Search results for: surface segregation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 6591

Search results for: surface segregation

6591 Surface Segregation-Inspired Design for Bimetallic Nanoparticle Catalysts

Authors: Yaxin Tang, Mingao Hou, Qian He, Guangfu Luo

Abstract:

Bimetallic nanoparticles serve as a promising class of catalysts with tunable properties suitable for diverse catalytic reactions, yet a comprehensive understanding of their actual structures under operating conditions and the optimal design principles remains largely elusive. In this study, we unveil a prevalent surface segregation phenomenon in nearly 100 platinum-group-element-based bimetallic nanoparticles through first principles-based molecular dynamics simulations. Our findings highlight that two components in a nanoparticle with relatively lower surface energy tend to segregate to the surface. Motivated by this discovery, we propose a deliberate exploitation of surface segregation in designing bimetallic nanoparticle catalysts, aiming for heightened stability and reduced consumption of precious metals. To validate this strategy, we further investigate 36 platinum-based bimetallic nanoparticles for propane dehydrogenation catalysis. Through a systematic examination of catalytic sites on nanoparticles, we identify several systems as top candidates with Pt-enriched surfaces, remarkable thermal stability, and superior catalytic activity for propane dehydrogenation. The insights gained garnered from this study are anticipated to provide a valuable framework for the optimal design of other bimetallic nanoparticles.

Keywords: bimetallic nanoparticles, platinum-group element, catalysis, surface segregation, first-principles calculations

Procedia PDF Downloads 20
6590 Effect of Segregation Pattern of Mn, Si, and C on through Thickness Microstructure and Properties of Hot Rolled Steel

Authors: Waleed M. Al-Othman, Hamid Bayati, Abdullah Al-Shahrani, Haitham Al-Jabr

Abstract:

Pearlite bands commonly form parallel to the surface of the hot rolled steel and have significant influence on the properties of the steel. This study investigated the correlation between segregation pattern of Mn, Si, C and formation of the pearlite bands in hot rolled Gr 60 steel plate. Microstructural study indicated formation of a distinguished thick band at centerline of the plate with number of parallel bands through thickness of the steel plate. The thickness, frequency, and continuity of the bands are reduced from mid-thickness toward external surface of the steel plate. Analysis showed a noticeable increase of C, Si and Mn levels within the bands. Such alloying segregation takes place during metal solidification. EDS analysis verified presence of particles rich in Ti, Nb, Mn, C, N, within the bands. Texture analysis by Electron Backscatter Detector (EBSD) indicated the grains size/misorientation can noticeably change within the bands. Effect of banding on through-thickness properties of the steel was examined by carrying out microhardness, toughness and tensile tests. Results suggest the Mn and C contents are changed in sinusoidal pattern through thickness of the hot rolled plate and pearlite bands are formed at the peaks of this sinusoidal segregation pattern. Changes in grain size/misorientation, formation of highly alloyed particles, and pearlite within these bands, facilitate crack formation along boundaries of these bands.

Keywords: pearlite band, alloying segregation, hot rolling, Ti, Nb, N, C

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6589 From 'Segregation' to 'Integration': The Dynamic Mechanism of Residential Segregation and the Responsive Sustainable Regeneration Methods in China

Authors: Yang Chen

Abstract:

The property-led regeneration has played an important role in the process of rapid urbanization during the past twenty years in China, but it is also been criticized unsustainable as it always focuses on the economic aspect and overlooks the social issues, especially it has exacerbated the residential segregation in the inner city. Based on author’s studying the area around Nanjing railway station, this paper demonstrates that residential segregation indeed exists in the inner city through synthetic analysis on patterns of residents’ living, consumption and welfare, and to some extent, the segregation distribution characteristics represent in a concentric ring model. According to author’s further investigation on the property right and age of the dwelling buildings, the housing-commercialization-led regeneration is defined as the mainspring of the segregation. To solve these problems, the system of sustainable community should be established in both policy and practice, above all, well-designed public facilities including green infrastructure will be appropriate to promote the residential integration and sustainable development in contemporary China.

Keywords: China, dynamic mechanism, residential segregation, sustainable regeneration

Procedia PDF Downloads 424
6588 Elimination of Occupational Segregation By Sex: A Critical Analysis

Authors: Mutiat Temitayo James, Oladapo Olakunle James, Kabiru Oyetunde

Abstract:

This paper examines occupational segregation by sex and sought to justify a case for its elimination or not. In doing this, we found that occupations are categorised among men and women in all parts of the world and this, in turn, affects the labour force participation rate of men and women in different sectors and aspects of the labour market. Data from the previous study shows that women are the most discriminated against as regards occupational segregation as many high profile jobs are regarded as men’s job and women relegated to the background. This has brought about low productivity for women and inequity in the labour market which can hinder the productivity levels of participants. It was however recommended that occupational segregation should be eliminated totally so that men and women alike can choose occupations of their choice irrespective of what gender the society ascribe to such occupation.

Keywords: occupation, gender, gender equality, labour market, segregation, discrimination

Procedia PDF Downloads 1381
6587 Effect of Rotation Rate on Chemical Segregation during Phase Change

Authors: Nouri Sabrina, Benzeghiba Mohamed, Ghezal Abderrahmane

Abstract:

Numerical parametric study is conducted to study the effects of ampoule rotation on the flows and the dopant segregation in vertical Bridgman (VB) crystal growth. Calculations were performed in unsteady state. The extended Darcy model, which includes the time derivative and Coriolis terms, has been employed in the momentum equation. It was found that the convection, and dopant segregation can be affected significantly by ampoule rotation, and the effect is similar to that by an axial magnetic field. Ampoule rotation decreases the intensity of convection and stretches the flow cell axially. When the convection is weak, the flow can be suppressed almost completely by moderate ampoule rotation and the dopant segregation becomes diffusion-controlled. For stronger convection, the elongated flow cell by ampoule rotation may bring dopant mixing into the bulk melt reducing axial segregation at the early stage of the growth. However, if the cellular flow cannot be suppressed completely, ampoule rotation may induce larger radial segregation due to poor mixing.

Keywords: numerical simulation, heat and mass transfer, vertical solidification, chemical segregation

Procedia PDF Downloads 324
6586 Teachers' Preferences on the Issue of Segregation of Gifted Pupils in Czech Educational System

Authors: I. Kočvarová, E. Machů, N. Bártlová

Abstract:

The issue of inclusion - segregation in the current Czech educational system is highly actual due to changes in legislation. It applies primarily to pupils with special educational needs, but it should also apply to pupils with giftedness. The paper presents chosen results of an exploratory survey that was carried out on a convenience sample of 1101 Czech teachers working in lower secondary education (ISCED2). The rate of teachers´ agreement with segregation of gifted pupils in the education system was monitored during this investigation. A validated questionnaire of our own design was used for the purpose of this investigation. The results were compared across groups of teachers in terms of selected variables. Results show that 36,3 % of teachers incline to segregation (rather than inclusion) of gifted pupils. Teachers who are not educated in this field and have no experience in teaching gifted pupils tend to support their segregation more in comparison with other teachers. Teachers of specialized schools for gifted pupils paradoxically agree with segregation to a slightly lesser extent than teachers from traditional schools, but they also manifest the most hesitant attitude in this issue. Preferences for segregation of gifted pupils are not related to attitudes toward gifted pupils or teachers' self-evaluation in terms of care for the gifted. Investigation indicates that the issue of education of gifted children and their inclusion in the educational system needs more space within the further education of teachers.

Keywords: educational system, evaluation, gifted pupil, inclusion, segregation, teacher

Procedia PDF Downloads 298
6585 Investigation of the Grain-Boundary Segregation Transition in the Binary Fe-C Alloy

Authors: Végh Ádám, Mekler Csaba, Dezső András, Szabó Dávid, Stomp Dávid, Kaptay György

Abstract:

Grain boundary segregation transition (GBST) has been calculated by a thermodynamic model in binary alloys. The method is used on cementite (Fe3C) segregation in base-centered cubic (ferrite) iron (Fe) in the Fe-C binary system. The GBST line is shown in the Fe3C lacking part of the phase diagram with high solvent (Fe) concentration. At a lower solute content (C) or at higher temperature the grain boundary is composed mostly of the solvent atoms (Fe). On higher concentration compared to the GBST line or at lower temperature a phase transformation occurs at the grain boundary, the latter mostly composed of the associates (Fe3C). These low-segregation and high-segregation states are first order interfacial phase transitions of the grain boundary and can be transformed into each other reversibly. These occur when the GBST line is crossed by changing the bulk composition or temperature.

Keywords: GBST, cementite, segregation, Fe-C alloy

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6584 Application of Relative Regional Total Energy in Rotary Drums with Axial Segregation Characteristics

Authors: Qiuhua Miao, Peng Huang, Yifei Ding

Abstract:

Particles with different properties tend to be unevenly distributed along an axial direction of the rotating drum, which is usually ignored. Therefore, it is important to study the relationship between axial segregation characteristics and particle crushing efficiency in longer drums. In this paper, a relative area total energy (RRTE) index is proposed, which aims to evaluate the overall crushing energy distribution characteristics. Based on numerical simulation verification, the proposed RRTE index can reflect the overall grinding effect more comprehensively, clearly representing crushing energy distribution in different drum areas. Furthermore, the proposed method is applied to the relation between axial segregation and crushing energy in drums. Compared with the radial section, the collision loss energy of the axial section can better reflect the overall crushing effect in long drums. The axial segregation characteristics directly affect the total energy distribution between medium and abrasive, reducing overall crushing efficiency. Therefore, the axial segregation characteristics should be avoided as much as possible in the crushing of the long rotary drum.

Keywords: relative regional total energy, crushing energy, axial segregation characteristics, rotary drum

Procedia PDF Downloads 52
6583 Horizontal Gender Inequality and Segregation at Workplace in China: Understanding How Implicit and Unconscious Gender Stereotypes Produce and Reinforce Workplace Gender Inequality in China through Interview-Based Qualitative Analysis

Authors: Yiyan Wu

Abstract:

In the past several decades, the market transition in China has brought in not only more opportunities for women in the labor market but also more attention to gender inequality in workplace. Although some pieces of literature have mentioned gender inequality and segregation at workplace in China, the paper looks into the variations of gender inequality and segregation: working women have little feeling about 'hierarchical inequalities', which define the status and position of women at the workplace. However, at the same time, they unconsciously reinforced 'horizontal inequalities', which creates gender segregation across occupations and job titles. Using qualitative interviews with women employers and employees of various occupations and job titles in Eastern and Southern China, this paper finds evidence that working women's understandings of the division of labor based on the characteristics and expectations of women and men are not as a result of rationality and efficiency, but instead, are the products of gendered stereotypes and traditions. However, holding positive views of gender equality at workplace, working women are not aware of the existence and influence of such gendered stereotypes and traditions. By distinguishing the concepts of 'horizontal inequality' and 'hierarchical inequality' with a cultural sociological approach, this paper contributes to the understanding of gender inequality and segregation in contemporary Chinese society. Moreover, this paper explains the logic behind the paradox in which gender inequality and segregation at workplace persist while women are feeling equal.

Keywords: gender equality, segregation, hierarchical inequality, horizontal inequality, China

Procedia PDF Downloads 142
6582 Numerical Simulation of the Rotating Vertical Bridgman Growth

Authors: Nouri Sabrina

Abstract:

Numerical parametric study is conducted to study the effects of ampoule rotation on the flows and the dopant segregation in Vertical Bridgman (VB) crystal growth. Calculations were performed in unsteady state. The extended darcy model, whıch includes the time derivative and coriolis terms, has been employed in the momentum equation. It is found that the convection, and dopant segregation can be affected significantly by ampoule rotation, and the effect is similar to that by an axial magnetıc field. Ampoule rotation decreases the intensity of convection and stretches the flow cell axıally. When the convectıon is weak, the flow can be suppressed almost completely by moderate ampoule rotation and the dopant segregation becomes diffusion-controlled. For stronger convection, the elongated flow cell by ampoule rotation may bring dopant mixing into the bulk melt reducing axial segregation at the early stage of the growth. However, if the cellular flow cannot be suppressed completely, ampoule rotation may induce larger radial segregation due to poor mixing.

Keywords: rotating vertical solidification, Finite Volume Method, heat and mass transfer, porous medium, phase change

Procedia PDF Downloads 399
6581 Development of a Quick On-Site Pass/Fail Test for the Evaluation of Fresh Concrete Destined for Application as Exposed Concrete

Authors: Laura Kupers, Julie Piérard, Niki Cauberg

Abstract:

The use of exposed concrete (sometimes referred to as architectural concrete), keeps gaining popularity. Exposed concrete has the advantage to combine the structural properties of concrete with an aesthetic finish. However, for a successful aesthetic finish, much attention needs to be paid to the execution (formwork, release agent, curing, weather conditions…), the concrete composition (choice of the raw materials and mix proportions) as well as to its fresh properties. For the latter, a simple on-site pass/fail test could halt the casting of concrete not suitable for architectural concrete and thus avoid expensive repairs later. When architects opt for an exposed concrete, they usually want a smooth, uniform and nearly blemish-free surface. For this choice, a standard ‘construction’ concrete does not suffice. An aesthetic surface finishing requires the concrete to contain a minimum content of fines to minimize the risk of segregation and to allow complete filling of more complex shaped formworks. The concrete may neither be too viscous as this makes it more difficult to compact and it increases the risk of blow holes blemishing the surface. On the other hand, too much bleeding may cause color differences on the concrete surface. An easy pass/fail test, which can be performed on the site just before the casting, could avoid these problems. In case the fresh concrete fails the test, the concrete can be rejected. Only in case the fresh concrete passes the test, the concrete would be cast. The pass/fail tests are intended for a concrete with a consistency class S4. Five tests were selected as possible onsite pass/fail test. Two of these tests already exist: the K-slump test (ASTM C1362) and the Bauer Filter Press Test. The remaining three tests were developed by the BBRI in order to test the segregation resistance of fresh concrete on site: the ‘dynamic sieve stability test’, the ‘inverted cone test’ and an adapted ‘visual stability index’ (VSI) for the slump and flow test. These tests were inspired by existing tests for self-compacting concrete, for which the segregation resistance is of great importance. The suitability of the fresh concrete mixtures was also tested by means of a laboratory reference test (resistance to segregation) and by visual inspection (blow holes, structure…) of small test walls. More than fifteen concrete mixtures of different quality were tested. The results of the pass/fail tests were compared with the results of this laboratory reference test and the test walls. The preliminary laboratory results indicate that concrete mixtures ‘suitable’ for placing as exposed concrete (containing sufficient fines, a balanced grading curve etc.) can be distinguished from ‘inferior’ concrete mixtures. Additional laboratory tests, as well as tests on site, will be conducted to confirm these preliminary results and to set appropriate pass/fail values.

Keywords: exposed concrete, testing fresh concrete, segregation resistance, bleeding, consistency

Procedia PDF Downloads 399
6580 Segregation of Domestic Solid Waste: An Evidence of Households’ Knowledge, Attitude, Behavior, and Challenges from Manipal, India

Authors: Vidya Pratap, Seena Biju, A. Keshavdev

Abstract:

The ever-increasing quantity and variety of domestic solid waste pose a major challenge to both households as well as to municipal authorities. In keeping with the Indian Prime Minister’s mission of Swachh Bharat (Clean India), the local municipal administration distributed 2 buckets to each household in a residential colony in Manipal (an educational town in southern India). Households were instructed to segregate their waste into wet and dry waste and keep these buckets at their gate for daily collection. This paper captures the knowledge, attitude, and behavior of 145 households along with the challenges they face in segregating their wastes. Survey representatives self-administered a questionnaire based on 107 variables that gathered demographic details, attitude and behavior constructs, knowledge about waste segregation and method of disposal for organic, recyclable and hazardous wastes. The study used descriptive tools to explore the data. While 95% of the respondents preferred good segregation practices, only 86% of them exhibited such behavior. 88% of the families observed had members who were either graduates or post-graduates whereas only 37% of the families had women who were working. In both attitude and behavior, 63% of the households did not have working women. Also, among those who practiced segregation, 7% were observed to not practice segregation in spite of the lady member being at home (The authors of this study in no way intend to name women as responsible for waste segregation at home; this thought is based on the fact that while in conversation with households, all respondents opined that women lead this activity). The findings of the study are intended to add value to the existing perceptions of the municipality regarding citizen behavior towards policy implementation/improvement. India as a country faces roadblocks at many levels of policy implementation. The findings of this study are meant to contribute/clarify about the Clean India drive.

Keywords: attitude, behavior, knowledge, segregation of domestic waste

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6579 Molecular Migration in Polyvinyl Acetate Matrix: Impact of Compatibility, Number of Migrants and Stress on Surface and Internal Microstructure

Authors: O. Squillace, R. L. Thompson

Abstract:

Migration of small molecules to, and across the surface of polymer matrices is a little-studied problem with important industrial applications. Tackifiers in adhesives, flavors in foods and binding agents in paints all present situations where the function of a product depends on the ability of small molecules to migrate through a polymer matrix to achieve the desired properties such as softness, dispersion of fillers, and to deliver an effect that is felt (or tasted) on a surface. It’s been shown that the chemical and molecular structure, surface free energies, phase behavior, close environment and compatibility of the system, influence the migrants’ motion. When differences in behavior, such as occurrence of segregation to the surface or not, are observed it is then of crucial importance to identify and get a better understanding of the driving forces involved in the process of molecular migration. In this aim, experience is meant to be allied with theory in order to deliver a validated theoretical and computational toolkit to describe and predict these phenomena. The systems that have been chosen for this study aim to address the effect of polarity mismatch between the migrants and the polymer matrix and that of a second migrant over the first one. As a non-polar resin polymer, polyvinyl acetate is used as the material to which more or less polar migrants (sorbitol, carvone, octanoic acid (OA), triacetin) are to be added. Through contact angle measurement a surface excess is seen for sorbitol (polar) mixed with PVAc as the surface energy is lowered compare to the one of pure PVAc. This effect is increased upon the addition of carvon or triacetin (non-polars). Surface micro-structures are also evidenced by atomic force microscopy (AFM). Ion beam analysis (Nuclear Reaction Analysis), supplemented by neutron reflectometry can accurately characterize the self-organization of surfactants, oligomers, aromatic molecules in polymer films in order to relate the macroscopic behavior to the length scales that are amenable to simulation. The nuclear reaction analysis (NRA) data for deuterated OA 20% shows the evidence of a surface excess which is enhanced after annealing. The addition of 10% triacetin, as a second migrant, results in the formation of an underlying layer enriched in triacetin below the surface excess of OA. The results show that molecules in polarity mismatch with the matrix tend to segregate to the surface, and this is favored by the addition of a second migrant of the same polarity than the matrix. As studies have been restricted to materials that are model supported films under static conditions in a first step, it is also wished to address the more challenging conditions of materials under controlled stress or strain. To achieve this, a simple rig and PDMS cell have been designed to stretch the material to a defined strain and to probe these mechanical effects by ion beam analysis and atomic force microscopy. This will make a significant step towards exploring the influence of extensional strain on surface segregation, flavor release in cross-linked rubbers.

Keywords: polymers, surface segregation, thin films, molecular migration

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6578 Photo-Induced Reversible Surface Wettability Analysis of GLAD Synthesized In2O3/TiO2 Heterostructure Nanocolumn

Authors: Pheiroijam Pooja, P. Chinnamuthu

Abstract:

A novel vertical 1D In2O3/TiO2 nanocolumn (NC) axial heterostructure has been successfully synthesized using Glancing Angle Deposition (GLAD) technique inside E-Beam Evaporator chamber. Field emission scanning electron microscope (FESEM) has been used to evaluate the morphology of the structure grown. The estimated length of In2O3/TiO2 NC is ~250 nm and ~300nm for In2O3 and TiO2 respectively with diameter ~60-90 nm. The surface of the heterostructure is porous in nature which can affect the interfacial wettability properties. The grown structure has been further characterized using X-ray Diffraction (XRD) and UV-Visible absorption measurement. The polycrystalline nature of the sample has been examined using XRD with prominent peaks obtained with phase (101) for anatase TiO2 and (211) for In2O3. Here, 1D axial heterostructure NC thus favors efficient segregation of photo-excited carriers due to their type II band alignment between the constituent materials. Moreover, the 1D nanostructure is known for their large surface area and excellent ionic charge transport property. On exposure to UV light illumination, the surface properties of In2O3/TiO2 NC changes whereby the hydrophobic nature of the heterostructure changes to hydrophilic. As a result, the reversible surface wettability of heterostructure on interaction with UV light can give potential applications as antifogging and self-cleaning surfaces.

Keywords: GLAD, heterostructure, In2O3/TiO2 NC, surface wettability

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6577 Self-Compacting White Concrete Mix Design Using the Particle Matrix Model

Authors: Samindi Samarakoon, Ørjan Sletbakk Vie, Remi Kleiven Fjelldal

Abstract:

White concrete facade elements are widely used in construction industry. It is challenging to achieve the desired workability in casting of white concrete elements. Particle Matrix model was used for proportioning the self-compacting white concrete (SCWC) to control segregation and bleeding and to improve workability. The paper presents how to reach the target slump flow while controlling bleeding and segregation in SCWC. The amount of aggregates, binders and mixing water, as well as type and dosage of superplasticizer (SP) to be used are the major factors influencing the properties of SCWC. Slump flow and compressive strength tests were carried out to examine the performance of SCWC, and the results indicate that the particle matrix model could produce successfully SCWC controlling segregation and bleeding.

Keywords: white concrete, particle matrix model, mix design, construction industry

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6576 Study on the Layout of 15-Minute Community-Life Circle in the State of “Community Segregation” Based on Poi: Shengwei Community and Other Two Communities in Chongqing

Authors: Siyuan Cai

Abstract:

This paper takes community segregation during major infectious diseases as the background, based on the physiological needs and safety needs of citizens during home segregation, and based on the selection of convenient facilities and medical facilities as the main research objects. Based on the POI data of public facilities in Chongqing, the spatial distribution characteristics of the convenience and medical facilities in the 15-minute living circle centered on three neighborhoods in Shapingba, namely Shengwei Community, Anju Commmunity and Fengtian Garden Community, were explored by means of GIS spatial analysis. The results show that the spatial distribution of convenience and medical facilities in this area has significant clustering characteristics, with a point-like distribution pattern of "dense in the west and sparse in the east", and a grouped and multi-polar spatial structure. The spatial structure is multi-polar and has an obvious tendency to the intersections and residential areas with dense pedestrian flow. This study provides a preliminary exploration of the distribution of medical and convenience facilities within the 15-minute living circle of a segregated community, which makes up for the lack of spatial research in this area.

Keywords: ArcGIS, community segregation, convenient facilities; distribution pattern, medical facilities, POI, 15-minute community life circle

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6575 Bi-Component Particle Segregation Studies in a Spiral Concentrator Using Experimental and CFD Techniques

Authors: Prudhvinath Reddy Ankireddy, Narasimha Mangadoddy

Abstract:

Spiral concentrators are commonly used in various industries, including mineral and coal processing, to efficiently separate materials based on their density and size. In these concentrators, a mixture of solid particles and fluid (usually water) is introduced as feed at the top of a spiral channel. As the mixture flows down the spiral, centrifugal and gravitational forces act on the particles, causing them to stratify based on their density and size. Spiral flows exhibit complex fluid dynamics, and interactions involve multiple phases and components in the process. Understanding the behavior of these phases within the spiral concentrator is crucial for achieving efficient separation. An experimental bi-component particle interaction study is conducted in this work utilizing magnetite (heavier density) and silica (lighter density) with different proportions processed in the spiral concentrator. The observation separation reveals that denser particles accumulate towards the inner region of the spiral trough, while a significant concentration of lighter particles are found close to the outer edge. The 5th turn of the spiral trough is partitioned into five zones to achieve a comprehensive distribution analysis of bicomponent particle segregation. Samples are then gathered from these individual streams using an in-house sample collector, and subsequent analysis is conducted to assess component segregation. Along the trough, there was a decline in the concentration of coarser particles, accompanied by an increase in the concentration of lighter particles. The segregation pattern indicates that the heavier coarse component accumulates in the inner zone, whereas the lighter fine component collects in the outer zone. The middle zone primarily consists of heavier fine particles and lighter coarse particles. The zone-wise results reveal that there is a significant fraction of segregation occurs in inner and middle zones. Finer magnetite and silica particles predominantly accumulate in outer zones with the smallest fraction of segregation. Additionally, numerical simulations are also carried out using the computational fluid dynamics (CFD) model based on the volume of fluid (VOF) approach incorporating the RSM turbulence model. The discrete phase model (DPM) is employed for particle tracking, thereby understanding the particle segregation of magnetite and silica along the spiral trough.

Keywords: spiral concentrator, bi-component particle segregation, computational fluid dynamics, discrete phase model

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6574 Modeling of Anode Catalyst against CO in Fuel Cell Using Material Informatics

Authors: M. Khorshed Alam, H. Takaba

Abstract:

The catalytic properties of metal usually change by intermixturing with another metal in polymer electrolyte fuel cells. Pt-Ru alloy is one of the much-talked used alloy to enhance the CO oxidation. In this work, we have investigated the CO coverage on the Pt2Ru3 nanoparticle with different atomic conformation of Pt and Ru using a combination of material informatics with computational chemistry. Density functional theory (DFT) calculations used to describe the adsorption strength of CO and H with different conformation of Pt Ru ratio in the Pt2Ru3 slab surface. Then through the Monte Carlo (MC) simulations we examined the segregation behaviour of Pt as a function of surface atom ratio, subsurface atom ratio, particle size of the Pt2Ru3 nanoparticle. We have constructed a regression equation so as to reproduce the results of DFT only from the structural descriptors. Descriptors were selected for the regression equation; xa-b indicates the number of bonds between targeted atom a and neighboring atom b in the same layer (a,b = Pt or Ru). Terms of xa-H2 and xa-CO represent the number of atoms a binding H2 and CO molecules, respectively. xa-S is the number of atom a on the surface. xa-b- is the number of bonds between atom a and neighboring atom b located outside the layer. The surface segregation in the alloying nanoparticles is influenced by their component elements, composition, crystal lattice, shape, size, nature of the adsorbents and its pressure, temperature etc. Simulations were performed on different size (2.0 nm, 3.0 nm) of nanoparticle that were mixing of Pt and Ru atoms in different conformation considering of temperature range 333K. In addition to the Pt2Ru3 alloy we also considered pure Pt and Ru nanoparticle to make comparison of surface coverage by adsorbates (H2, CO). Hence, we assumed the pure and Pt-Ru alloy nanoparticles have an fcc crystal structures as well as a cubo-octahedron shape, which is bounded by (111) and (100) facets. Simulations were performed up to 50 million MC steps. From the results of MC, in the presence of gases (H2, CO), the surfaces are occupied by the gas molecules. In the equilibrium structure the coverage of H and CO as a function of the nature of surface atoms. In the initial structure, the Pt/Ru ratios on the surfaces for different cluster sizes were in range of 0.50 - 0.95. MC simulation was employed when the partial pressure of H2 (PH2) and CO (PCO) were 70 kPa and 100-500 ppm, respectively. The Pt/Ru ratios decrease as the increase in the CO concentration, without little exception only for small nanoparticle. The adsorption strength of CO on the Ru site is higher than the Pt site that would be one of the reason for decreasing the Pt/Ru ratio on the surface. Therefore, our study identifies that controlling the nanoparticle size, composition, conformation of alloying atoms, concentration and chemical potential of adsorbates have impact on the steadiness of nanoparticle alloys which ultimately and also overall catalytic performance during the operations.

Keywords: anode catalysts, fuel cells, material informatics, Monte Carlo

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6573 Trash Dash: An Educational Android Game Application for Proper Waste Segregation

Authors: Marylene S. Eder, Dorothy M. Jao, Paolo Marc Nicolas S. Laspiñas, Pukilan A. Malim, Sarah Jean D. Raterta

Abstract:

Trash Dash is an android game application developed to serve as an alternative tool to practice proper waste segregation for children ages 3 years old and above. The researchers designed the application using Unity 3D and developed the text file that served as the database of the game application. An observation of a pre-school teacher shows that children know how to throw their garbage but they do not know yet how to segregate wastes. After launching the mobile application to K-2 pupils 4 – 5 years of age, the researchers have noticed that children within this age are active and motivated to learn the difference between biodegradable and non-biodegradable. Based on the result of usability test conducted, it was concluded that the game is easy to use and children will most likely use this application frequently. Furthermore, the children may need assistance from their parents and teachers when playing the game. An actual testing of the application has been conducted to different devices as well as functionality test by Thwack Application and it can be concluded that the mobile application can be launched and installed on a device with a minimum API requirement of Gingerbread (2.3.1).

Keywords: waste segregation, android application, biodegradable, non-biodegradable

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6572 Grain Growth in Nanocrystalline and Ultra-Fine Grained Materials

Authors: Haiming Wen

Abstract:

Grain growth is an important and consequential phenomenon that generally occurs in the presence of thermal and/or stress/strain fields. Thermally activated grain growth has been extensively studied and similarly, there are numerous experimental and theoretical studies published describing stress-induced grain growth in single-phase materials. However, studies on grain growth during the simultaneous presence of an elevated temperature and an external stress are very limited, and moreover, grain growth phenomena in materials containing second-phase particles and solute segregation at GBs have received limited attention. This lecture reports on a study of grain growth in the presence of second-phase particles and solute/impurity segregation at grain boundaries (GBs) during high-temperature deformation of an ultra-fine grained (UFG) Al alloy synthesized via consolidation of mechanically milled powders. The mechanisms underlying the grain growth were identified as GB migration and grain rotation, which were accompanied by dynamic recovery and geometric dynamic recrystallization, while discontinuous dynamic recrystallization was not operative. A theoretical framework that incorporates the influence of second-phase particles and solute/impurity segregation at GBs on grain growth in presence of both elevated temperature and external stress is formulated and discussed. The effect of second-phase particles and solute/impurity segregation at GBs on GB migration and grain rotation was quantified using the proposed theoretical framework, indicating that both second-phase particles and solutes/impurities segregated GBs reduce the velocities of GB migration and grain rotation as compared to those in commercially pure Al. Our results suggest that grain growth predicted by the proposed theoretical framework is in agreement with experimental results. Hence, the developed theoretical framework can be applied to quantify grain growth in simultaneous presence of external stress, elevated temperature, GB segregation and second-phase particles, or in presence of one or more of the aforementioned factors.

Keywords: nanocrystalline materials, ultra-fine grained materials, grain growth, grain boundary migration, grain rotation

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6571 Inter-Filling of CaO and MgO Mixed Layer in Surface Behavior of Al-Mg Alloys Containing Al2Ca

Authors: Seong-Ho Ha, Young-Ok Yoon, Shae K. Kim

Abstract:

Oxide layer of normal Al-Mg alloy can be characterized by upper MgO and lower MgAl2O4 spinel. The formation of the MgO outmost layer occurs by the surface segregation of Mg in the initial oxidation. After then, the oxidation is proceeded with the formation of MgA12O4 spinel beneath the MgO. Growth of the oxide layer is accelerated by constant formation of MgA12O4 spinel. On the other hand, the oxidation resistance of Al-Mg alloys can be significantly improved simply by Mg+Al2Ca master alloy use as the Mg alloying element and such an improvement is attributed to the CaO/MgO mixed layer. Al-Mg alloy containing Al2Ca shows CaO as the upper layer and MgO as the lower one without MgA12O4 spinel. Such a dense oxide film acts as a protective layer. However, the CaO/MgO scale has the outmost MgO, partly, after a long time exposure to a harsh oxidation condition. The aim of this study is to investigate the inter-filling behaviour of CaO and MgO mixed layer in oxidation resistance mechanism of Al-Mg alloys containing Al2Ca. The process of outmost MgO layer formation will be clarified.

Keywords: Al-Mg alloy, Al2Ca, oxidation, MgO

Procedia PDF Downloads 249
6570 Modelling Affordable Waste Management Solutions for India

Authors: Pradip Baishya, D. K. Mahanta

Abstract:

Rapid and unplanned urbanisation in most cities of India has progressively increased the problem of managing municipal waste in the past few years. With insufficient infrastructure and funds, Municipalities in most cities are struggling to cope with the pace of waste generated. Open dumping is widely in practice as a cheaper option. Scientific disposal of waste in such a large scale with the elements of segregation, recycling, landfill, and incineration involves sophisticated and expensive plants. In an effort to finding affordable and simple solutions to address this burning issue of waste disposal, a semi-mechanized plant has been designed underlying the concept of a zero waste community. The fabrication work of the waste management unit is carried out by local skills from locally available materials. A resident colony in the city of Guwahati has been chosen, which is seen as a typical representative of most cities in India in terms of size and key issues surrounding waste management. Scientific management and disposal of waste on site is carried out on the principle of reduce, reuse and recycle from segregation to compositing. It is a local community participatory model, which involves all stakeholders in the process namely rag pickers, residents, municipality and local industry. Studies were conducted to testify the plant as revenue earning self-sustaining model in the long term. Current working efficiency of plant for segregation was found to be 1kg per minute. Identifying bottlenecks in the success of the model, data on efficiency of the plant, economics of its fabrication were part of the study. Similar satellite waste management plants could potentially be a solution to supplement the waste management system of municipalities of similar sized cities in India or South East Asia with similar issues surrounding waste disposal.

Keywords: affordable, rag pickers, recycle, reduce, reuse, segregation, zero waste

Procedia PDF Downloads 278
6569 Effects of Surface Topography on Roughness of Glazed Ceramic Substrates

Authors: R. Sarjahani, M. Sheikhattar, S. Javadpour, B. Hashemi

Abstract:

Glazes and their surface characterization is an important subject for ceramic industries. Fabrication of a super smooth surface resistant to stains is a big improvement for those industries. In this investigation, surface topography of popular glazes such as Zircon and Titania based opaque glazes, calcium based matte glaze and transparent glaze has been analyzed by Marsurf M300, SEM, EDS and XRD. Results shows that surface roughness of glazes seriously depends on surface crystallinity, crystal size and shapes.

Keywords: crystallinity, glaze, surface roughness, topography

Procedia PDF Downloads 530
6568 Effect of Segregation on the Reaction Rate of Sewage Sludge Pyrolysis in a Bubbling Fluidized Bed

Authors: A. Soria-Verdugo, A. Morato-Godino, L. M. García-Gutiérrez, N. García-Hernando

Abstract:

The evolution of the pyrolysis of sewage sludge in a fixed and a fluidized bed was analyzed using a novel measuring technique. This original measuring technique consists of installing the whole reactor over a precision scale, capable of measuring the mass of the complete reactor with enough precision to detect the mass released by the sewage sludge sample during its pyrolysis. The inert conditions required for the pyrolysis process were obtained supplying the bed with a nitrogen flowrate, and the bed temperature was adjusted to either 500 ºC or 600 ºC using a group of three electric resistors. The sewage sludge sample was supplied through the top of the bed in a batch of 10 g. The measurement of the mass released by the sewage sludge sample was employed to determine the evolution of the reaction rate during the pyrolysis, the total amount of volatile matter released, and the pyrolysis time. The pyrolysis tests of sewage sludge in the fluidized bed were conducted using two different bed materials of the same size but different densities: silica sand and sepiolite particles. The higher density of silica sand particles induces a flotsam behavior for the sewage sludge particles which move close to the bed surface. In contrast, the lower density of sepiolite produces a neutrally-buoyant behavior for the sewage sludge particles, which shows a proper circulation throughout the whole bed in this case. The analysis of the evolution of the pyrolysis process in both fluidized beds show that the pyrolysis is faster when buoyancy effects are negligible, i.e. in the bed conformed by sepiolite particles. Moreover, sepiolite was found to show an absorbent capability for the volatile matter released during the pyrolysis of sewage sludge.

Keywords: bubbling fluidized bed, pyrolysis, reaction rate, segregation effects, sewage sludge

Procedia PDF Downloads 324
6567 How Digital Empowerment Affects Dissolution of Segmentation Effect and Construction of Opinion Leaders in Isolated Communities: Ethnographic Investigation of Leprosy Rehabilitation Groups

Authors: Lin Zhang

Abstract:

The fear of leprosy has been longstanding throughout the human history. In an era where isolation is practiced as a means of epidemic prevention, the leprosy rehabilitation group has itself become an isolated community with an entrenched metaphor. In the process of new mediatization of the leprosy isolation community, what are the relations among media literacy, the leprosy internalized stigma and social support? To address the question, the “portrait” of leprosy rehabilitation group is re-delineated through two field studies in the “post-leprosy age” in 2012 and 2020, respectively. Taking an isolation community on Si’an Leprosy Island in Dongguan City, Guangdong Province, China as the study object, it is found that new media promotes the dissolution of segregation effect of the leprosy isolation community and the cultivation of opinion leaders by breaking spatial, psychological and social segregation and by building a community of village affairs and public space in the following way: the cured patients with high new media literacy, especially those who use WeChat and other applications and largely rely on new media for information, have a low level of leprosy internalized stigma and a high level of social support, and they are often the opinion leaders inside their community; on the contrary, the cured patients with low new media literacy, a high level of leprosy internalized stigma and a low level of social support are often the followers inside their community. Such effects of dissolution and construction are reflected not only in the vertical differentiation of the same individual at different times, but also in the horizontal differentiation between different individuals at the same time.

Keywords: segregation, the leprosy rehabilitation group, new mediatization, digital empowerment, opinion leaders

Procedia PDF Downloads 148
6566 IoT and Deep Learning approach for Growth Stage Segregation and Harvest Time Prediction of Aquaponic and Vermiponic Swiss Chards

Authors: Praveen Chandramenon, Andrew Gascoyne, Fideline Tchuenbou-Magaia

Abstract:

Aquaponics offers a simple conclusive solution to the food and environmental crisis of the world. This approach combines the idea of Aquaculture (growing fish) to Hydroponics (growing vegetables and plants in a soilless method). Smart Aquaponics explores the use of smart technology including artificial intelligence and IoT, to assist farmers with better decision making and online monitoring and control of the system. Identification of different growth stages of Swiss Chard plants and predicting its harvest time is found to be important in Aquaponic yield management. This paper brings out the comparative analysis of a standard Aquaponics with a Vermiponics (Aquaponics with worms), which was grown in the controlled environment, by implementing IoT and deep learning-based growth stage segregation and harvest time prediction of Swiss Chards before and after applying an optimal freshwater replenishment. Data collection, Growth stage classification and Harvest Time prediction has been performed with and without water replenishment. The paper discusses the experimental design, IoT and sensor communication with architecture, data collection process, image segmentation, various regression and classification models and error estimation used in the project. The paper concludes with the results comparison, including best models that performs growth stage segregation and harvest time prediction of the Aquaponic and Vermiponic testbed with and without freshwater replenishment.

Keywords: aquaponics, deep learning, internet of things, vermiponics

Procedia PDF Downloads 38
6565 Formation and Development of Polyspecies Biofilm on the Surface of Ti-7.5Mo Nanotubes Growth

Authors: Escada A. L. A., Pereira C. A., Jorge A. O. C., Alves Claro A. P. R.

Abstract:

In the present work, a susceptibility and efficacy of the Ti–7.5Mo alloy nanotube and Ti–7.5Mo alloy to bacterial biofilm formation after surface treatment was evaluated. The Ti–7.5Mo alloy was obtained in arc furnace under an argon atmosphere. Ingots were then homogenized under vacuum at 1100 ◦C for 86.4 ks to eliminate chemical segregation and after cold worked discs were cutting. Nanotubes were processed using anodic oxidation in 0.25% NH4F electrolyte solution. Biofilms were grown in discs immersed in sterile brain heart infusion broth (BHI) containing 5% sucrose, inoculated with microbial suspension (106 cells/ml) and incubated for 5 days. Next, the discs were placed in tubes with sterile physiological solution 0.9% sodium chloride (NaCl) and sonicated for to disperse the biofilms. Tenfold serial dilutions were carried and aliquots seeded in selective agar, which were then incubated for 48 h. Then, the numbers CFU/ml (log 10) were counted and analyzed statistically. Scanning electron microscopy (SEM) on discs with biofilms groupswas performed, atomic force microscope (AFM) and contact angle. The results show that there is no difference in bacterial adhesion between Ti–7.5Mo alloy nanotube pure titanium and Ti–7.5Mo alloy.

Keywords: biofilm, titanium alloy, brain heart infusion, scanning electron microscopy

Procedia PDF Downloads 291
6564 Effect of Jet Diameter on Surface Quenching at Different Spatial Locations

Authors: C. Agrawal, R. Kumar, A. Gupta, B. Chatterjee

Abstract:

An experimental investigation has been carried out to study the cooling of a hot horizontal Stainless Steel surface of 3 mm thickness, which has 800±10 °C initial temperature. A round water jet of 22 ± 1 °C temperature was injected over the hot surface through straight tube type nozzles of 2.5-4.8 mm diameter and 250 mm length. The experiments were performed for the jet exit to target surface spacing of 4 times of jet diameter and jet Reynolds number of 5000-24000. The effect of change in jet Reynolds number on the surface quenching has been investigated form the stagnation point to 16 mm spatial location.

Keywords: hot-surface, jet impingement, quenching, stagnation point

Procedia PDF Downloads 575
6563 Surface Modification of Polycarbonate Substrates via Direct Fluorination to Promote the Staining with Methylene Blue

Authors: Haruka Kaji, Jae-Ho Kim, Yonezawa Susumu

Abstract:

The surface of polycarbonate (PC) was modified with fluorine gas at 25℃ and 10-380 Torr for one h. The surface roughness of the fluorinated PC samples was approximately five times larger than that (1.2 nm) of the untreated thing. The results of Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy showed that the bonds (e.g., -C=O and C-Hx) derived from raw PC decreased and were converted into fluorinated bonds (e.g., -CFx) after surface fluorination. These fluorinated bonds showed higher electronegativity according to the zeta potential results. Fluorinated PC could be strained with the methylene blue basic dye because of the increased surface roughness and the negatively charged surface.

Keywords: dyeable layer, polycarbonate, surface fluorination, zeta potential

Procedia PDF Downloads 147
6562 The Determination of the Phosphorous Solubility in the Iron by the Function of the Other Components

Authors: Andras Dezső, Peter Baumli, George Kaptay

Abstract:

The phosphorous is the important components in the steels, because it makes the changing of the mechanical properties and possibly modifying the structure. The phosphorous can be create the Fe3P compounds, what is segregated in the ferrite grain boundary in the intervals of the nano-, or microscale. This intermetallic compound is decreasing the mechanical properties, for example it makes the blue brittleness which means that the brittle created by the segregated particles at 200 ... 300°C. This work describes the phosphide solubility by the other components effect. We make calculations for the Ni, Mo, Cu, S, V, C, Si, Mn, and the Cr elements by the Thermo-Calc software. We predict the effects by approximate functions. The binary Fe-P system has a solubility line, which has a determinating equation. The result is below: lnwo = -3,439 – 1.903/T where the w0 means the weight percent of the maximum soluted concentration of the phosphorous, and the T is the temperature in Kelvin. The equation show that the P more soluble element when the temperature increasing. The nickel, molybdenum, vanadium, silicon, manganese, and the chromium make dependence to the maximum soluted concentration. These functions are more dependent by the elements concentration, which are lower when we put these elements in our steels. The copper, sulphur and carbon do not make effect to the phosphorous solubility. We predict that all of cases the maximum solubility concentration increases when the temperature more and more high. Between 473K and 673 K, in the phase diagram, these systems contain mostly two or three phase eutectoid, and the singe phase, ferritic intervals. In the eutectoid areas the ferrite, the iron-phosphide, and the metal (III)-phospide are in the equilibrium. In these modelling we predicted that which elements are good for avoid the phosphide segregation or not. These datas are important when we make or choose the steels, where the phosphide segregation stopping our possibilities.

Keywords: phosphorous, steel, segregation, thermo-calc software

Procedia PDF Downloads 597