological framework which can be the basis of a useful operational tool for sustainable urban planning.

Keywords: methods, sustainable urban development, urban mobility, methodological framework

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Authors: Soumitra Satapathi, Anubhav Raghav

Abstract:

Perovskite solar cell technology has passed through a phase of unprecedented growth in the efficiency scale from 3.8% to above 22% within a half decade. This technology has drawn tremendous research interest. It has been observed that performances of perovskite based solar cells are extremely dependent on the morphology and crystallinity of the perovskite layer. It has also been observed that device lifetime depends on the perovskite morphology; devices with larger perovskite grains degrade slowly than those of the smaller ones. Various methods of perovskite growth have been applied to achieve the most appropriate morphology necessary for high efficient solar cells. The recent progress in morphology optimization by various methods emphasizing on grain sizes, stoichiometry, and ambient compatibility as well as photophysics study in air-processed perovskite solar cells will be discussed.

Keywords: perovskite solar cells, morphology optimization, photophysics study, air-processed solar cells

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Authors: Samar Sheikhelsouk, Dina Abdel Qader, Nada Rizk

Abstract:

The plan of the organization may impede its progress and creativity, especially in the framework of its work in independent environments and fast-shifting markets, unless the leaders and minds of the organization use a set of practices, tools, and techniques encapsulated in so-called “agile methods” or “lightweight” methods. Thus, this research paper examines the agile management approach as a flexible and dynamic approach and its relationship to the administrative ambidexterity at the Alexandria library. The sample of the study is the employees of the Alexandria library. The study is expected to provide both theoretical and practical implications. The current study will bridge the gap between agile management and administrative approaches in the literature. The study will lead managers to comprehend how the role of agile management in establishing administrative ambidexterity in the organization.

Keywords: agile management, administrative innovation, Alexandria library, Egypt

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Authors: Kahil Amar, Boukais Said, Kezmane Ali, Hannachi Naceur Eddine, Hamizi Mohand

Abstract:

The principle of the seismic performance evaluation methods is to provide a measure of capability for a building or set of buildings to be damaged by an earthquake. The common objective of many of these methods is to supply classification criteria. The purpose of this study is to present a method for assessing the seismic performance of structures, based on Pushover method, we are particularly interested in reinforced concrete frame structures, which represent a significant percentage of damaged structures after a seismic event. The work is based on the characterization of seismic movement of the various earthquake zones in terms of PGA and PGD that is obtained by means of SIMQK_GR and PRISM software and the correlation between the points of performance and the scalar characterizing the earthquakes will be developed.

Keywords: seismic performance, pushover method, characterization of seismic motion, harmfulness of the seismic

Procedia PDF Downloads 383