Search results for: porous rotating disk
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1159

Search results for: porous rotating disk

799 Thermophoresis Particle Precipitate on Heated Surfaces

Authors: Rebhi A. Damseh, H. M. Duwairi, Benbella A. Shannak

Abstract:

This work deals with heat and mass transfer by steady laminar boundary layer flow of a Newtonian, viscous fluid over a vertical flat plate with variable surface heat flux embedded in a fluid saturated porous medium in the presence of thermophoresis particle deposition effect. The governing partial differential equations are transformed into no-similar form by using special transformation and solved numerically by using an implicit finite difference method. Many results are obtained and a representative set is displaced graphically to illustrate the influence of the various physical parameters on the wall thermophoresis deposition velocity and concentration profiles. It is found that the increasing of thermophoresis constant or temperature differences enhances heat transfer rates from vertical surfaces and increase wall thermophoresis velocities; this is due to favourable temperature gradients or buoyancy forces. It is also found that the effect of thermophoresis phenomena is more pronounced near pure natural convection heat transfer limit; because this phenomenon is directly a temperature gradient or buoyancy forces dependent. Comparisons with previously published work in the limits are performed and the results are found to be in excellent agreement.

Keywords: thermophoresis, porous medium, variable surface heat flux, heat transfer

Procedia PDF Downloads 181
798 Investigation of Mass Transfer for RPB Distillation at High Pressure

Authors: Amiza Surmi, Azmi Shariff, Sow Mun Serene Lock

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In recent decades, there has been a significant emphasis on the pivotal role of Rotating Packed Beds (RPBs) in absorption processes, encompassing the removal of Volatile Organic Compounds (VOCs) from groundwater, deaeration, CO2 absorption, desulfurization, and similar critical applications. The primary focus is elevating mass transfer rates, enhancing separation efficiency, curbing power consumption, and mitigating pressure drops. Additionally, substantial efforts have been invested in exploring the adaptation of RPB technology for offshore deployment. This comprehensive study delves into the intricacies of nitrogen removal under low temperature and high-pressure conditions, employing the high gravity principle via innovative RPB distillation concept with a specific emphasis on optimizing mass transfer. Based on the author's knowledge and comprehensive research, no cryogenic experimental testing was conducted to remove nitrogen via RPB. The research identifies pivotal process control factors through meticulous experimental testing, with pressure, reflux ratio, and reboil ratio emerging as critical determinants in achieving the desired separation performance. The results are remarkable, with nitrogen removal reaching less than one mole% in the Liquefied Natural Gas (LNG) product and less than three moles% methane in the nitrogen-rich gas stream. The study further unveils the mass transfer coefficient, revealing a noteworthy trend of decreasing Number of Transfer Units (NTU) and Area of Transfer Units (ATU) as the rotational speed escalates. Notably, the condenser and reboiler impose varying demands based on the operating pressure, with lower pressures at 12 bar requiring a more substantial duty than the 15-bar operation of the RPB. In pursuit of optimal energy efficiency, a meticulous sensitivity analysis is conducted, pinpointing the ideal combination of pressure and rotating speed that minimizes overall energy consumption. These findings underscore the efficiency of the RPB distillation approach in effecting efficient separation, even when operating under the challenging conditions of low temperature and high pressure. This achievement is attributed to a rigorous process control framework that diligently manages the operational pressure and temperature profile of the RPB. Nonetheless, the study's conclusions point towards the need for further research to address potential scaling challenges and associated risks, paving the way for the industrial implementation of this transformative technology.

Keywords: mass transfer coefficient, nitrogen removal, liquefaction, rotating packed bed

Procedia PDF Downloads 27
797 Evaluation of Lead II Adsorption in Porous Structures Manufactured from Chitosan, Hydroxiapatite and Moringa

Authors: Mishell Vaca, Gema Gonzales, Francisco Quiroz

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Heavy metals present in wastewater constitute a danger for living beings in general. In Ecuador, one of the sources of contamination is artisanal mining whose liquid effluents, in many of the cases without prior treatment, are discharged to the surrounding rivers. Lead is a pollutant that accumulated in the body causes severe health effects. Nowadays, there are several treatment methods to reduce this pollutant. The aim of this study is to reduce the concentration of lead II through the use of a porous material formed by a matrix of chitosan, in which hydroxyapatite and moringa particles smaller than 53 um are suspended. These materials are not toxic to the environment, and each one adsorbs metals independently, so the synergic effect between them will be evaluated. The synthesized material has a cylindrical design that allows increasing the surface area, which is expected to have greater capacity of adsorption. It has been determined that the best conditions for its preparation are to dissolve the chitosan in 1% v/v acetic acid with a pH = 5, then the hydroxyapatite and moringa are added to the mixture with magnetic stirring. This suspension is frozen, lyophilized and finally dried. In order to evaluate the performance of the synthesized material, synthetic solutions of lead are prepared at different concentrations, and the percentage of removal is evaluated. It is expected to have an effluent whose lead content is less than 0.2 mg/L which is the limit maximum allowable according to established environmental standards.

Keywords: adsorption, chitosan, hydroxyapatite, lead, moringa, water treatment

Procedia PDF Downloads 139
796 Development of Hydrodynamic Drag Calculation and Cavity Shape Generation for Supercavitating Torpedoes

Authors: Sertac Arslan, Sezer Kefeli

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In this paper, firstly supercavitating phenomenon and supercavity shape design parameters are explained and then drag force calculation methods of high speed supercavitating torpedoes are investigated with numerical techniques and verified with empirical studies. In order to reach huge speeds such as 200, 300 knots for underwater vehicles, hydrodynamic hull drag force which is proportional to density of water (ρ) and square of speed should be reduced. Conventional heavy weight torpedoes could reach up to ~50 knots by classic underwater hydrodynamic techniques. However, to exceed 50 knots and reach about 200 knots speeds, hydrodynamic viscous forces must be reduced or eliminated completely. This requirement revives supercavitation phenomena that could be implemented to conventional torpedoes. Supercavitation is the use of cavitation effects to create a gas bubble, allowing the torpedo to move at huge speed through the water by being fully developed cavitation bubble. When the torpedo moves in a cavitation envelope due to cavitator in nose section and solid fuel rocket engine in rear section, this kind of torpedoes could be entitled as Supercavitating Torpedoes. There are two types of cavitation; first one is natural cavitation, and second one is ventilated cavitation. In this study, disk cavitator is modeled with natural cavitation and supercavitation phenomenon parameters are studied. Moreover, drag force calculation is performed for disk shape cavitator with numerical techniques and compared via empirical studies. Drag forces are calculated with computational fluid dynamics methods and different empirical methods. Numerical calculation method is developed by comparing with empirical results. In verification study cavitation number (σ), drag coefficient (CD) and drag force (D), cavity wall velocity (U

Keywords: cavity envelope, CFD, high speed underwater vehicles, supercavitation, supercavity flows

Procedia PDF Downloads 156
795 Tribologycal Design by Molecular Dynamics Simulation- The Influence of Porous Surfaces on Wall Slip and Bulk Shear

Authors: Seyedmajid Mehrnia, Maximilan Kuhr, Peter F. Pelz

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Molecular Dynamics (MD) simulation is a proven method to inspect behaviours of lubricant oils in nano-scale gaps. However, most MD simulations on tribology have been performed with atomically smooth walls to determine wall slip and friction properties. This study will investigate the effect of porosity, specifically nano-porous walls, on wall slip properties of hydrocarbon oils confined between two walls in a Couette flow. Different pore geometries will be modelled to investigate the effect on wall slip and bulk shear. In this paper, the Polyalphaolefin (PAO) molecules are confined to a stationary and a moving wall. A hybrid force field consisting of different potential energy functions was employed in this MD simulation. Newton’s law defines how those forces will influence the atoms' movements. The interactions among surface atoms were simulated with an Embedded Atom Method (EAM) potential function which can represent the characteristics of metallic arrangements very strongly. We implemented NERD forcefield for intramolecular potential energy function. Also, Lennard-Jones potential was employed for nonbonded intermolecular interaction.

Keywords: slip length, molecular dynamics, critical shear rate, Couette flow

Procedia PDF Downloads 103
794 Linearization of Y-Force Equation of Rigid Body Equation of Motion and Behavior of Fighter Aircraft under Imbalance Weight on Wings during Combat

Authors: Jawad Zakir, Syed Irtiza Ali Shah, Rana Shaharyar, Sidra Mahmood

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Y-force equation comprises aerodynamic forces, drag and side force with side slip angle β and weight component along with the coupled roll (φ) and pitch angles (θ). This research deals with the linearization of Y-force equation using Small Disturbance theory assuming equilibrium flight conditions for different state variables of aircraft. By using assumptions of Small Disturbance theory in non-linear Y-force equation, finally reached at linearized lateral rigid body equation of motion; which says that in linearized Y-force equation, the lateral acceleration is dependent on the other different aerodynamic and propulsive forces like vertical tail, change in roll rate (Δp) from equilibrium, change in yaw rate (Δr) from equilibrium, change in lateral velocity due to side force, drag and side force components due to side slip, and the lateral equation from coupled rotating frame to decoupled rotating frame. This paper describes implementation of this lateral linearized equation for aircraft control systems. Another significant parameter considered on which y-force equation depends is ‘c’ which shows that any change bought in the weight of aircrafts wing will cause Δφ and cause lateral force i.e. Y_c. This simplification also leads to lateral static and dynamic stability. The linearization of equations is required because much of mathematics control system design for aircraft is based on linear equations. This technique is simple and eases the linearization of the rigid body equations of motion without using any high-speed computers.

Keywords: Y-force linearization, small disturbance theory, side slip, aerodynamic force drag, lateral rigid body equation of motion

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793 Comparison of Different Activators Impact on the Alkali-Activated Aluminium-Silicate Composites

Authors: Laura Dembovska, Ina Pundiene, Diana Bajare

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Alkali-activated aluminium-silicate composites (AASC) can be used in the production of innovative materials with a wide range of properties and applications. AASC are associated with low CO₂ emissions; in the production process, it is possible to use industrial by-products and waste, thereby minimizing the use of a non-renewable natural resource. This study deals with the preparation of heat-resistant porous AASC based on chamotte for high-temperature applications up to 1200°C. Different fillers, aluminium scrap recycling waste as pores forming agent and alkali activation with 6M sodium hydroxide (NaOH) and potassium hydroxide (KOH) solution were used. Sodium hydroxide (NaOH) is widely used for the synthesis of AASC compared to potassium hydroxide (KOH), but comparison of using different activator for geopolymer synthesis is not well established. Changes in chemical composition of AASC during heating were identified and quantitatively analyzed by using DTA, dimension changes during the heating process were determined by using HTOM, pore microstructure was examined by SEM, and mineralogical composition of AASC was determined by XRD. Lightweight porous AASC activated with NaOH have been obtained with density in range from 600 to 880 kg/m³ and compressive strength from 0.8 to 2.7 MPa, but for AAM activated with KOH density was in range from 750 to 850 kg/m³ and compressive strength from 0.7 to 2.1 MPa.

Keywords: alkali activation, alkali activated materials, elevated temperature application, heat resistance

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792 Kinetic Rate Comparison of Methane Catalytic Combustion of Palladium Catalysts Impregnated onto ɤ-Alumina and Bio-Char

Authors: Noor S. Nasri, Eric C. A. Tatt, Usman D. Hamza, Jibril Mohammed, Husna M. Zain

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Climate change has becoming a global environmental issue that may trigger irreversible changes in the environment with catastrophic consequences for human, animals and plants on our planet. Methane, carbon dioxide and nitrous oxide are the greenhouse gases (GHG) and as the main factor that significantly contributes to the global warming. Mainly carbon dioxide be produced and released to atmosphere by thermal industrial and power generation sectors. Methane is dominant component of natural gas releases significant of thermal heat, and the gaseous pollutants when homogeneous thermal combustion takes place at high temperature. Heterogeneous catalytic Combustion (HCC) principle is promising technologies towards environmental friendly energy production should be developed to ensure higher yields with lower pollutants gaseous emissions and perform complete combustion oxidation at moderate temperature condition as comparing to homogeneous high thermal combustion. Hence the principle has become a very interesting alternative total oxidation for the treatment of pollutants gaseous emission especially NOX product formation. Noble metals are dispersed on a support-porous HCC such as γ- Al2O3, TiO2 and ThO2 to increase thermal stability of catalyst and to increase to effectiveness of catalytic combustion. Support-porous HCC material to be selected based on factors of the surface area, porosity, thermal stability, thermal conductivity, reactivity with reactants or products, chemical stability, catalytic activity, and catalyst life. γ- Al2O3 with high catalytic activity and can last longer life of catalyst, is commonly used as the support for Pd catalyst at low temperatures. Sustainable and renewable support-material of bio-mass char was derived from agro-industrial waste material and used to compare with those the conventional support-porous material. The abundant of biomass wastes generated in palm oil industries is one potential source to convert the wastes into sustainable material as replacement of support material for catalysts. Objective of this study was to compare the kinetic rate of reaction the combustion of methane on Palladium (Pd) based catalyst with Al2O3 support and bio-char (Bc) support derived from shell kernel. The 2wt% Pd was prepared using incipient wetness impregnation method and the HCC performance was accomplished using tubular quartz reactor with gas mixture ratio of 3% methane and 97% air. Material characterization was determined using TGA, SEM, and BET surface area. The methane porous-HCC conversion was carried out by online gas analyzer connected to the reactor that performed porous-HCC. BET surface area for prepared 2 wt% Pd/Bc is smaller than prepared 2wt% Pd/ Al2O3 due to its low porosity between particles. The order of catalyst activity based on kinetic rate on reaction of catalysts in low temperature is prepared 2wt% Pd/Bc > calcined 2wt% Pd/ Al2O3 > prepared 2wt% Pd/ Al2O3 > calcined 2wt% Pd/Bc. Hence the usage of agro-industrial bio-mass waste material can enhance the sustainability principle.

Keywords: catalytic-combustion, environmental, support-bio-char material, sustainable and renewable material

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791 Research on the Two-Way Sound Absorption Performance of Multilayer Material

Authors: Yang Song, Xiaojun Qiu

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Multilayer materials are applied to much acoustics area. Multilayer porous materials are dominant in room absorber. Multilayer viscoelastic materials are the basic parts in underwater absorption coating. In most cases, the one-way sound absorption performance of multilayer material is concentrated according to the sound source site. But the two-way sound absorption performance is also necessary to be known in some special cases which sound is produced in both sides of the material and the both sides especially might contact with different media. In this article, this kind of case was research. The multilayer material was composed of viscoelastic layer and steel plate and the porous layer. The two sides of multilayer material contact with water and air, respectively. A theory model was given to describe the sound propagation and impedance in multilayer absorption material. The two-way sound absorption properties of several multilayer materials were calculated whose two sides all contacted with different media. The calculated results showed that the difference of two-way sound absorption coefficients is obvious. The frequency, the relation of layers thickness and parameters of multilayer materials all have an influence on the two-way sound absorption coefficients. But the degrees of influence are varied. All these simulation results were analyzed in the article. It was obtained that two-way sound absorption at different frequencies can be promoted by optimizing the configuration parameters. This work will improve the performance of underwater sound absorption coating which can absorb incident sound from the water and reduce the noise radiation from inside space.

Keywords: different media, multilayer material, sound absorption coating, two-way sound absorption

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790 Fluid Catalytic Cracking: Zeolite Catalyzed Chemical Industry Processes

Authors: Mithil Pandey, Ragunathan Bala Subramanian

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One of the major conversion technologies in the oil refinery industry is Fluid catalytic cracking (FCC) which produces the majority of the world’s gasoline. Some useful products are generated from the vacuum gas oil, heavy gas oil and residue feedstocks by the FCC unit in an oil refinery. Moreover, Zeolite catalysts (zeo-catalysts) have found widespread applications and have proved to be substantial and paradigmatic in oil refining and petrochemical processes, such as FCC because of their porous features. Several famous zeo-catalysts have been fabricated and applied in industrial processes as milestones in history, and have brought on huge changes in petrochemicals. So far, more than twenty types of zeolites have been industrially applied, and their versatile porous architectures with their essential features have contributed to affect the catalytic efficiency. This poster depicts the evolution of pore models in zeolite catalysts which are accompanied by an increase in environmental and demands. The crucial roles of modulating pore models are outlined for zeo-catalysts for the enhancement of their catalytic performances in various industrial processes. The development of industrial processes for the FCC process, aromatic conversions and olefin production, makes it obvious that the pore architecture plays a very important role in zeo-catalysis processes. By looking at the different necessities of industrial processes, rational construction of the pore model is critically essential. Besides, the pore structure of the zeolite would have a substantial and direct effect on the utilization efficiency of the zeo-catalyst.

Keywords: catalysts, fluid catalytic cracking, industrial processes, zeolite

Procedia PDF Downloads 316
789 Thermal Performance of Fully Immersed Naturally Cooled Server

Authors: Yaser Al-Anii, Abdulmajeed Almaneea, Jonathan L. Summers, Harvey M. Thompson, Nikil Kapur

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The natural convection cooling system of a fully immersed server in a dielectric liquid is studied numerically. In the present case study, the dielectric liquid represents working fluid and it is in contact with server inside capsule. The capsule includes electronic component and fluid which can be modeled as saturated porous media. This medium follow Darcy flow regime and assumed to be in balance between its components. The study focus is on role of spatial parameters on thermal behavior of convective heat transfer. Based on server known unit, which is 1U, two parameters Ly and S are changed to test their effect. Meanwhile, wide-range of modified Rayleigh number, which is 0.5 to 300, are covered to better understand thermal performance. Navier-Stokes equations are used to model physical domain. Furthermore, successive over-relaxation and time marching techniques are used to solve momentum and energy equation. From obtained correlation, the in-between distance S is more effective on Nusselt number than distance to edge Ly by approximately 14%. In addition, as S increases, the average Nusselt number of the upper unit increases sharply, whereas the lower one keeps on the same level.

Keywords: convective cooling of server, Darcy flow, liquid-immersed server, porous media

Procedia PDF Downloads 379
788 Effects of Variable Properties and Double Dispersion on Magnetohydrodynamic (MHD) Mixed Convection in a Power-Law Fluid Saturated Non-Darcy Porous Medium

Authors: Pranitha Janapatla, Venkata Suman Gontla

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The present paper investigates the effects of MHD, double dispersion and variable properties on mixed convection flow from a vertical surface in a power-law fluid saturated non-Darcy porous medium. The governing non-linear partial differential equations are reduced to a system of ordinary differential equations by using a special form of Lie group transformations viz. scaling group of transformations. These ordinary differential equations are solved numerically by using Shooting technique. The influence of relevant parameters on the non-dimensional velocity, temperature, concentration for pseudo-plastic fluid, Newtonian and dilatant fluid are discussed and displayed graphically. The behavior of heat and mass transfer coefficients are shown in tabular form. Comparisons with the published works are performed and are found to be in very good agreement. From this analysis, it is observed that an increase in variable viscosity causes to decrease in velocity profile and increase the temperature and concentration distributions. It is also concluded that increase in the solutal dispersion decreases the velocity and concentration but raises the temperature profile.

Keywords: power-law fluid, thermal conductivity, thermal dispersion, solutal dispersion, variable viscosity

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787 A Novel Method to Manufacture Superhydrophobic and Insulating Polyester Nanofibers via a Meso-Porous Aerogel Powder

Authors: Z. Mazrouei-Sebdani, A. Khoddami, H. Hadadzadeh, M. Zarrebini

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Silica aerogels are well-known meso-porous materials with high specific surface area (500–1000 m2/g), high porosity (80–99.8%), and low density (0.003–0.8 g/cm3). However, the silica aerogels generally are highly brittle due to their nanoporous nature. Physical and mechanical properties of the silica aerogels can be enhanced by compounding with the fibers. Although some reports presented incorporation of the fibers into the sol, followed by further modification and drying stages, no information regarding the aerogel powders as filler in the polymeric fibers is available. In this research, waterglass based aerogel powder was prepared in the following steps: sol–gel process to prepare a gel, followed by subsequent washing with propan-2-ol, n-Hexane, and TMCS, then ambient pressure drying, and ball milling. Inspired by limited dust releasing, aerogel powder was introduced to the PET electrospinning solution in an attempt to create required bulk and surface structure for the nano fibers to improve their hydrophobic and insulation properties. The samples evaluation was carried out by measuring density, porosity, contact angle, sliding angle, heat transfer, FTIR, BET and SEM. According to the results, porous silica aerogel powder was fabricated with mean pore diameter of 24 nm and contact angle of 145.9º. The results indicated the usefulness of the aerogel powder confined into nano fibers to control surface roughness for manipulating superhydrophobic nanowebs with sliding angle of 5˚ and water contact angle of 147º. It can be due to a multi-scale surface roughness which was created by nanowebs structure itself and nano fibers surface irregularity in presence of the aerogels while a laye of fluorocarbon created low surface energy. The wettability of a solid substrate is an important property that is controlled by both the chemical composition and geometry of the surface. Also, a decreasing trend in the heat transfer was observed from 22% for the nano fibers without any aerogel powder to 8% for the nano fibers with 4% aerogel powder. The development of thermal insulating materials has become increasingly more important than ever in view of the fossil energy depletion and global warming that call for more demanding energy-saving practices.

Keywords: Superhydrophobicity, Insulation, Sol-gel, Surface energy, Roughness.

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786 Wear Resistance of 20MnCr5 Steel Nitrided by Plasma

Authors: Okba Belahssen, Said Benramache

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This paper presents wear behavior of the plasma-nitrided 20MnCr5 steel. Untreated and plasma nitrided samples were tested. The morphology was observed by scanning electron microscopy (SEM). The plasma nitriding behaviors of 20MnCr5 steel have been assessed by evaluating tribological properties and surface hardness by using a pin-on-disk wear machine and microhardness tester. Experimental results showed that the nitrides ε-Fe2−3N and γ′-Fe4N present in the white layer improve the wear resistance.

Keywords: plasma-nitriding, alloy 20mncr5, steel, friction, wear

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785 3D Nanostructured Assembly of 2D Transition Metal Chalcogenide/Graphene as High Performance Electrocatalysts

Authors: Sunil P. Lonkar, Vishnu V. Pillai, Saeed Alhassan

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Design and development of highly efficient, inexpensive, and long-term stable earth-abundant electrocatalysts hold tremendous promise for hydrogen evolution reaction (HER) in water electrolysis. The 2D transition metal dichalcogenides, especially molybdenum disulfide attracted a great deal of interests due to its high electrocatalytic activity. However, due to its poor electrical conductivity and limited exposed active sites, the performance of these catalysts is limited. In this context, a facile and scalable synthesis method for fabrication nanostructured electrocatalysts composed 3D graphene porous aerogels supported with MoS₂ and WS₂ is highly desired. Here we developed a highly active and stable electrocatalyst catalyst for the HER by growing it into a 3D porous architecture on conducting graphene. The resulting nanohybrids were thoroughly investigated by means of several characterization techniques to understand structure and properties. Moreover, the HER performance of these 3D catalysts is expected to greatly improve in compared to other, well-known catalysts which mainly benefits from the improved electrical conductivity of the by graphene and porous structures of the support. This technologically scalable process can afford efficient electrocatalysts for hydrogen evolution reactions (HER) and hydrodesulfurization catalysts for sulfur-rich petroleum fuels. Owing to the lower cost and higher performance, the resulting materials holds high potential for various energy and catalysis applications. In typical hydrothermal method, sonicated GO aqueous dispersion (5 mg mL⁻¹) was mixed with ammonium tetrathiomolybdate (ATTM) and tungsten molybdate was treated in a sealed Teflon autoclave at 200 ◦C for 4h. After cooling, a black solid macroporous hydrogel was recovered washed under running de-ionized water to remove any by products and metal ions. The obtained hydrogels were then freeze-dried for 24 h and was further subjected to thermal annealing driven crystallization at 600 ◦C for 2h to ensure complete thermal reduction of RGO into graphene and formation of highly crystalline MoS₂ and WoS₂ phases. The resulting 3D nanohybrids were characterized to understand the structure and properties. The SEM-EDS clearly reveals the formation of highly porous material with a uniform distribution of MoS₂ and WS₂ phases. In conclusion, a novice strategy for fabrication of 3D nanostructured MoS₂-WS₂/graphene is presented. The characterizations revealed that the in-situ formed promoters uniformly dispersed on to few layered MoS₂¬-WS₂ nanosheets that are well-supported on graphene surface. The resulting 3D hybrids hold high promise as potential electrocatalyst and hydrodesulfurization catalyst.

Keywords: electrocatalysts, graphene, transition metal chalcogenide, 3D assembly

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784 Effect of Ramp Rate on the Preparation of Activated Carbon from Saudi Date Tree Fronds (Agro Waste) by Physical Activation Method

Authors: Muhammad Shoaib, Hassan M Al-Swaidan

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Saudi Arabia is the major date producer in the world. In order to maximize the production from date tree, pruning of the date trees is required annually. Large amount of this agriculture waste material (palm tree fronds) is available in Saudi Arabia and considered as an ideal source as a precursor for production of activated carbon (AC). The single step procedure for the preparation of micro porous activated carbon (AC) from Saudi date tree fronds using mixture of gases (N2 and CO2) is carried out at carbonization/activation temperature at 850°C and at different ramp rates of 10, 20 and 30 degree per minute. Alloy 330 horizontal reactor is used for tube furnace. Flow rate of nitrogen and carbon dioxide gases are kept at 150 ml/min and 50 ml/min respectively during the preparation. Characterization results reveal that the BET surface area, pore volume, and average pore diameter of the resulting activated carbon generally decreases with the increase in ramp rate. The activated carbon prepared at a ramp rate of 10 degrees/minute attains larger surface area and can offer higher potential to produce activated carbon of greater adsorption capacity from agriculture wastes such as date fronds. The BET surface areas of the activated carbons prepared at a ramp rate of 10, 20 and 30 degree/minute after 30 minutes activation time are 1094, 1020 and 515 m2/g, respectively. Scanning electron microscopy (SEM) for surface morphology, and FTIR for functional groups was carried out that also verified the same trend. Moreover, by increasing the ramp rate from 10 and 20 degrees/min the yield remains same, i.e. 18%, whereas at a ramp rate of 30 degrees/min the yield increases from 18 to 20%. Thus, it is feasible to produce high-quality micro porous activated carbon from date frond agro waste using N2 carbonization followed by physical activation with CO2 and N2 mixture. This micro porous activated carbon can be used as adsorbent of heavy metals from wastewater, NOx SOx emission adsorption from ambient air and electricity generation plants, purification of gases, sewage treatment and many other applications.

Keywords: activated carbon, date tree fronds, agricultural waste, applied chemistry

Procedia PDF Downloads 258
783 Numerical Analysis of CO₂ Storage as Clathrates in Depleted Natural Gas Hydrate Formation

Authors: Sheraz Ahmad, Li Yiming, Li XiangFang, Xia Wei, Zeen Chen

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Holding CO₂ at massive scale in the enclathrated solid matter called hydrate can be perceived as one of the most reliable methods for CO₂ sequestration to take greenhouse gases emission control measures and global warming preventive actions. In this study, a dynamically coupled mass and heat transfer mathematical model is developed which elaborates the unsteady behavior of CO₂ flowing into a porous medium and converting itself into hydrates. The combined numerical model solution by implicit finite difference method is explained and through coupling the mass, momentum and heat conservation relations, an integrated model can be established to analyze the CO₂ hydrate growth within P-T equilibrium conditions. CO₂ phase transition, effect of hydrate nucleation by exothermic heat release and variations of thermo-physical properties has been studied during hydrate nucleation. The results illustrate that formation pressure distribution becomes stable at the early stage of hydrate nucleation process and always remains stable afterward, but formation temperature is unable to keep stable and varies during CO₂ injection and hydrate nucleation process. Initially, the temperature drops due to cold high-pressure CO₂ injection since when the massive hydrate growth triggers and temperature increases under the influence of exothermic heat evolution. Intermittently, it surpasses the initial formation temperature before CO₂ injection initiates. The hydrate growth rate increases by increasing injection pressure in the long formation and it also expands overall hydrate covered length in the same induction period. The results also show that the injection pressure conditions and hydrate growth rate affect other parameters like CO₂ velocity, CO₂ permeability, CO₂ density, CO₂ and H₂O saturation inside the porous medium. In order to enhance the hydrate growth rate and expand hydrate covered length, the injection temperature is reduced, but it did not give satisfactory outcomes. Hence, CO₂ injection in vacated natural gas hydrate porous sediment may form hydrate under low temperature and high-pressure conditions, but it seems very challenging on a huge scale in lengthy formations.

Keywords: CO₂ hydrates, CO₂ injection, CO₂ Phase transition, CO₂ sequestration

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782 Permeable Reactive Pavement for Controlling the Transport of Benzene, Toluene, Ethyl-Benzene, and Xylene (BTEX) Contaminants

Authors: Shengyi Huang, Chenju Liang

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Volatile organic compounds such as benzene, toluene, ethyl-benzene, and xylene (BTEX) are common contaminants in environment, which could come from asphalt concrete or exhaust emissions of vehicles. The BTEX may invade to the subsurface environment via wet and dry atmospheric depositions. If there aren’t available ways for controlling contaminants’ fate and transport, they would extensively harm natural environment. In the 1st phase of this study, various adsorbents were screened for a suitable one to be an additive in the porous asphalt mixture. In the 2nd phase, addition of the selected adsorbent was incorporated with the design of porous asphalt concrete (PAC) to produce the permeable reactive pavement (PRP), which was subsequently tested for the potential of adsorbing aqueous BTEX as compared to the PAC, in the 3rd phase. The PRP was prepared according to the following steps: firstly, the suitable adsorbent was chosen based on the analytical results of specific surface area analysis, thermal-gravimetric analysis, adsorption kinetics and isotherms, and thermal dynamics analysis; secondly, the materials of coarse aggregate, fine aggregate, filler, asphalt, and fiber were tested in order to meet regulated specifications (e.g., water adsorption, soundness, viscosity etc.) for preparing the PRP; thirdly, the amount of adsorbent additive was determined in the PRP; fourthly, the prepared PAC and PRP were examined for their physical properties (e.g., abrasion loss, drain-down loss, Marshall stability, Marshall flow, dynamic stability etc.). As a result of comparison between PRP and PAC, the PRP showed better physical performance than the traditional PAC. At last, the Marshall Specimen column tests were conducted to explore the adsorption capacities of PAC and PRPs. The BTEX adsorption capacities of PRPs are higher than those obtained from traditional PAC. In summary, PRPs showed superior physical performance and adsorption capacities, which exhibit the potential of PRP to be applied as a replacement of PAC for better controlling the transport of non-point source pollutants.

Keywords: porous asphalt concrete, volatile organic compounds, permeable reactive pavement, non-point source pollution

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781 Porous Bluff-Body Disc on Improving the Gas-Mixing Efficiency

Authors: Shun-Chang Yen, You-Lun Peng, Kuo-Ching San

Abstract:

A numerical study on a bluff-body structure with multiple holes was conducted using ANSYS Fluent computational fluid dynamics analysis. The effects of the hole number and jet inclination angles were considered under a fixed gas flow rate and nonreactive gas. The bluff body with multiple holes can transform the axial momentum into a radial and tangential momentum as well as increase the swirl number (S). The concentration distribution in the mixing of a central carbon dioxide (CO2) jet and an annular air jet was utilized to analyze the mixing efficiency. Three bluff bodies with differing hole numbers (H = 3, 6, and 12) and three jet inclination angles (θ = 45°, 60°, and 90°) were designed for analysis. The Reynolds normal stress increases with the inclination angle. The Reynolds shear stress, average turbulence intensity, and average swirl number decrease with the inclination angle. For an unsymmetrical hole configuration (i.e., H = 3), the streamline patterns exhibited an unsymmetrical flow field. The highest mixing efficiency (i.e., the lowest integral gas fraction of CO2) occurred at H = 3. Furthermore, the highest swirl number coincided with the strongest effect on the mass fraction of CO2. Therefore, an unsymmetrical hole arrangement induced a high swirl flow behind the porous disc.

Keywords: bluff body with multiple holes, computational fluid dynamics, swirl-jet flow, mixing efficiency

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780 Characterization of High Carbon Ash from Pulp and Paper mill for Potential Utilization

Authors: Ruma Rano, Firoza Sultana, Bishal Bhuyan, Nurul Alam Mazumder

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Fly ash collected from Cachar Paper Mill, Assam, India has been thoroughly characterized in respect of its physico-chemical, morphological and mineralogical features were concerned by using density, LOI, FTIR, XRD, SEM-EDS etc. The results reveal that there is a striking difference in the features and properties of the coarser and finer fractions .The high carbon ash consists of large unburnt carbon (chars), irregular carbonaceous particles in the coarser fraction, which appear to be porous and may be used as domestic fuel. The percentage of char albeit the carbon content decreases with decrease in size of particles. The various fractions essentially contain quartz and mullite as the main mineral phases. For suggesting the potential utilization channels, number of experiments were performed correlating the total characteristic features. Water holding capacities of different size classified fractions were determined, the coarser fractions have unexpectedly higher water holding capacities than the finer ones. An attempt has been made to correlate the results obtained with potential use in agriculture. Another potential application of coarser particles is used as adsorbent for effluents containing waste organic materials. Thus thorough characterization leads to not only a definite direction about the uses of the value added components but also gives useful information regarding the prevailing combustion process.

Keywords: chars, porous, water holding capacity, combustion process

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779 Heat Transfer and Entropy Generation in a Partial Porous Channel Using LTNE and Exothermicity/Endothermicity Features

Authors: Mohsen Torabi, Nader Karimi, Kaili Zhang

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This work aims to provide a comprehensive study on the heat transfer and entropy generation rates of a horizontal channel partially filled with a porous medium which experiences internal heat generation or consumption due to exothermic or endothermic chemical reaction. The focus has been given to the local thermal non-equilibrium (LTNE) model. The LTNE approach helps us to deliver more accurate data regarding temperature distribution within the system and accordingly to provide more accurate Nusselt number and entropy generation rates. Darcy-Brinkman model is used for the momentum equations, and constant heat flux is assumed for boundary conditions for both upper and lower surfaces. Analytical solutions have been provided for both velocity and temperature fields. By incorporating the investigated velocity and temperature formulas into the provided fundamental equations for the entropy generation, both local and total entropy generation rates are plotted for a number of cases. Bifurcation phenomena regarding temperature distribution and interface heat flux ratio are observed. It has been found that the exothermicity or endothermicity characteristic of the channel does have a considerable impact on the temperature fields and entropy generation rates.

Keywords: entropy generation, exothermicity or endothermicity, forced convection, local thermal non-equilibrium, analytical modelling

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778 Functionally Modified Melt-Electrospun Thermoplastic Polyurethane (TPU) Mats for Wound-Dressing Applications

Authors: Christoph Hacker, Zeynep Karahaliloglu, Gunnar Seide, Emir Baki Denkbas, Thomas Gries

Abstract:

A wound dressing material is designed to facilitate wound healing and minimize scarring. An ideal wound dressing material should protect the wound from any contaminations of exogeneous microorganism. In addition, the dressing material should provide a moist environment through extraction of body fluid from the wound area. Recently, wound dressing electrospun nanofibrous membranes are produced by electrospinning from a polymer solution or a polymer melt. These materials have a great potential as dressing materials for wound healing because of superior properties such as high surface-to-volume ratio, high porosity with excellent pore interconnectivity. Melt electrospinning is an attractive tissue engineering scaffold manufacturing process which eliminated the health risk posed by organic solvents used in electrospinning process and reduced the production costs. In this study, antibacterial wound dressing materials were prepared from TPU (Elastollan 1185A) by a melt-electrospinning technique. The electrospinning parameters for an efficient melt-electrospinning process of TPU were optimized. The surface of the fibers was modified with poly(ethylene glycol) (PEG) by radio-frequency glow discharge plasma deposition method and with silver nanoparticles (nAg) to improve their wettability and antimicrobial properties. TPU melt-electrospun mats were characterized using SEM, DSC, TGA and XPS. The cell viability and proliferation on modified melt-electrospun TPU mats were evaluated using a mouse fibroblast cell line (L929). Antibacterial effects of theirs against both Staphylococcus aureus strain and Escherichia coli were investigated by disk-diffusion method. TPU was successfully processed into a porous, fibrous network of beadless fibers in the micrometer range (4.896±0.94 µm) with a voltage of 50 kV, a working distance of 6 cm, a temperature of the thermocouple and hot coil of 225–230ºC, and a flow rate of 0.1 mL/h. The antibacterial test indicated that PEG-modified nAg-loaded TPU melt-electrospun structure had excellent antibacterial effects and cell study results demonstrated that nAg-loaded TPU mats had no cytotoxic effect on the fibroblast cells. In this work, the surface of a melt-electrospun TPU mats was modified via PEG monomer and then nAg. Results showed melt-electrospun TPU mats modified with PEG and nAg have a great potential for use as an antibacterial wound dressing material and thus, requires further investigation.

Keywords: melt electrospinning, nanofiber, silver nanoparticles, wound dressing

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777 Physical Properties and Resistant Starch Content of Rice Flour Residues Hydrolyzed by α-Amylase

Authors: Waranya Pongpaiboon, Warangkana Srichamnong, Supat Chaiyakul

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Enzymatic modification of rice flour can produce highly functional derivatives use in food industries. This study aimed to evaluate the physical properties and resistant starch content of rice flour residues hydrolyzed by α-amylase. Rice flour hydrolyzed by α-amylase (60 and 300 u/g) for 1, 24 and 48 hours were investigated. Increasing enzyme concentration and hydrolysis time resulted in decreased rice flour residue’s lightness (L*) but increased redness (a*) and yellowness (b*) of rice flour residues. The resistant starch content and peak viscosity increased when hydrolysis time increased. Pasting temperature, trough viscosity, breakdown, final viscosity, setback and peak time of the hydrolyzed flours were not significantly different (p>0.05). The morphology of native flour was smooth without observable pores and polygonal with sharp angles and edges. However, after hydrolysis, granules with a slightly rough and porous surface were observed and a rough and porous surface was increased with increasing hydrolyzed time. The X-ray diffraction patterns of native flour showed A-type configuration, which hydrolyzed flour showed almost 0% crystallinity indicated that both amorphous and crystalline structures of starch were simultaneously hydrolyzed by α-amylase.

Keywords: α-Amylase, enzymatic hydrolysis, pasting properties, resistant starch

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776 Primary-Color Emitting Photon Energy Storage Nanophosphors for Developing High Contrast Latent Fingerprints

Authors: G. Swati, D. Haranath

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Commercially available long afterglow /persistent phosphors are proprietary materials and hence the exact composition and phase responsible for their luminescent characteristics such as initial intensity and afterglow luminescence time are not known. Further to generate various emission colors, commercially available persistence phosphors are physically blended with fluorescent organic dyes such as rodhamine, kiton and methylene blue etc. Blending phosphors with organic dyes results into complete color coverage in visible spectra, however with time, such phosphors undergo thermal and photo-bleaching. This results in the loss of their true emission color. Hence, the current work is dedicated studies on inorganic based thermally and chemically stable primary color emitting nanophosphors namely SrAl2O4:Eu2+, Dy3+, (CaZn)TiO3:Pr3+, and Sr2MgSi2O7:Eu2+, Dy3+. SrAl2O4: Eu2+, Dy3+ phosphor exhibits a strong excitation in UV and visible region (280-470 nm) with a broad emission peak centered at 514 nm is the characteristic emission of parity allowed 4f65d1→4f7 transitions of Eu2+ (8S7/2→2D5/2). Sunlight excitable Sr2MgSi2O7:Eu2+,Dy3+ nanophosphors emits blue color (464 nm) with Commercial international de I’Eclairage (CIE) coordinates to be (0.15, 0.13) with a color purity of 74 % with afterglow time of > 5 hours for dark adapted human eyes. (CaZn)TiO3:Pr3+ phosphor system possess high color purity (98%) which emits intense, stable and narrow red emission at 612 nm due intra 4f transitions (1D2 → 3H4) with afterglow time of 0.5 hour. Unusual property of persistence luminescence of these nanophoshphors supersedes background effects without losing sensitive information these nanophosphors offer several advantages of visible light excitation, negligible substrate interference, high contrast bifurcation of ridge pattern, non-toxic nature revealing finger ridge details of the fingerprints. Both level 1 and level 2 features from a fingerprint can be studied which are useful for used classification, indexing, comparison and personal identification. facile methodology to extract high contrast fingerprints on non-porous and porous substrates using a chemically inert, visible light excitable, and nanosized phosphorescent label in the dark has been presented. The chemistry of non-covalent physisorption interaction between the long afterglow phosphor powder and sweat residue in fingerprints has been discussed in detail. Real-time fingerprint development on porous and non-porous substrates has also been performed. To conclude, apart from conventional dark vision applications, as prepared primary color emitting afterglow phosphors are potentional candidate for developing high contrast latent fingerprints.

Keywords: fingerprints, luminescence, persistent phosphors, rare earth

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775 Crosslinked Porous 3-Dimensional Cellulose Nanofibers/Gelatin Based Biocomposite Aerogels for Tissue Engineering Application

Authors: Ali Mirtaghavi, Andy Baldwin, Rajendarn Muthuraj, Jack Luo

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Recent advances in biomaterials have led to utilizing biopolymers to develop 3D scaffolds in tissue regeneration. One of the major challenges of designing biomaterials for 3D scaffolds is to mimic the building blocks similar to the extracellular matrix (ECM) of the native tissues. Biopolymer based aerogels obtained by freeze-drying have shown to provide structural similarities to the ECM owing to their 3D format and a highly porous structure with interconnected pores, similar to the ECM. Gelatin (GEL) is known to be a promising biomaterial with inherent regenerative characteristics owing to its chemical similarities to the ECM in native tissue, biocompatibility abundance, cost-effectiveness and accessible functional groups, which makes it facile for chemical modifications with other biomaterials to form biocomposites. Despite such advantages, gelatin offers poor mechanical properties, sensitive enzymatic degradation and high viscosity at room temperature which limits its application and encourages its use to develop biocomposites. Hydrophilic biomass-based cellulose nanofibrous (CNF) has been explored to use as suspension for biocomposite aerogels for the development of 3D porous structures with excellent mechanical properties, biocompatibility and slow enzymatic degradation. In this work, CNF biocomposite aerogels with various ratios of CNF:GEL) (90:10, 70:30 and 50:50) were prepared by freeze-drying technique, and their properties were investigated in terms of physicochemical, mechanical and biological characteristics. Epichlorohydrin (EPH) was used to investigate the effect of chemical crosslinking on the molecular interaction of CNF: GEL, and its effects on physicochemical, mechanical and biological properties of the biocomposite aerogels. Ultimately, chemical crosslinking helped to improve the mechanical resilience of the resulting aerogels. Amongst all the CNF-GEL composites, the crosslinked CNF: GEL (70:30) biocomposite was found to be favourable for cell attachment and viability. It possessed highly porous structure (porosity of ~93%) with pore sizes ranging from 16-110 µm, adequate mechanical properties (compression modulus of ~47 kPa) and optimal biocompatibility both in-vitro and in-vivo, as well as controlled enzymatic biodegradation, high water penetration, which could be considered a suitable option for wound healing application. In-vivo experiments showed improvement on inflammation and foreign giant body cell reaction for the crosslinked CNF: GEL (70:30) compared to the other samples. This could be due to the superior interaction of CNF with gelatin through chemical crosslinking, resulting in more optimal in-vivo improvement. In-vitro cell culture investigation on human dermal fibroblasts showed satisfactory 3D cell attachment over time. Overall, it has been observed that the developed CNF: GEL aerogel can be considered as a potential scaffold for soft tissue regeneration application.

Keywords: 3D scaffolds, aerogels, Biocomposites , tissue engineering

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774 Numerical Study on the Static Characteristics of Novel Aerostatic Thrust Bearings Possessing Elastomer Capillary Restrictor and Bearing Surface

Authors: S. W. Lo, S.-H. Lu, Y. H. Guo, L. C. Hsu

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In this paper, a novel design of aerostatic thrust bearing is proposed and is analyzed numerically. The capillary restrictor and bearing disk are made of elastomer like silicone and PU. The viscoelasticity of elastomer helps the capillary expand for more air flux and at the same time, allows conicity of the bearing surface to form when the air pressure is enhanced. Therefore, the bearing has the better ability of passive compensation. In the present example, as compared with the typical model, the new designs can nearly double the load capability and offer four times static stiffness.

Keywords: aerostatic, bearing, elastomer, static stiffness

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773 Transducers for Measuring Displacements of Rotating Blades in Turbomachines

Authors: Pavel Prochazka

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The study deals with transducers for measuring vibration displacements of rotating blade tips in turbomachines. In order to prevent major accidents with extensive economic consequences, it shows an urgent need for every low-pressure steam turbine stage being equipped with modern non-contact measuring system providing information on blade loading, damage and residual lifetime under operation. The requirement of measuring vibration and static characteristics of steam turbine blades, therefore, calls for the development and operational verification of both new types of sensors and measuring principles and methods. The task is really demanding: to measure displacements of blade tips with a resolution of the order of 10 μm by speeds up to 750 m/s, humidity 100% and temperatures up to 200 °C. While in gas turbines are used primarily capacitive and optical transducers, these transducers cannot be used in steam turbines. The reason is moisture vapor, droplets of condensing water and dirt, which disable the function of sensors. Therefore, the most feasible approach was to focus on research of electromagnetic sensors featuring promising characteristics for given blade materials in a steam environment. Following types of sensors have been developed and both experimentally and theoretically studied in the Institute of Thermodynamics, Academy of Sciences of the Czech Republic: eddy-current, Hall effect, inductive and magnetoresistive. Eddy-current transducers demand a small distance of 1 to 2 mm and change properties in the harsh environment of steam turbines. Hall effect sensors have relatively low sensitivity, high values of offset, drift, and especially noise. Induction sensors do not require any supply current and have a simple construction. The magnitude of the sensors output voltage is dependent on the velocity of the measured body and concurrently on the varying magnetic induction, and they cannot be used statically. Magnetoresistive sensors are formed by magnetoresistors arranged into a Wheatstone bridge. Supplying the sensor from a current source provides better linearity. The MR sensors can be used permanently for temperatures up to 200 °C at lower values of the supply current of about 1 mA. The frequency range of 0 to 300 kHz is by an order higher comparing to the Hall effect and induction sensors. The frequency band starts at zero frequency, which is very important because the sensors can be calibrated statically. The MR sensors feature high sensitivity and low noise. The symmetry of the bridge arrangement leads to a high common mode rejection ratio and suppressing disturbances, which is important, especially in industrial applications. The MR sensors feature high sensitivity, high common mode rejection ratio, and low noise, which is important, especially in industrial applications. Magnetoresistive transducers provide a range of excellent properties indicating their priority for displacement measurements of rotating blades in turbomachines.

Keywords: turbines, blade vibration, blade tip timing, non-contact sensors, magnetoresistive sensors

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772 Rich 3-Tori Dynamics in Small-Aspect-Ratio Highly Counter-Rotating Taylor-Couette Flow with Reversal of Spiraling Vortices

Authors: S. Altmeyer, B. Hof, F. Marques, J. M. Lopez

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We present numerical simulations concerning the reversal of spiraling vortices in short highly counter-rotating cylinders. Increasing the differential cylinder rotation results in global flow-inversion is which develops various different and complex flow dynamics of several quasi-periodic solutions that differ in their number of vortex cells in the bulk. The dynamics change from being dominated of the inner cylinder boundary layer with ’passive’ only responding outer one to be dominated by the outer cylinder boundary layer with only responding inner one. Solutions exist on either two or three tori invariant manifolds whereby they appear as symmetric or asymmetric states. We find for either moderate and high inner cylinder rotation speed the quasiperiodic flow to consist of only two vortex cells but differ as the vortices has opposite spiraling direction. These both flows live on 2-tori but differ in number of symmetries. While for the quasi-periodic flow (q^a_2) at lower rotation speed a pair of symmetrically related 2-tori T2 exists the quasi-periodic flow (q^s_2) at higher rotation speeds is symmetric living on a single 2-torus T2. In addition these both flows differ due to their dominant azimuthal m modes. The first is dominated by m=1 whereas for the latter m=3 contribution is largest. The 2-tori states are separated by a further quasi-periodic flow (q^a_3) living on pair of symmetrically related 3-tori T3. This flow offers a ’periodical’ competition between a two and three vortex cell states in the bulk. This flow is also an m=1 solution as for the quasiperiodic flows living on the pair of symmetrically-related 2-tori states. Moreover we find hysteresis resulting in coexisting regions of different quasiperiodic flows q^s_2 and q^a_3 with increasing and decreasing the differential rotation.

Keywords: transition, bifurcation, torus, symmetries

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771 CFD-DEM Modelling of Liquid Fluidizations of Ellipsoidal Particles

Authors: Esmaeil Abbaszadeh Molaei, Zongyan Zhou, Aibing Yu

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The applications of liquid fluidizations have been increased in many parts of industries such as particle classification, backwashing of granular filters, crystal growth, leaching and washing, and bioreactors due to high-efficient liquid–solid contact, favorable mass and heat transfer, high operation flexibilities, and reduced back mixing of phases. In most of these multiphase operations the particles properties, i.e. size, density, and shape, may change during the process because of attrition, coalescence or chemical reactions. Previous studies, either experimentally or numerically, mainly have focused on studies of liquid-solid fluidized beds containing spherical particles; however, the role of particle shape on the hydrodynamics of liquid fluidized beds is still not well-known. A three-dimensional Discrete Element Model (DEM) and Computational Fluid Dynamics (CFD) are coupled to study the influence of particles shape on particles and liquid flow patterns in liquid-solid fluidized beds. In the simulations, ellipsoid particles are used to study the shape factor since they can represent a wide range of particles shape from oblate and sphere to prolate shape particles. Different particle shapes from oblate (disk shape) to elongated particles (rod shape) are selected to investigate the effect of aspect ratio on different flow characteristics such as general particles and liquid flow pattern, pressure drop, and particles orientation. First, the model is verified based on experimental observations, then further detail analyses are made. It was found that spherical particles showed a uniform particle distribution in the bed, which resulted in uniform pressure drop along the bed height. However for particles with aspect ratios less than one (disk-shape), some particles were carried into the freeboard region, and the interface between the bed and freeboard was not easy to be determined. A few particle also intended to leave the bed. On the other hand, prolate particles showed different behaviour in the bed. They caused unstable interface and some flow channeling was observed for low liquid velocities. Because of the non-uniform particles flow pattern for particles with aspect ratios lower (oblate) and more (prolate) than one, the pressure drop distribution in the bed was not observed as uniform as what was found for spherical particles.

Keywords: CFD, DEM, ellipsoid, fluidization, multiphase flow, non-spherical, simulation

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770 Molecular Dynamics Simulation of Realistic Biochar Models with Controlled Microporosity

Authors: Audrey Ngambia, Ondrej Masek, Valentina Erastova

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Biochar is an amorphous carbon-rich material generated from the pyrolysis of biomass with multifarious properties and functionality. Biochar has shown proven applications in the treatment of flue gas and organic and inorganic pollutants in soil and water/wastewater as a result of its multiple surface functional groups and porous structures. These properties have also shown potential in energy storage and carbon capture. The availability of diverse sources of biomass to produce biochar has increased interest in it as a sustainable and environmentally friendly material. The properties and porous structures of biochar vary depending on the type of biomass and high heat treatment temperature (HHT). Biochars produced at HHT between 400°C – 800°C generally have lower H/C and O/C ratios, higher porosities, larger pore sizes and higher surface areas with temperature. While all is known experimentally, there is little knowledge on the porous role structure and functional groups play on processes occurring at the atomistic scale, which are extremely important for the optimization of biochar for application, especially in the adsorption of gases. Atomistic simulations methods have shown the potential to generate such amorphous materials; however, most of the models available are composed of only carbon atoms or graphitic sheets, which are very dense or with simple slit pores, all of which ignore the important role of heteroatoms such as O, N, S and pore morphologies. Hence, developing realistic models that integrate these parameters are important to understand their role in governing adsorption mechanisms that will aid in guiding the design and optimization of biochar materials for target applications. In this work, molecular dynamics simulations in the isobaric ensemble are used to generate realistic biochar models taking into account experimentally determined H/C, O/C, N/C, aromaticity, micropore size range, micropore volumes and true densities of biochars. A pore generation approach was developed using virtual atoms, which is a Lennard-Jones sphere of varying van der Waals radius and softness. Its interaction via a soft-core potential with the biochar matrix allows the creation of pores with rough surfaces while varying the van der Waals radius parameters gives control to the pore-size distribution. We focused on microporosity, creating average pore sizes of 0.5 - 2 nm in diameter and pore volumes in the range of 0.05 – 1 cm3/g, which corresponds to experimental gas adsorption micropore sizes of amorphous porous biochars. Realistic biochar models with surface functionalities, micropore size distribution and pore morphologies were developed, and they could aid in the study of adsorption processes in confined micropores.

Keywords: biochar, heteroatoms, micropore size, molecular dynamics simulations, surface functional groups, virtual atoms

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