Search results for: quantum chemical methods

Authors: Suzanne Ahmed

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Nanomotors, also commonly referred to as nanorobotics or nanomachines, have garnered considerable research attention due to their numerous potential applications in biomedicine, including drug delivery and microsurgery. Nanomotors typically consist of inorganic or polymeric particles that are powered to undergo motion. These artificial, man-made nanoscale motors operate in the low Reynolds number regime and typically have no moving parts. Several methods have been developed to actuate the motion of nanomotors including magnetic fields, electrical fields, electromagnetic waves, and chemical fuel. Since their introduction in 2012, ultrasonically powered nanomotors have been explored in biocompatible fluids and even within living cells. Due to the common use of ultrasound within the biomedical community for both imaging and therapeutics, the introduction of ultrasonically propelled nanomotors holds significant potential for biomedical applications. In this work, metallic nanomotors are electrochemically plated within porous anodic alumina templates to have a diameter of 300 nm and a length that is 2-4 µm. Nanomotors are placed within an acoustic chamber capable of producing bulk acoustic waves in the ultrasonic range. The motion of nanomotors within biomimetic confines is explored. The control over nanomotor motion is exerted by virtue of the properties of the acoustic signal within these biomimetic confines to control speed, modes of motion and directionality of motion. To expand the range of control over nanorod motion within biomimetic confines, external forces from biocompatible magnetic fields, are exerted onto the acoustically propelled nanomotors.

Keywords: nanomotors, nanomachines, nanorobots, ultrasound

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Authors: Vanessa G. P. Severino, Eliangela Cristina Candida Costa, Nubia Alves Mariano Teixeira Pires Gomides, Lucilia Kato, Afif Felix Monteiro, Maria Anita Lemos Vasconcelos Ambrosio, Carlos Henrique Gomes Martins

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One of the biomes present in Brazil is known as Cerrado, which is a vast tropical savanna ecoregion, particularly in the states of Goiás, Mato Grosso do Sul, Mato Grosso, Tocantins and Minas Gerais. Many species of plants are characterized as endemic and they have therapeutic value for a large part of the population, especially to the rural communities. Given that, the southeastern region of the state of Goiás contains about 21 rural communities, which present a form of organization based on the use of natural resources available. One of these rural communities is named of Coqueiros, where the knowledge about the medicinal plants was very important to this research. Thus, this study focuses on the ethnobotanical survey of this community on the use of Kielmeyera coriacea to treat diseases. From the 37 members interviewed, 76% indicated this species for the treatment of intestinal infection, leukemia, anemia, gastritis, gum pain, toothache, cavity, arthritis, arthrosis, healing, vermifuge, rheumatism, antibiotic, skin problems, mycoses and all kinds of infections. The medicinal properties attributed during the interviews were framed in the body system (disease categories), adapted from ICD 10; thus, 20 indications of use were obtained, among five body systems. Therefore, the root of this species was select to chemical and biological (antioxidant and antimicrobial) studies. From the liquid-liquid extraction of ethanolic extract of root (EER), the hexane (FH), ethyl acetate (FAE), and hydro alcoholic (FHA) fractions were obtained. The chemical profile study of these fractions was performed by LC-MS, identifying major compounds such as δ-tocotrienol, prenylated acylphoroglucinol, 2-hydroxy-1-methoxyxanthone and quercitrin. EER, FH, FAE and FHA were submitted to biological tests. FHA presented the best antioxidant action (EC50 201.53 μg mL-1). EER inhibited the bacterial growth of Streptococcus pyogenes and Pseudomonas aeruginosa, microorganisms associated with rheumatism, at Minimum Inhibitory Concentration (MIC) of 6.25 μg mL-1. In addition, the FH-10 subfraction, obtained from FH fractionation, presented MIC of 1.56 μg mL-1 against S. pneumoniae; EER also inhibited the fungus Candida glabrata (MIC 7.81 μg mL- 1). The FAE-4.7.3 fraction, from the fractionation of FAE, presented MIC of 200 μg mL-1 against Lactobacillus casei, which is one of the causes of caries and oral infections. By the correlation of the chemical and biological data, it is possible to note that the FAE-4.7.3 and FH-10 are constituted 4-hydroxy-2,3-methylenedioxy xanthone, 3-hydroxy-1,2-dimethoxy xanthone, lupeol, prenylated acylphoroglucinol and quercitrin, which could be associated with the biological potential found. Therefore, this study provides an important basis for further investigations regarding the compounds present in the active fractions of K. coriacea, which will permit the establishment of a correlation between ethnobotanical survey and bioactivity.

Keywords: biological activity, ethnobotanical survey, Kielmeyera coriacea Mart., LC-MS profile

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Authors: O. A. Adeyeye, E. R. Sadiku, Selvam Sellamuthu Periyar, Babu Perumal Anand, B. Nambiar Reshma

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Mango is a tropical fruit which is often labelled as ‘super-fruit’ because of its unquantifiable benefits to human beings. However, despite its great importance, mango is a seasonal fruit, and only very few off-seasonal species are available in the market for consumption. Therefore, in order to overcome the seasonal variation and to increase the shelf-life of mango fruits, different drying methods are considered In this study, freeze drying and tray drying methods were used to preserve two different cultivars of mango from South Africa. Moisture content, total soluble solid, ascorbic acid, total phenol content (TPC), antioxidant activity (DPPH) and organoleptic tests were carried out on the samples before and after drying. The effects of different edible preservatives and selected packaging materials used were analyzed on each sample. The result showed that freeze drying method is the best method of preserving the selected cultivar.

Keywords: postharvest, mangos, cultivar, total soluble solid, total phenol content, antioxidant

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Authors: Menouni Aziza, Chbihi Kaoutar, Duca Radu Corneliu, Gilissen Liesbeth, Bounou Salim, Godderis Lode, El Jaafari Samir

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In Africa, environmental and occupational health risks are mostly underreported. The aim of this research is to develop and implement a sentinel surveillance system comprising training and guidance of occupational physicians (OC) who will report new work-related diseases in African countries. A group of 30 OC are recruited and trained in each of the partner countries (Morocco, Benin and Ethiopia). Each committed OC is asked to recruit 50 workers during a consultation in a time-frame of 6 months (1500 workers per country). Workers are asked to fill out an online questionnaire about their health status and work conditions, including exposure to 20 chemicals. Urine and blood samples are then collected for human biomonitoring of common exposures. Some preliminary results showed that 92% of the employees surveyed are exposed to physical constraints, 44% to chemical agents, and 24% to biological agents. The most common physical constraints are manual handling of loads, noise pollution and thermal pollution. The most frequent chemical risks are exposure to pesticides and fuels. This project will allow a better understanding of effective sentinel systems as a promising method to gather high quality data, which can support policy-making in terms of preventing emerging work-related diseases.

Keywords: sentinel system, occupational diseases, human biomonitoring, Africa

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Authors: Chandan Kundu, Sankar Bhattacharya

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A significant disadvantage of fossil fuel energy production is the considerable amount of carbon dioxide (CO₂) released, which is one of the contributors to climate change. Apart from environmental concerns, changing fossil fuel prices have pushed society gradually towards renewable energy sources in recent years. Biomass is a plentiful and renewable resource and a source of carbon. Recent years have seen increased research interest in generating fuels and chemicals from biomass. Unlike fossil-based resources, biomass is composed of lignocellulosic material, which does not contribute to the increase in atmospheric CO₂ over a longer term. These considerations contribute to the current move of the chemical industry from non-renewable feedstock to renewable biomass. This presentation focuses on generating bio-oil and two major platform chemicals that can potentially improve the environment. Thermochemical processes such as pyrolysis are considered viable methods for producing bio-oil and biomass-based platform chemicals. Fluidized bed reactors, on the other hand, are known to boost bio-oil yields during pyrolysis due to their superior mixing and heat transfer features, as well as their scalability. This review and the associated experimental work are focused on the thermochemical conversion of biomass to bio-oil and two high-value platform chemicals, Levoglucosenone (LGO) and 5-Chloromethyl furfural (5-CMF), in a fluidized bed reactor. These two active molecules with distinct features can potentially be useful monomers in the chemical and pharmaceutical industries since they are well adapted to the manufacture of biologically active products. This process took several meticulous steps. To begin, the biomass was delignified using a peracetic acid pretreatment to remove lignin. Because of its complicated structure, biomass must be pretreated to remove the lignin, increasing access to the carbohydrate components and converting them to platform chemicals. The biomass was then characterized by Thermogravimetric analysis, Synchrotron-based THz spectroscopy, and in-situ DRIFTS in the laboratory. Based on the results, a continuous-feeding fluidized bed reactor system was constructed to generate platform chemicals from pretreated biomass using hydrogen chloride acid-gas as a catalyst. The procedure also yields biochar, which has a number of potential applications, including soil remediation, wastewater treatment, electrode production, and energy resource utilization. Consequently, this research also includes a preliminary experimental evaluation of the biochar's prospective applications. The biochar obtained was evaluated for its CO₂ and steam reactivity. The outline of the presentation will comprise the following: Biomass pretreatment for effective delignification Mechanistic study of the thermal and thermochemical conversion of biomass Thermochemical conversion of untreated and pretreated biomass in the presence of an acid catalyst to produce LGO and CMF A thermo-catalytic process for the production of LGO and 5-CMF in a continuously-fed fluidized bed reactor and efficient separation of chemicals Use of biochar generated from the platform chemicals production through gasification

Keywords: biomass, pretreatment, pyrolysis, levoglucosenone

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Authors: K. Uyanga, W. Daoud

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Hydrogels have attracted much academic and industrial attention due to their unique properties and potential biomedical and non-biomedical applications. Limitations on extending their applications have resulted from the synthesis of hydrogels using toxic materials and complex irreproducible processing techniques. In order to promote environmental sustainability, hydrogel efficiency, and wider application, this study focused on the synthesis of composite hydrogels matrices from an edible non-toxic crosslinker-citric acid (CA) using a simple low energy processing method based on carboxymethyl cellulose (CMC) and chitosan (CSN) natural polymers. Composite hydrogels were developed by chemical crosslinking. The results demonstrated that CMC:2CSN:CA exhibited good performance properties and super-absorbency 21× its original weight. This makes it promising for biomedical applications such as chronic wound healing and regeneration, next generation skin substitute, in situ bone regeneration and cell delivery. On the other hand, CMC:CSN:CA exhibited durable well-structured internal network with minimum swelling degrees, water absorbency, excellent gel fraction, and infra-red reflectance. These properties make it a suitable composite hydrogel matrix for warming effect and controlled and efficient release of loaded materials. CMC:2CSN:CA and CMC:CSN:CA composite hydrogels developed also exhibited excellent chemical, morphological, and thermal properties.

Keywords: citric acid, fumaric acid, tartaric acid, zinc nitrate hexahydrate

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Authors: Rezvan Ravanfar Haghighi, S. Chatterjee, Pratik Kumar, V. C. Vani, Priya Jagia, Sanjiv Sharma, Susama Rani Mandal, R. Lakshmy

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The dual energy computed tomography (DECT) aims at noting the HU(V) values for the sample at two different voltages V=V1, V2 and thus obtain the electron densities (ρe) and effective atomic number (Zeff) of the substance. In the present paper, we aim to obtain a numerical algorithm by which (ρe, Zeff) can be obtained from the HU(100) and HU(140) data, where V=100, 140 kVp. The idea is to use this inversion method to characterize and distinguish between the lipid and fibrous coronary artery plaques.With the idea to develop the inversion algorithm for low Zeff materials, as is the case with non calcified coronary artery plaque, we prepare aqueous samples whose calculated values of (ρe, Zeff) lie in the range (2.65×1023≤ ρe≤ 3.64×1023 per cc ) and (6.80≤ Zeff ≤ 8.90). We fill the phantom with these known samples and experimentally determine HU(100) and HU(140) for the same pixels. Knowing that the HU(V) values are related to the attenuation coefficient of the system, we present an algorithm by which the (ρe, Zeff) is calibrated with respect to (HU(100), HU(140)). The calibration is done with a known set of 20 samples; its accuracy is checked with a different set of 23 known samples. We find that the calibration gives the ρe with an accuracy of ± 4% while Zeff is found within ±1% of the actual value, the confidence being 95%.In this inversion method (ρe, Zeff) of the scanned sample can be found by eliminating the effects of the CT machine and also by ensuring that the determination of the two unknowns (ρe, Zeff) does not interfere with each other. It is found that this algorithm can be used for prediction of chemical characteristic (ρe, Zeff) of unknown scanned materials with 95% confidence level, by inversion of the DECT data.

Keywords: chemical composition, dual-energy computed tomography, inversion algorithm

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Authors: Thabiso M. Sebolai, Victor Mlambo, Solomon Tefera, Othusitse R. Madibela

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In some tree species, sustained herbivory can induce changes in biosynthetic pathways resulting in overproduction of anti-nutritional secondary plant compounds. This inductive mechanism, which has not been demonstrated in semi-arid rangelands of South Africa, may result in browse leaves of lower nutritive value. In this study we investigate the interactive effect of browsing pressure and tree species on chemical composition, buffer nitrogen solubility index (NSI), in vitro ruminal dry matter degradability (IVDMD) and in vitro ruminal N degradability (IVND) of leaves. Leaves from Maytenus capitata, Olea africana, Coddia rudis, Carissa macrocarpa, Rhus refracta, Ziziphus mucronata, Boscia oliedes, Grewia robusta, Phyllanthus vessucosus and Ehretia rigida trees growing in a communal grazing area were harvested at two heights: browsable ( < 1.5 m) and non-browsable ( > 1.5 m), representing high and low browsing pressure, respectively. The type of animals utilizing the communal rangeland includes cattle at 1 livestock unit (450kg)/12 to 15 hectors and goats at 1 livestock unit/4 ha. Harvested leaves were dried, milled and analysed for proximate components, soluble phenolics, condensed tannins, minerals and in vitro ruminal fermentation. A significant plant species and harvesting height interaction effect (P < 0.05) was observed for total nitrogen (N) and soluble phenolics concentration. Tree species and harvesting height affected (P < 0.05) condensed tannin (CTs) content where samples harvested from the non-browsable height had higher (0.61 AU550 nm/200 mg) levels than those harvested at browsable height (0.55 AU550 nm/200 mg) while their interaction had no effects. Macro and micro-minerals were only influenced (P < 0.05) by browse species but not harvesting height. Species and harvesting height interacted (P < 0.05) to influence IVDMD and IVND of leaves at 12, 24 and 36 hours of incubation. The different browse leaves contained moderate to high protein, moderate level of phenolics and minerals, suggesting that they have the potential to provide supplementary nutrients for ruminants during the dry seasons.

Keywords: browse plants, chemical composition, harvesting heights, phenolics

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Authors: Bogusław Schreyer

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The paper enquires on the two methods of the wheeled robot braking torque control. Those two methods are applied when the adhesion coefficient under left side wheels is different from the adhesion coefficient under the right side wheels. In case of the select-low (SL) method the braking torque on both wheels is controlled by the signals originating from the wheels on the side of the lower adhesion. In the select-high (SH) method the torque is controlled by the signals originating from the wheels on the side of the higher adhesion. The SL method is securing stable and secure robot behaviors during the braking process. However, the efficiency of this method is relatively low. The SH method is more efficient in terms of time and braking distance but in some situations may cause wheels blocking. It is important to monitor the velocity of all wheels and then take a decision about the braking torque distribution accordingly. In case of the SH method the braking torque slope may require significant decrease in order to avoid wheel blocking.

Keywords: select-high, select-low, torque distribution, wheeled robots

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Authors: Suzana Leitão Russo, Mayara Laysa de Oliveira Silva, José Augusto Andrade Filho, Vitor Hugo Simon

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Currently, seismic methods and prospecting methods are commonly applied in the oil industry and, according to the information reported every day; oil is a source of non-renewable energy. It is easier to understand why the ownership of areas of oil extraction is coveted by many nations. It is necessary to think about ways that will enable the maximization of oil production. The technique of spectral analysis can be used to analyze the behavior of the variables already defined in oil well the profile. The main objective is to verify the series dependence of variables, and to model the variables using the frequency domain to observe the model residuals.

Keywords: oil, well, spectral analysis, oil extraction

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Authors: Idit Avrahami, Alex Schechter, Lev Zakhvatkin

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This research focuses on developing a compact and light Hydrogen Generator (HG), coupled with fuel cells (FC) to provide a High-Energy-Density Power-Pack (HEDPP) solution, which is 10 times Li-Ion batteries. The HEDPP is designed for portable & off-grid power applications such as Drones, UAVs, stationary off-grid power sources, unmanned marine vehicles, and more. Hydrogen gas provided by this device is delivered in the safest way as a chemical powder at room temperature and ambient pressure is activated only when the power is on. Hydrogen generation is based on a stabilized chemical reaction of Sodium Borohydride (SBH) and water. The proposed solution enables a ‘No Storage’ Hydrogen-based Power Pack. Hydrogen is produced and consumed on-the-spot, during operation; therefore, there’s no need for high-pressure hydrogen tanks, which are large, heavy, and unsafe. In addition to its high energy density, ease of use, and safety, the presented power pack has a significant advantage of versatility and deployment in numerous applications and scales. This patented HG was demonstrated using several prototypes in our lab and was proved to be feasible and highly efficient for several applications. For example, in applications where water is available (such as marine vehicles, water and sewage infrastructure, and stationary applications), the Energy Density of the suggested power pack may reach 2700-3000 Wh/kg, which is again more than 10 times higher than conventional lithium-ion batteries. In other applications (e.g., UAV or small vehicles) the energy density may exceed 1000 Wh/kg.

Keywords: hydrogen energy, sodium borohydride, fixed-wing UAV, energy pack

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Authors: Carolin Lutz, Jörg Matthes, Patrick Waibel, Ulrich Precht, Krassimir Garbev, Günter Beuchle, Uwe Schweike, Peter Stemmermann, Hubert B. Keller

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Online measurement of the product quality is a challenging task in cement production, especially in the production of Celitement, a novel environmentally friendly hydraulic binder. The mineralogy and chemical composition of clinker in ordinary Portland cement production is measured by X-ray diffraction (XRD) and X ray fluorescence (XRF), where only crystalline constituents can be detected. But only a small part of the Celitement components can be measured via XRD, because most constituents have an amorphous structure. This paper describes the development of algorithms suitable for an on-line monitoring of the final processing step of Celitement based on NIR-data. For calibration intermediate products were dried at different temperatures and ground for variable durations. The products were analyzed using XRD and thermogravimetric analyses together with NIR-spectroscopy to investigate the dependency between the drying and the milling processes on one and the NIR-signal on the other side. As a result, different characteristic parameters have been defined. A short overview of the Celitement process and the challenging tasks of the online measurement and evaluation of the product quality will be presented. Subsequently, methods for systematic development of near-infrared calibration models and the determination of the final calibration model will be introduced. The application of the model on experimental data illustrates that NIR-spectroscopy allows for a quick and sufficiently exact determination of crucial process parameters.

Keywords: calibration model, celitement, cementitious material, NIR spectroscopy

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Authors: Kamakshaiah Kolli, R. Seshadri

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Water is a key resource in all economic activities ranging from agriculture to industry. Only a tiny fraction of the planet's abundant water is available to us as fresh water. Assessment of water quality has always been paramount in the field of environmental quality management. It is the foundation for health, hygiene, progress and prosperity. With ever increasing pressure of human population, there is severe stress on water resources. Therefore efficient water management is essential to civil society for betterment of quality of life. The present study emphasizes on the groundwater quality, sources of ground water contamination, variation of groundwater quality and its spatial distribution. The bases for groundwater quality assessment are groundwater bodies and representative monitoring network enabling determination of chemical status of groundwater body. For this study, water samples were collected from various areas of the entire corporation area of Guntur. Water is required for all living organisms of which 1.7% is available as ground water. Water has no calories or any nutrients, but essential for various metabolic activities in our body. Chemical and physical parameters can be tested for identifying the portability of ground water. Electrical conductivity, pH, alkalinity, Total Alkalinity, TDS, Calcium, Magnesium, Sodium, Potassium, Chloride, and Sulphate of the ground water from Guntur district: Different areas of the District were analyzed. Our aim is to check, if the ground water from the above areas are potable or not. As multivariate are present, Data mining technique using JRIP rules was employed for classifying the ground water.

Keywords: groundwater, water quality standards, potability, data mining, JRIP, PCA, classification

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Authors: Sandeep Santosh, O. P. Sahu

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In this paper, performance comparison of wideband covariance matrix sparse representation (W-CMSR) method with other existing wideband Direction of Arrival (DOA) estimation methods has been made.W-CMSR relies less on a priori information of the incident signal number than the ordinary subspace based methods.Consider the perturbation free covariance matrix of the wideband array output. The diagonal covariance elements are contaminated by unknown noise variance. The covariance matrix of array output is conjugate symmetric i.e its upper right triangular elements can be represented by lower left triangular ones.As the main diagonal elements are contaminated by unknown noise variance,slide over them and align the lower left triangular elements column by column to obtain a measurement vector.Simulation results for W-CMSR are compared with simulation results of other wideband DOA estimation methods like Coherent signal subspace method (CSSM), Capon, l1-SVD, and JLZA-DOA. W-CMSR separate two signals very clearly and CSSM, Capon, L1-SVD and JLZA-DOA fail to separate two signals clearly and an amount of pseudo peaks exist in the spectrum of L1-SVD.

Keywords: W-CMSR, wideband direction of arrival (DOA), covariance matrix, electrical and computer engineering

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Authors: Ahmed Abdel Sattar Khalil, Hazem Omar

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Background: Image-guided hepatic interventions are integral to the management of infective and neoplastic liver lesions. Over the past decades, 2D ultrasound was used for guidance of hepatic interventions; with the recent advances in ultrasound technology, 3D ultrasound was used to guide hepatic interventions. The aim of this study was to illustrate the added value of 3D image guided hepatic interventions by x matrix technology. Patients and Methods: This prospective study was performed on 100 patients who were divided into two groups; group A included 50 patients who were managed by 2D ultrasonography probe guidance, and group B included 50 patients who were managed by 3D X matrix ultrasonography probe guidance. Thermal ablation was done for 70 patients, 40 RFA (20 by the 2D probe and 20 by the 3D x matrix probe), and 30 MWA (15 by the 2D probe and 15 by the 3D x matrix probe). Chemical ablation (PEI) was done on 20 patients (10 by the 2D probe and 10 by the 3D x matrix probe). Drainage of hepatic collections and biopsy from undiagnosed hepatic focal lesions was done on 10 patients (5 by the 2D probe and 5 by the 3D x matrix probe). Results: The efficacy of ultrasonography-guided hepatic interventions by 3D x matrix probe was higher than the 2D probe but not significantly higher, with a p-value of 0.705, 0.5428 for RFA, MWA respectively, 0.5312 for PEI, 0.2918 for drainage of hepatic collections and biopsy. The complications related to the use of the 3D X matrix probe were significantly lower than the 2D probe, with a p-value of 0.003. The timing of the procedure was shorter by the usage of 3D x matrix probe in comparison to the 2D probe with a p-value of 0.08,0.34 for RFA and PEI and significantly shorter for MWA, and drainage of hepatic collection, biopsy with a P-value of 0.02,0.001 respectively. Conclusions: 3D ultrasonography-guided hepatic interventions by  x matrix probe have better efficacy, less complication, and shorter time of procedure than the 2D ultrasonography-guided hepatic interventions.

Keywords: 3D, X matrix, 2D, ultrasonography, MWA, RFA, PEI, drainage of hepatic collections, biopsy

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Authors: Ratna Dewi Kusumaningtyas, Riris Pristiyani, Heny Dewajani

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Biodiesel is commonly produced via the two main routes, i.e. the transesterification of triglycerides and the esterification of free fatty acid (FFA) using short-chain alcohols. Both the two routes have drawback in term of the side product yielded during the reaction. Transesterification reaction of triglyceride results in glycerol as side product. On the other hand, FFA esterification brings in water as side product. Both glycerol and water in the biodiesel production are managed as waste. Hence, a separation process is necessary to obtain a high purity biodiesel. Meanwhile, separation processes is generally the most capital and energy intensive part in industrial process. Therefore, to reduce the separation process, it is essential to produce biodiesel via an alternative route eliminating glycerol or water side-products. In this work, biodiesel synthesis was performed using a glycerol-free process through chemical interesterification of jatropha oil with ethyl acetate in the presence on sodium acetate catalyst. By using this method, triacetine, which is known as fuel bio-additive, is yielded instead of glycerol. This research studied the effects of catalyst concentration on the jatropha oil interesterification process in the range of 0.5 – 1.25% w/w oil. The reaction temperature and molar ratio of oil to ethyl acetate were varied at 50, 60, and 70°C, and 1:6, 1:9, 1:15, 1:30, and 1:60, respectively. The reaction time was evaluated from 0 to 8 hours. It was revealed that the best yield was obtained with the catalyst concentration of 0.5%, reaction temperature of 70 °C, molar ratio of oil to ethyl acetate at 1:60, at 6 hours reaction time.

Keywords: biodiesel, interesterification, glycerol-free, triacetine, jatropha oil

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Authors: Nadine Ali Hassan, Ngoc Son Nguyen, Didier Marot, Fateh Bendahmane

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This paper aims at presenting a study of the effect of scalping methods on the mechanical properties of coarse soils by resorting to numerical simulations based on the discrete element method (DEM) and experimental triaxial tests. Two reconstitution methods are used, designated as scalping method and substitution method. Triaxial compression tests are first simulated on a granular materials with a grap graded particle size distribution by using the DEM. We study the effect of these reconstitution methods on the stress-strain behavior of coarse soils with different fine contents and with different ways to control the densities of the scalped and substituted materials. Experimental triaxial tests are performed on original mixtures of sands and gravels with different fine contents and on their corresponding scalped and substituted samples. Numerical results are qualitatively compared to experimental ones. Agreements and discrepancies between these results are also discussed.

Keywords: coarse soils, mechanical behavior, scalping, replacement, triaxial devices

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Authors: Maryam Akbarzadeh, F. Esmaeilzadeh, A. Poostvar, M. Manuchehri

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Preparation of regional input-output tables requires statistical methods combined with high costs and too much time. Obtained estimates by non-statistical methods have low confidence coefficient. Therefore, integrated methods for this purpose are suggested by recent input–output studies. In this study, first GRIT method is introduced as an appropriate integrated method for preparation of input-output table of Fars province. Next, input-output table is prepared for Fars province using this method. Therefore, this study is based on input-output table of national economy in 2001. Necessary modifications performed in the field of changes at level of prices and differences of regional trade compared with other areas at national level. Moreover, up to date statistics and information and technical experts view on the various economic sectors along with input-output table 33 was used in 2011 followed by investigation of general structure of the province economy based on the amounts of added value obtained from this table.

Keywords: grit, input-output, table, regional

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Authors: Celina Pestano-Gabino, Concepcion Gonzalez-Concepcion, M. Candelaria Gil-Fariña

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Some estimation methods for VARMA models, and Multivariate Time Series Models in general, rely on the use of a Hankel matrix. It is known that if the data sample is populous enough and the dimension of the Hankel matrix is unnecessarily large, this may result in an unnecessary number of computations as well as in numerical problems. In this sense, the aim of this paper is two-fold. First, we provide some theoretical results for these matrices which translate into a lower dimension for the matrices normally used in the algorithms. This contribution thus serves to improve those methods from a numerical and, presumably, statistical point of view. Second, we have chosen an estimation algorithm to illustrate in practice our improvements. The results we obtained in a simulation of VARMA models show that an increase in the size of the Hankel matrix beyond the theoretical bound proposed as valid does not necessarily lead to improved practical results. Therefore, for future research, we propose conducting similar studies using any of the linear system estimation methods that depend on Hankel matrices.

Keywords: covariances Hankel matrices, Kronecker indices, system identification, VARMA models

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Authors: Fatai Olakunle Ogundele

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Road construction is increasingly common in today's world as human development expands and people increasingly rely on cars for transportation on a daily basis. The construction of a large network of roads has dramatically altered the landscape and impacted well-being in a number of deleterious ways. In addition, the road can also shift population demographics and be a source of pollution into the environment. Road construction activities normally result in changes in alteration of the soil's physical properties through soil compaction on the road itself and on adjacent areas and chemical and biological properties, among other effects. Understanding roadside soil properties that are influenced by road construction activities can serve as a basis for formulating conservation-based management strategies. Therefore, this study examined the effects of road construction on soil properties and soil organic carbon along Lagos Badagry Expressway, Lagos, Nigeria. The study adopted purposive sampling techniques and 40 soil samples were collected at a depth of 0 – 30cm from each of the identified road intersections and infrastructures using a soil auger. The soil samples collected were taken to the laboratory for soil properties and carbon stock analysis using standard methods. Both descriptive and inferential statistical techniques were applied to analyze the data obtained. The results revealed that soil compaction inhibits ecological succession on roadsides in that increased compaction suppresses plant growth as well as causes changes in soil quality.

Keywords: highway, soil properties, organic carbon, road construction, land degradation

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Authors: Sakinul Islam, Nhol Kao, Sati Bhattacharya, Rahul Gupta

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Nanocrystalline cellulose (NCC) has been widely used for miscellaneous applications due to its superior properties over other nanomaterials. However, the major problems associated with the production of NCC are long reaction time, low production rate and inefficient process. The mass production of NCC within a short period of time is still a great challenge. The main objective of this study is to produce NCC from rice husk agro waste biomass from a high pressure delignification process (HPDP), followed by bleaching and hydrolysis processes. The HPDP has not been explored for NCC production from rice husk biomass (RHB) until now. In order to produce NCC, powder rice husk (PRH) was placed into a stainless steel reactor at 80 ˚C under 5 bars. Aqueous solution of NaOH (4M) was used for the dissolution of lignin and other amorphous impurities from PRH. After certain experimental times (1h, 3.5h and 6h), bleaching and hydrolysis were carried out on delignified samples. NaOCl (20%) and H2SO4 (4M) solutions were used for bleaching and hydrolysis processes, respectively. The NCC suspension from hydrolysis was sonicated and neutralized by buffer solution for various characterisations. Finally NCC suspension was dried and analyzed by FTIR, XRD, SEM, AFM and TEM. The chemical composition of NCC and PRH was estimated by TAPPI (Technical Association of Pulp and Paper Industry) standard methods to observe the product purity. It was found that, the 6h of the HPDP was more efficient to produce good quality NCC than that at 1h and 3.5h due to low separation of non-cellulosic components from RHB. The analyses indicated the crystallinity of NCC to be 71 %, particle size of 20-50 nm (diameter) and 100-200 nm in length.

Keywords: nanocrystalline cellulose, NCC, high pressure delignification, bleaching, hydrolysis, agro-waste biomass

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Authors: Forrest Kaatz, Adhemar Bultheel

Abstract:

We use an informational statistical mechanics approach to study the catalytic thermodynamics of platinum and palladium cuboctahedral nanoclusters. Nanoclusters and their adatoms are viewed as chemical graphs with a nearest neighbor adjacency matrix. We use the Morse potential to determine bond energies between cluster atoms in a coordination type calculation. We use adsorbate energies calculated from density functional theory (DFT) to study the adatom effects on the thermodynamic quantities, which are derived from a Hamiltonian. Oxygen radical and molecular adsorbates are studied on platinum clusters and hydrogen on palladium clusters. We calculate the entropy, free energy, and total energy as the coverage of adsorbates increases from bridge and hollow sites on the surface. Thermodynamic behavior versus adatom coverage is related to the structural distribution of adatoms on the nanocluster surfaces. The thermodynamic functions are characterized using a simple adsorption model, with linear trends as the coverage of adatoms increases. The data exhibits size effects for the measured thermodynamic properties with cluster diameters between 2 and 5 nm. Entropy and enthalpy calculations of Pt-O2 compare well with previous theoretical data for Pt(111)-O2, and our Pd-H results show similar trends as experimental measurements for Pd-H2 nanoclusters. Our methods are general and may be applied to wide variety of nanocluster adsorbate systems.

Keywords: catalytic thermodynamics, palladium nanocluster absorbates, platinum nanocluster absorbates, statistical mechanics

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Authors: Mariam Vardiashvili

Abstract:

The economic value of the asset impairment process is quite large. Impairment reflects the reduction of future economic benefits or service potentials itemized in the asset. The assets owned by public sector entities bring economic benefits or are used for delivery of the free-of-charge services. Consequently, they are classified as cash-generating and non-cash-generating assets. IPSAS 21 - Impairment of non-cash-generating assets, and IPSAS 26 - Impairment of cash-generating assets, have been designed considering this specificity.  When measuring impairment of assets, it is important to select the relevant methods. For measurement of the impaired Non-Cash-Generating Assets, IPSAS 21 recommends three methods: Depreciated Replacement Cost Approach, Restoration Cost Approach, and  Service Units Approach. Impairment of Value in Use of Cash-Generating Assets (according to IPSAS 26) is measured by discounted value of the money sources to be received in future. Value in use of the cash-generating asserts (as per IPSAS 26) is measured by the discounted value of the money sources to be received in the future. The article provides classification of the assets in the public sector  as non-cash-generating assets and cash-generating assets and, deals also with the factors which should be considered when evaluating  impairment of assets. An essence of impairment of the non-financial assets and the methods of measurement thereof evaluation are formulated according to IPSAS 21 and IPSAS 26. The main emphasis is put on different methods of measurement of the value in use of the impaired Cash-Generating Assets and Non-Cash-Generation Assets and the methods of their selection. The traditional and the expected cash flow approaches for calculation of the discounted value are reviewed. The article also discusses the issues of recognition of impairment loss and its reflection in the financial reporting. The article concludes that despite a functional purpose of the impaired asset, whichever method is used for measuring the asset, presentation of realistic information regarding the value of the assets should be ensured in the financial reporting. In the theoretical development of the issue, the methods of scientific abstraction, analysis and synthesis were used. The research was carried out with a systemic approach. The research process uses international standards of accounting, theoretical researches and publications of Georgian and foreign scientists.

Keywords: cash-generating assets, non-cash-generating assets, recoverable (usable restorative) value, value of use

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Authors: Cyril Kaplan, Nikola Jajcay

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We developed purely sonic, musical based, highly customizable EEG neurofeedback environment designed to administer a new neurofeedback training protocol. The training protocol concentrates on improving the ability to switch between several mental states characterized by different levels of arousal, each of them correlated to specific brain wave activity patterns in several specific regions of neocortex. This paper describes the neurofeedback training environment we developed and its specificities, thus can be helpful as a manual to guide other neurofeedback users (both researchers and practitioners) interested in our editable open source program (available to download and usage under CC license). Responses and reaction of first trainees that used our environment are presented in this article. Combination of qualitative methods (thematic analysis of neurophenomenological insights of trainees and post-session semi-structured interviews) and quantitative methods (power spectra analysis of EEG recorded during the training) were employed to obtain a multifaceted view on our new training protocol.

Keywords: EEG neurofeedback, mixed methods, self-regulation, switch-between-states training

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Authors: Madeline W. Miller

Abstract:

The global textile industry produces pollutants in the form of liquid discharge, solid waste, and emissions into the natural environment. Textile waste resulting from garment production and other manufacturing processes makes a significant contribution to the amount of waste landfilled globally. While the majority of curbside and other convenient recycling methods cater to post-consumer paper and plastics, pre-consumer textile waste is often discarded with trash and is commonly classified as ‘other’ in municipal solid waste breakdowns. On a larger scale, many clothing manufacturers and other companies utilizing textiles have not yet identified or began using the most sustainable methods for discarding their post-industrial, pre-consumer waste. To lessen the amount of waste sent to landfills, there are post-industrial, pre-consumer textile waste recycling methods that can be used to give textiles a new life. This process requires that textile and garment manufacturers redirect their waste to companies that use industrial machinery to shred or fiberize these materials in preparation for their second life. The goal of this literature review is to identify the recycling and reuse challenges faced by producers within the clothing and textile industry that prevent these companies from utilizing the described recycling methods, causing them to opt for landfill. The literature analyzed in this review reflects manufacturer sentiments toward waste disposal and recycling. The results of this review indicate that the cost of logistics is the determining factor when it comes to companies recycling their pre-consumer textile waste and that the most applicable and successful textile waste recycling methods require a company separate from the manufacturer to account for waste production, provide receptacles for waste, arrange waste transport, and identify a secondary use for the material at a price-point below that of traditional waste disposal service.

Keywords: leadership demographics, post-industrial textile waste, pre-consumer textile waste, industrial shoddy

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Authors: Sahar Ehsani, David James, Vernon Hodge

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In this experimental study, total selenium in solution was measured with Graphite Furnace Atomic Absorption Spectroscopy, GFAAS, then chemical reactions with sodium borohydride were used to reduce selenite to hydrogen selenide. Hydrogen selenide was then stripped from the solution by purging the solution with nitrogen gas. Since the two main speciations in oxic waters are usually selenite, Se(IV) and selenate, Se(VI), it was assumed that after Se(IV) is removed, the remaining total selenium was Se(VI). Total selenium measured after stripping gave Se(VI) concentration, and the difference of total selenium measured before and after stripping gave Se(IV) concentration. An additional step of reducing Se(VI) to Se(IV) was performed by boiling the stripped solution under acidic conditions, then removing Se(IV) by a chemical reaction with sodium borohydride. This additional procedure of removing Se(VI) from the solution is useful in rare cases where the water sample is reducing and contains selenide speciation. In this study, once Se(IV) and Se(VI) were both removed from the water sample, the remaining total selenium concentration was zero. The method was tested to determine Se(IV) and Se(VI) in both purified water and synthetic irrigation water spiked with Se(IV) and Se(VI). Average recovery of spiked samples of diluted synthetic irrigation water was 99% for Se(IV) and 97% for Se(VI). Detection limits of the method were 0.11 µg L⁻¹ and 0.32 µg L⁻¹ for Se(IV) and Se(VI), respectively.

Keywords: Analytical Method, Graphite Furnace Atomic Absorption Spectroscopy, Selenate, Selenite, Selenium Speciations

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Authors: Jyun-Guo You, Wei-Lung Tseng

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Herein, this study represents a synthetic route for producing highly luminescent AuNCs based on the integration of two concepts, including thiol-induced luminescence enhancement of ligand-insufficient GSH-AuNCs and Ce3+-induced aggregation of GSH-AuNCs. The synthesis of GSH-AuNCs was conducted by modifying the previously reported procedure. To produce more Au(I)-GSH complexes on the surface of ligand-insufficient GSH-AuNCs, the extra GSH is added to attach onto the AuNC surface. The formed ligand-sufficient GSH-AuNCs (LS-GSH-AuNCs) emit relatively strong luminescence. The luminescence of LS-GSH-AuNCs is further enhanced by the coordination of two carboxylic groups (pKa1 = 2 and pKa2 = 3.5) of GSH and lanthanide ions, which induce the self-assembly of LS-GSH-AuNCs. As a result, the quantum yield of the self-assembled LS-GSH-AuNCs (SA-AuNCs) was improved to be 13%. Interestingly, the SA-AuNCs were dissembled into LS-GSH-AuNCs in the presence of adenosine triphosphate (ATP) because of the formation of the ATP- lanthanide ion complexes. Our assay was employed to detect alkaline phosphatase (ALP) activity over the range of 0.1−10 U/mL with a limit of detection (LOD) of 0.03 U/mL.

Keywords: self-assembly, lanthanide ion, adenosine triphosphate, alkaline phosphatase

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Authors: Maysoon Khalil Askar

Abstract:

The delineation of possible areas of corrosion along the external face of an underground oil pipeline in Trunk line of Al- Garraf oil field was investigated using the horizontal electrical resistivity profiling technique and study the contribution of pH, Moisture Content in Soil and Presence chlorides, sulfates and total dissolve salts in soil and water. The test sites represent a physical and chemical properties of soils. The hydrogen-ion concentration of soil and groundwater range from 7.2 to 9.6, and the resistivity values of the soil along the pipeline were obtained using the YH302B model resistivity meter having values between 1588 and 720 Ohm-cm. the chloride concentration in soil and groundwater is high (more than 1000 ppm), total soulable salt is more than 5000 ppm, and sulphate range from 0.17% and 0.98% in soil and more than 600 ppm in groundwater. The soil is poor aeration, the soil texture is fine (clay and silt soil), the water content is high (the groundwater is close to surface), the chloride and sulphate is high in the soil and groundwater, the total soulable salt is high in ground water and finally the soil electric resistivity is low that the soil is very corrosive and there is the possibility of the pipeline failure. These methods applied in the study are quick, economic and efficient for detecting along buried pipelines which need to be protected. Routine electrical geophysical investigations along buried oil pipelines should be undertaken for the early detection and prevention of pipeline failure with its attendant environmental, human and economic consequences.

Keywords: soil resistivity, corrosion, cathodic protection, chloride concentration, water content

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Authors: Seyed Mehdi Ghezi, Hesam Hasanpoor

Abstract:

This scientific article explores enhancement methods for ensemble learning with the aim of improving the performance of classifiers in the analysis and classification of brain signals. The research approach in this field consists of two main parts, each with its own strengths and weaknesses. The choice of approach depends on the specific research question and available resources. By combining these approaches and leveraging their respective strengths, researchers can enhance the accuracy and reliability of classification results, consequently advancing our understanding of the brain and its functions. The first approach focuses on utilizing machine learning methods to identify the best features among the vast array of features present in brain signals. The selection of features varies depending on the research objective, and different techniques have been employed for this purpose. For instance, the genetic algorithm has been used in some studies to identify the best features, while optimization methods have been utilized in others to identify the most influential features. Additionally, machine learning techniques have been applied to determine the influential electrodes in classification. Ensemble learning plays a crucial role in identifying the best features that contribute to learning, thereby improving the overall results. The second approach concentrates on designing and implementing methods for selecting the best classifier or utilizing meta-classifiers to enhance the final results in ensemble learning. In a different section of the research, a single classifier is used instead of multiple classifiers, employing different sets of features to improve the results. The article provides an in-depth examination of each technique, highlighting their advantages and limitations. By integrating these techniques, researchers can enhance the performance of classifiers in the analysis and classification of brain signals. This advancement in ensemble learning methodologies contributes to a better understanding of the brain and its functions, ultimately leading to improved accuracy and reliability in brain signal analysis and classification.

Keywords: ensemble learning, brain signals, classification, feature selection, machine learning, genetic algorithm, optimization methods, influential features, influential electrodes, meta-classifiers

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Authors: S. Pradhan, V. Kumaran

Abstract:

Centrifugal gas separation processes effect separation by utilizing the difference in the mole fraction in a high speed rotating cylinder caused by the difference in molecular mass, and consequently the centrifugal force density. These have been widely used in isotope separation because chemical separation methods cannot be used to separate isotopes of the same chemical species. More recently, centrifugal separation has also been explored for the separation of gases such as carbon dioxide and methane. The efficiency of separation is critically dependent on the secondary flow generated due to temperature gradients at the cylinder wall or due to inserts, and it is important to formulate accurate models for this secondary flow. The widely used Onsager model for secondary flow is restricted to very long cylinders where the length is large compared to the diameter, the limit of high stratification parameter, where the gas is restricted to a thin layer near the wall of the cylinder, and it assumes that there is no mass difference in the two species while calculating the secondary flow. There are two objectives of the present analysis of the rarefied gas flow in a rotating cylinder. The first is to remove the restriction of high stratification parameter, and to generalize the solutions to low rotation speeds where the stratification parameter may be O (1), and to apply for dissimilar gases considering the difference in molecular mass of the two species. Secondly, we would like to compare the predictions with molecular simulations based on the direct simulation Monte Carlo (DSMC) method for rarefied gas flows, in order to quantify the errors resulting from the approximations at different aspect ratios, Reynolds number and stratification parameter. In this study, we have obtained analytical and numerical solutions for the secondary flows generated at the cylinder curved surface and at the end-caps due to linear wall temperature gradient and external gas inflow/outflow at the axis of the cylinder. The effect of sources of mass, momentum and energy within the flow domain are also analyzed. The results of the analytical solutions are compared with the results of DSMC simulations for three types of forcing, a wall temperature gradient, inflow/outflow of gas along the axis, and mass/momentum input due to inserts within the flow. The comparison reveals that the boundary conditions in the simulations and analysis have to be matched with care. The commonly used diffuse reflection boundary conditions at solid walls in DSMC simulations result in a non-zero slip velocity as well as a temperature slip (gas temperature at the wall is different from wall temperature). These have to be incorporated in the analysis in order to make quantitative predictions. In the case of mass/momentum/energy sources within the flow, it is necessary to ensure that the homogeneous boundary conditions are accurately satisfied in the simulations. When these precautions are taken, there is excellent agreement between analysis and simulations, to within 10 %, even when the stratification parameter is as low as 0.707, the Reynolds number is as low as 100 and the aspect ratio (length/diameter) of the cylinder is as low as 2, and the secondary flow velocity is as high as 0.2 times the maximum base flow velocity.

Keywords: rotating flows, generalized onsager and carrier-Maslen model, DSMC simulations, rarefied gas flow

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