Search results for: ring compression

Authors: Wanru Huang, Fujun Wang, Chaoyue Wang, Yuan Tang, Zhifeng Yao, Ruofu Xiao, Xin Chen

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Rotating stall in centrifugal pump is an unsteady flow phenomenon that causes instabilities and high hydraulic losses. It typically occurs at low flow rates due to large flow separation in impeller blade passage. In order to reveal the influence of incoming flow conditions on rotating stall in centrifugal pump, a numerical method for investigating rotating stall was established. This method is based on a modified SST k-ω turbulence model and a fine mesh model was adopted. The calculated flow velocity in impeller by this method was in good agreement with PIV results. The effects of flow rate and sealing-ring leakage on stall characteristics of centrifugal pump were studied by using the proposed numerical approach. The flow structures in impeller under typical flow rates and typical sealing-ring leakages were analyzed. It is found that the stall vortex frequency and circumferential propagation velocity increase as flow rate decreases. With the flow rate decreases from 0.40Qd to 0.30Qd, the stall vortex frequency increases from 1.50Hz to 2.34Hz, the circumferential propagation velocity of the stall vortex increases from 3.14rad/s to 4.90rad/s. Under almost all flow rate conditions where rotating stall is present, there is low frequency of pressure pulsation between 0Hz-5Hz. The corresponding pressure pulsation amplitude increases with flow rate decreases. Taking the measuring point at the leading edge of the blade pressure surface as an example, the flow rate decreases from 0.40Qd to 0.30Qd, the pressure fluctuation amplitude increases by 86.9%. With the increase of leakage, the flow structure in the impeller becomes more complex, and the 8-shaped stall vortex is no longer stable. On the basis of the 8-shaped stall vortex, new vortex nuclei are constantly generated and fused with the original vortex nuclei under large leakage. The upstream and downstream vortex structures of the 8-shaped stall vortex have different degrees of swimming in the flow passage, and the downstream vortex swimming is more obvious. The results show that the proposed numerical approach could capture the detail vortex characteristics, and the incoming flow conditions have significant effects on the stall vortex in centrifugal pumps.

Keywords: centrifugal pump, rotating stall, numerical simulation, flow condition, vortex frequency

Procedia PDF Downloads 118

Authors: R. M. S. Sachini Amararathne

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This research is striving to develop a thermo degradable starch plastic compound/ masterbatch for industrial packaging applications. A native corn starch-modified with an esterification reaction of lauric acid is melt blent with an unsaturated elastomer (styrene-butadiene-rubber/styrene-butadiene-styrene). A trace amount of metal salt is added into the internal mixer to study the effect of pro-oxidants in a thermo oxidative environment. Then the granulated polymer composite which is consisted with 80-86% of polyolefin (LLDP/LDPE/PP) as the pivotal agent; is extruded with processing aids, antioxidants and some other additives in a co-rotating twin-screw extruder. The pelletized composite is subjected to compression molding/ Injection molding or blown film extrusion processes to acquire the samples/specimen for tests. The degradation process is explicated by analyzing the results of fourier transform infrared spectroscopy (FTIR) measurements, thermo oxidative aging studies (placing the dumb-bell specimen in an air oven at 70 °C for four weeks of exposure.) governed by tensile and impact strength test reports. Furthermore, the samples were elicited into manifold outdoors to inspect the degradation process. This industrial process is implemented to reduce the volume of fossil-based garbage by achieving the biodegradability and compostability in the natural cycle. Hence the research leads to manufacturing a degradable plastic packaging compound which is now available in the Sri Lankan market.

Keywords: blown film extrusion, compression moulding, polyolefin, pro-oxidant, styrene-butadine-rubber, styrene-butadiene-styrene, thermo oxidative aging, unsaturated elastomer

Procedia PDF Downloads 79

Authors: Mudassir Ghafoor, Irsalan Arif, Shuaib Salamat

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This paper presents modeling and analysis of different intake bump (compression surface) configurations and comparison with an existing supersonic aircraft having bump intake configuration. Many successful aircraft models have shown that Diverter less Supersonic Inlet (DSI) as compared to conventional intake can reduce weight, complexity and also maintenance cost. The research is divided into two parts. In the first part, four different intake bumps are modeled for comparative analysis keeping in view the consistency of outer perimeter dimensions of fighter aircraft and various characteristics such as flow behavior, boundary layer diversion and pressure recovery are analyzed. In the second part, modeled bumps are integrated with intake duct for performance analysis and comparison with existing supersonic aircraft data is carried out. The bumps are named as uniform large (Config 1), uniform small (Config 2), uniform sharp (Config 3), non-uniform (Config 4) based on their geometric features. Analysis is carried out at different Mach Numbers to analyze flow behavior in subsonic and supersonic regime. Flow behavior, boundary layer diversion and Pressure recovery are examined for each bump characteristics, and comparative study is carried out. The analysis reveals that at subsonic speed, Config 1 and Config 2 give similar pressure recoveries as diverterless supersonic intake, but difference in pressure recoveries becomes significant at supersonic speed. It was concluded from research that Config 1 gives better results as compared to Config 3. Also, higher amplitude (Config 1) is preferred over lower (Config 2 and 4). It was observed that maximum height of bump is preferred to be placed near cowl lip of intake duct.

Keywords: bump intake, boundary layer, computational fluid dynamics, diverter-less supersonic inlet

Procedia PDF Downloads 223

Authors: Gennaro Marino

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This paper concerns a case of a 10.75 inch diameter buried gas transmission line which was exposed to mine subsidence ground movements. The pipeline was buried about 4ft. below the surface with maximum operating pressure of 1440 psi. The mine subsidence movement was the result of long walling ore at a depth of approximately 1600 ft. As ore extraction progressed, the stress in the monitored pipeline worsened and was approaching unacceptable levels. The excessive pipe compression resulted when it was exposed to the compression zone of subsidence basin created by mining. The pipe stress reached a significant compressive level due to the extensive length of the pipe exposed to frictional ground-pipe slip resistance. The backfill ground movement slip resistance depends on normal stress around the pipe, the rate of slip, and the backfill characteristics. Normal stress depends on the burial depth of the backfill density and the lateral subsidence induced stress. The backfill in this site has a soil dry density of approximately 90 PCF. A suite of direct shear tests was conducted a residual friction angle of 36 was determined for the ambient backfill. These tests showed that the residual shearing resistance was reached within a fraction of an inch. The pipe was coated with fusion-bonded epoxy, so friction reduce factory of 0.6 can be considered. To relieve ground movement induced compressive stress, the line was uncovered. As more of the pipeline was exposed, the pipe abruptly bowed in the excavation. An analysis of this pipe formation which was performed is provided in this paper. Also discussed in this paper are ways to mitigate this pipe deformation or upheaval buckling from occurring. Keywords: Pipe Upheaval, Pipe Buckling, Ground subsidence, Buried Pipeline, Pipe Stress Mitigation.

Keywords: pipe upheaval, pipe buckling, ground subsidence, buried pipeline, pipe stress mitigation

Procedia PDF Downloads 140

Authors: Shai Sarussi

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Let S be an integral domain which is not a field, let F be its field of fractions, and let A be an F-algebra. An S-subalgebra R of A is called S-nice if R ∩ F = S and F R = A. A topological space whose set of open sets is closed under arbitrary intersections is called an Alexandroff space. Inspired by the well-known Zariski-Riemann space and the Zariski topology on the set of prime ideals of a commutative ring, we define a topology on the set of all S-nice subalgebras of A. Consequently, we get an interplay between Algebra and topology, that gives us a better understanding of the S-nice subalgebras of A. It is shown that every irreducible subset of S-nice subalgebras of A has a supremum; and a characterization of the irreducible components is given, in terms of maximal S-nice subalgebras of A.

Keywords: Alexandroff topology, integral domains, Zariski-Riemann space, S-nice subalgebras

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Authors: Ladznar S. Laja, Rosalio G. Artes, Jr.

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This paper introduced a graph polynomial relating convexity concepts. A graph polynomial is a polynomial representing a graph given some parameters. On the other hand, a subgraph H of a graph G is said to be convex in G if for every pair of vertices in H, every shortest path with these end-vertices lies entirely in H. We define the convex subgraph polynomial of a graph G to be the generating function of the sequence of the numbers of convex subgraphs of G of cardinalities ranging from zero to the order of G. This graph polynomial is monic since G itself is convex. The convex index which counts the number of convex subgraphs of G of all orders is just the evaluation of this polynomial at 1. Relationships relating algebraic properties of convex subgraphs polynomial with graph theoretic concepts are established.

Keywords: convex subgraph, convex index, generating function, polynomial ring

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Authors: Mohamed Abd Esselem Dems, Souhila Laib, Nadjia Latelli, Nadia Ouddai

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In this work, we have developed QSAR model for Relative Binding Affinity (RBA) of a large diverse set of estradiol among these derivatives, the organometallic derivatives. By dividing the dataset into a training set of 24 compounds and a test set of 6 compounds. The DFT method was used to calculate quantum chemical descriptors and physicochemical descriptors (MR and MLOGP) were performed using E-Dragon. All the validations indicated that the QSAR model built was robust and satisfactory (R2 = 90.12, Q2LOO = 86.61, RMSE = 0.272, F = 60.6473, Q2ext =86.07). We have therefore apply this model to predict the RBA, for two isomers β and α wherein Mn(CO)3 complex with the aromatic ring of estradiol, and the two isomers show little appreciation for the estrogenic receptor (RBAβ = 1.812 and RBAα = 1.741).

Keywords: DFT, estradiol, haptotropic rearrangement, QSAR, relative binding affinity

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Authors: Reza Hedayati, Meysam Jahanbakhshi

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Elastic energy absorbers which consist of a ring-liked plate and springs can be a good choice for increasing the impact duration during an accident. In the current project, an energy absorber system is optimized using four optimizing methods Kuhn-Tucker, Sequential Linear Programming (SLP), Concurrent Subspace Design (CSD), and Pshenichny-Lim-Belegundu-Arora (PLBA). Time solution, convergence, Programming Length and accuracy of the results were considered to find the best solution algorithm. Results showed the superiority of PLBA over the other algorithms.

Keywords: Concurrent Subspace Design (CSD), Kuhn-Tucker, Pshenichny-Lim-Belegundu-Arora (PLBA), Sequential Linear Programming (SLP)

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Authors: Janneth González, George Barreto, Ludis Morales, Angélica Sabogal

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Sea anemone neurotoxins are peptides that interact with Na+ and K+ channels, resulting in specific alterations on their functions. Some of these neurotoxins (1ROO, 1BGK, 2K9E, 1BEI) are important for the treatment of nearly eighty autoimmune disorders due to their specificity for Kv1.3 channel. The aim of this study was to identify the common residues among these neurotoxins by computational methods, and establish whether there is a pattern useful for the future generation of a treatment for autoimmune diseases. Our results showed eight new key common residues between the studied neurotoxins interacting with a histidine ring and the selectivity filter of the receptor, thus showing a possible pattern of interaction. This knowledge may serve as an input for the design of more promising drugs for autoimmune treatments.

Keywords: neurotoxins, potassium channel, Kv1.3, computational methods, autoimmune diseases

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Authors: Ali Bahri Lubis

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Tryptophan oxidation by Heme-dioxygenase enzyme is initial important stepTryptophan oxidation by Heme-dioxygenase enzyme is initial important step in kynurenine pathway implicating to several severe diseases such as Parkinson’s Disease, Huntington Disease, poliomyelitis and cataract. It is crucial to comprehend the oxidation mechanism with the hope to find decent treatment upon abovementioned diseases. The mechanism has been debatable since no one has been yet proved the mechanism obviously. In this research we have attempted to prove mechanistic steps of tryptophan oxidation via human indoleamine dioxygenase (h-IDO) using various substrates: L-tryptophan, L-tryptophan (indole-ring-2-13C), L-fully-labelled13C-tryptophan, L-N-methyl-tryptophan, L-tryptophan and 2-amino-3-(benzo(b)thiophene-3-yl) propanoic acid. All enzyme assay experiments were measured using a UV-Vis spectrophotometer, LC-MS, 1H-NMR, and HSQC. We also successfully synthesized enzyme products as our control in NMR measurements. The result exhibited that the distinct substrates produced N-formyl kynurenine (NFK) and hydroxypyrrolloindoleamine carboxylate acid (HPIC) in different concentrations and isomers, correlated to the proposal of considered mechanism reaction in kynurenine pathway implicating to several severe diseases such as Parkinson’s Disease, Huntington Disease, poliomyelitis and cataract. It is crucial to comprehend the oxidation mechanism with the hope to find decent treatment for the abovementioned diseases. The mechanism has been debatable since no one has yet proven the mechanism obviously. In this research we have attempted to prove mechanistic steps of tryptophan oxidation via human indoleamine dioxygenase (h-IDO) using various substrates: L-tryptophan, L-tryptophan (indole-ring-2-13C), L-fully-labelled13C-tryptophan, L-N-methyl-tryptophan, L-tryptophan and 2-amino-3-(benzo(b)thiophene-3-yl) propanoic acid. All enzyme assay experiments were measured using a UV-Vis spectrophotometer, LC-MS, 1H-NMR and HSQC. We also successfully synthesized enzyme products as our control in NMR measurements. The result exhibited that the distinct substrates produced N-formyl kynurenine (NFK) and hydroxypyrrolloindoleamine carboxylate acid (HPIC) in different concentrations and isomers, correlated to the proposal of considered mechanism reaction.

Keywords: heme-dioxygenase enzyme, tryptophan oxidation, kynurenine pathway, n-formyl kynurenine

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Authors: Mathew Wakefield, Matthew Mitchell, Lisa Wise, Christopher McCarthy

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The properties of memory representations in artificial neural networks have cognitive implications. Distributed representations that encode instances as a pattern of activity across layers of nodes afford memory compression and enforce the selection of a single point in instance space. These encoding schemes also appear to distort the representational space, as well as trading off the ability to validate that input information is within the bounds of past experience. In contrast, a localist representation which encodes some meaningful information into individual nodes in a network layer affords less memory compression while retaining the integrity of the representational space. This allows the validity of an input to be determined. The validity (or familiarity) of input along with the capacity of localist representation for multiple instance selections affords a memory sampling approach that dynamically balances the bias-variance trade-off. When the input is familiar, bias may be high by referring only to the most similar instances in memory. When the input is less familiar, variance can be increased by referring to more instances that capture a broader range of features. Using this approach in a localist instance memory network, an experiment demonstrates a relationship between representational conflict, generalization performance, and memorization demand. Relatively small sampling ranges produce the best performance on a classic machine learning dataset of visual objects. Combining memory validity with conflict detection produces a reliable confidence judgement that can separate responses with high and low error rates. Confidence can also be used to signal the need for supervisory input. Using this judgement, the need for supervised learning as well as memory encoding can be substantially reduced with only a trivial detriment to classification performance.

Keywords: artificial neural networks, representation, memory, conflict monitoring, confidence

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Authors: Daniela Rivera-Tobar Mario Perez-Won, Roberto Lemus-Mondaca, Gipsy Tabilo-Munizaga

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Different dietary trends worldwide seek to consume foods with anti-inflammatory properties, rich in antioxidants, proteins, and unsaturated fatty acids that lead to better metabolic, intestinal, mental, and cardiac health. In this sense, food matrices with high protein content based on macro and microalgae are an excellent alternative to meet the new needs of consumers. An emerging and environmentally friendly technology for producing protein matrices is ultrasonic agglomeration. It consists of the formation of permanent bonds between particles, improving the agglomeration of the matrix compared to conventionally agglomerated products (compression). Among the advantages of this process are the reduction of nutrient loss and the avoidance of binding agents. The objective of this research was to optimize the ultrasonic agglomeration process in matrices composed of Spirulina (Arthrospira platensis) powder and Cochayuyo (Durvillae Antartica) flour, by means of the response variable (Young's modulus) and the independent variables were the process conditions (percentage of ultrasonic amplitude: 70, 80 and 90; ultrasonic agglomeration times and cycles: 20, 25 and 30 seconds, and 3, 4 and 5). It was evaluated using a central composite design and analyzed using response surface methodology. In addition, the effects of agglomeration on thermophysical and microstructural properties were evaluated. It was determined that ultrasonic compression with 80 and 90% amplitude caused conformational changes according to Fourier infrared spectroscopy (FTIR) analysis, the best condition with respect to observed microstructure images (SEM) and differential scanning calorimetry (DSC) analysis, was the condition of 90% amplitude 25 and 30 seconds with 3 and 4 cycles of ultrasound. In conclusion, the agglomerated matrices present good macro and microstructural properties which would allow the design of food systems with better nutritional and functional properties.

Keywords: ultrasonic agglomeration, physical properties of food, protein matrices, macro and microalgae

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Authors: Khodzhaberdi Allaberdiev

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Aromaticity, one of the most important concepts in organic chemistry, has attracted considerable interest from both experimentalists and theoreticians. The geometry optimization of p-substituted o-(N-dialkyl)aminomethylphenols, o-DEAMPH XC₆ H₅CH ₂Y (X=p-OCH₃, CH₃, H, F, Cl, Br, COCH₃, COOCH₃, CHO, CN and NO₂, Y=o-N (C₂H₅)₂, o-DEAMPHs have been performed in the gas phase using the B3LYP/6-311+G(d,p) level. Aromaticities of the considered molecules were investigated using different indices included geometrical (HOMA and Bird), electronic (FLU, PDI and SA) magnetic (NICS(0), NICS(1) and NICS(1)zz indices. The linear dependencies were obtained between some aromaticity indices. The best correlation is observed between the Bird and PDI indices (R² =0.9240). However, not all types of indices or even different indices within the same type correlate well among each other. Surprisingly, for studied molecules in which geometrical and electronic cannot correctly give the aromaticity of ring, the magnetism based index successfully predicts the aromaticity of systems. 1H NMR spectra of compounds were obtained at B3LYP/6–311+G(d,p) level using the GIAO method. Excellent linear correlation (R²= 0.9996) between values the chemical shift of hydrogen atom obtained experimentally of 1H NMR and calculated using B3LYP/6–311+G(d,p) demonstrates a good assignment of the experimental values chemical shift to the calculated structures of o-DEAMPH. It is found that the best linear correlation with the Hammett substituent constants is observed for the NICS(1)zz index in comparison with the other indices: NICS(1)zz =-21.5552+1,1070 σp- (R²=0.9394). The presence intramolecular hydrogen bond in the studied molecules also revealed changes the aromatic character of substituted o-DEAMPHs. The HOMA index predicted for R=NO2 the reduction in the π-electron delocalization of 3.4% was about double that observed for p-nitrophenol. The influence intramolecular H-bonding on aromaticity of benzene ring in the ground state (S0) are described by equations between NICS(1)zz and H-bond energies: experimental, Eₑₓₚ, predicted IR spectroscopical, Eν and topological, EQTAIM with correlation coefficients R² =0.9666, R² =0.9028 and R² =0.8864, respectively. The NICS(1)zz index also correlates with usual descriptors of the hydrogen bond, while the other indices do not give any meaningful results. The influence of the intramolecular H-bonding formation on the aromaticity of some substituted o-DEAMPHs is criteria to consider the multidimensional character of aromaticity. The linear relationships as well as revealed between NICS(1)zz and both pyramidality nitrogen atom, ΣN(C₂H₅)₂ and dihedral angle, φ CAr – CAr -CCH₂ –N, to characterizing out-of-plane properties.These results demonstrated the nonplanar structure of o-DEAMPHs. Finally, when considering dependencies of NICS(1)zz, were excluded data for R=H, because the NICS(1) and NICS(1)zz values are the most negative for unsubstituted DEAMPH, indicating its highest aromaticity; that was not the case for NICS(0) index.

Keywords: aminomethylphenols, DFT, aromaticity, correlations

Procedia PDF Downloads 164

Authors: Sani Ismaila, Shafiu Yau, Abubakar Salisu, Buhari Salisu, Sharifat Balogun, Mustapha Abubakar, Biobaku Khalid, Agaie Bello

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Over the years, Japanese quail egg has been in use in the management of diseases. The objective of this study was to evaluate the analgesic, anti-inflammatory and gastroprotective effects of raw Quail egg (yolk + albumin) in rats. Pain was assessed in rats by recording the latent period and writing reflex, anti-inflammatory effect was determined using both motility and compression test, while the gastro-protective effects were assessed by observing the histology of the stomach after diclofenac-induced gastric ulcers and subsequent treatment with the quail egg, Rats were randomly assigned into 4 groups; Groups I: were the control non-treated (NT), Group II were treated with Tramadol 50 mg/kg/Os (TMD) or Indomethacin (IND) 5mg/kg/Os (positive control for the writhing reflex determination), while group III and IV were treated with 3 and 6g/kg of raw quail egg respectively). Groups treated with quail egg in both doses showed a significant increase in the latent period (p <0 .05) when compared to the control NT, but lower than the group treated with tramadol at 20mins interval (p<0.05). Writing reflexes decrease in groups II, III, and IV compared to the NT group (p < 0.05). While motility increases significantly (p < 0.05) in groups II, compared to I (p<0.05). Control non-treated rats showed a quicker and extensive response to compression using the Vanier calliper on the inflamed paw compared to groups II-IV (p < 0.05). Histological studies of the stomach revealed sloughing of the epithelia, cellular infiltration with micro abscesses in the non-treated, while groups treated concurrently with quail egg showed proliferation of the glandular epithelia and goblet cells, and those treated 30 minutes before diclofenac administration showed proliferation of glands and thickening of the squamous epithelia. This study showed that quail egg has analgesic, anti-inflammatory and gastro-protective potentials and can be used as adjuvant treatment whenever COX-2 enzymes inhibitors are indicated.

Keywords: analgesia, anti-inflammatory, gastroprotective effect, japanese quail egg

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Authors: Shai Sarussi

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Let S be an integral domain with field of fractions F and let A be an F-algebra. An S-subalgebra R of A is called S-nice if R∩F = S and the localization of R with respect to S \{0} is A. Denoting by W the set of all S-nice subalgebras of A, and defining a notion of open sets on W, one can view W as a T0-Alexandroff space. Thus, the algebraic structure of W can be viewed from the point of view of topology. It is shown that every nonempty open subset of W has a maximal element in it, which is also a maximal element of W. Moreover, a supremum of an irreducible subset of W always exists. As a notable connection with valuation theory, one considers the case in which S is a valuation domain and A is an algebraic field extension of F; if S is indecomposed in A, then W is an irreducible topological space, and W contains a greatest element.

Keywords: integral domains, Alexandroff topology, prime spectrum of a ring, valuation domains

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Authors: Mohammad W. Dewan, Jahangir Alam, Khurshida Sharmin

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Synthetic fibers (carbon, glass, aramid, etc.) are generally utilized to make composite materials for better mechanical and thermal properties. However, they are expensive and non-biodegradable. In the perspective of Bangladesh, jute fibers are available, inexpensive, and comprising good mechanical properties. The improved properties (i.e., low cost, low density, eco-friendly) of natural fibers have made them a promising reinforcement in hybrid composites without sacrificing mechanical properties. In this study, jute and e-glass fiber reinforced hybrid composite materials are fabricated utilizing hand lay-up followed by a compression molding technique. Room temperature cured two-part epoxy resin is used as a matrix. Approximate 6-7 mm thick composite panels are fabricated utilizing 17 layers of woven glass and jute fibers with different fiber layering sequences- only jute, only glass, glass, and jute alternatively (g/j/g/j---) and 4 glass - 9 jute – 4 glass (4g-9j-4g). The fabricated composite panels are analyzed through fiber volume calculation, tensile test, bending test, and water absorption test. The hybridization of jute and glass fiber results in better tensile, bending, and water absorption properties than only jute fiber-reinforced composites, but inferior properties as compared to only glass fiber reinforced composites. Among different fiber layering sequences, 4g-9j-4g fibers layering sequence resulted in better tensile, bending, and water absorption properties. The effect of chemical treatment on the woven jute fiber and chopped glass microfiber infusion are also investigated in this study. Chemically treated jute fiber and 2 wt. % chopped glass microfiber infused hybrid composite shows about 12% improvements in flexural strength as compared to untreated and no micro-fiber infused hybrid composite panel. However, fiber chemical treatment and micro-filler do not have a significant effect on tensile strength.

Keywords: compression molding, chemical treatment, hybrid composites, mechanical properties

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Authors: Rajendra Kumar Kanojia

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Correction of the gap created by the resection of large juxtra-articular tumours of the femur would be difficult to manage, several bone substitutes, bone grafts, and artificial bone granules were tried but the results were not as good as with the distraction osteogensis, by the help of either Ilizarov ring fixator or the mono-rail fixators. We are presenting a small study of five cases of malignant tumours of the distal femur, removed, custom made mega prosthesis was applied and that failed twice in a span of five years. We had no better option left then to apply mono-rail fixator, and start the process of distraction osteogeneis, we got the union, gap was filled with new bone and patient has been made walking in few months.

Keywords: distal femur tumour, resection, defect non-union, mono-rail fixator

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Authors: Feng Wang, Vladislav Vasilyev

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Ferrocene (Fe(C5H5)2, i.e., di-cyclopentadienyle iron (FeCp2) or Fc) is a unique example of ‘wrong but seminal’ in chemistry history. It has significant applications in a number of areas such as homogeneous catalysis, polymer chemistry, molecular sensing, and nonlinear optical materials. However, the ‘molecular carousel’ has been a ‘notoriously difficult example’ and subject to long debate for its conformation and properties. Ferrocene is a dynamic molecule. As a result, understanding of the dynamical properties of ferrocene is very important to understand the conformational properties of Fc. In the present study, molecular dynamic (MD) simulations are performed. In the simulation, we use 5 geometrical parameters to define the overall conformation of Fc and all the rest is a thermal noise. The five parameters are defined as: three parameters d---the distance between two Cp planes, α and δ to define the relative positions of the Cp planes, in which α is the angle of the Cp tilt and δ the angle the two Cp plane rotation like a carousel. Two parameters to position the Fe atom between two Cps, i.e., d1 for Fe-Cp1 and d2 for Fe-Cp2 distances. Our preliminary MD simulation discovered the five parameters behave differently. Distances of Fe to the Cp planes show that they are independent, practically identical without correlation. The relative position of two Cp rings, α, indicates that the two Cp planes are most likely not in a parallel position, rather, they tilt in a small angle α≠ 0°. The mean plane dihedral angle δ ≠ 0°. Moreover, δ is neither 0° nor 36°, indicating under those conditions, Fc is neither in a perfect eclipsed structure nor a perfect staggered structure. The simulations show that when the temperature is above 80K, the conformers are virtually in free rotations, A very interesting result from the MD simulation is the five C-Fe bond distances from the same Cp ring. They are surprisingly not identical but in three groups of 2, 2 and 1. We describe the pentagon formed by five carbon atoms as ‘turtle swimming’ for the motion of the Cp rings of Fc as shown in their dynamical animation video. The Fe- C(1) and Fe-C(2) which are identical as ‘the turtle back legs’, Fe-C(3) and Fe-C(4) which are also identical as turtle front paws’, and Fe-C(5) ---’the turtle head’. Such as ‘turtle swimming’ analog may be able to explain the single substituted derivatives of Fc. Again, the mean Fe-C distance obtained from MD simulation is larger than the quantum mechanically calculated Fe-C distances for eclipsed and staggered Fc, with larger deviation with respect to the eclipsed Fc than the staggered Fc. The same trend is obtained for the five Fe-C-H angles from same Cp ring of Fc. The simulated mean IR spectrum at 7K shows split spectral peaks at approximately 470 cm-1 and 488 cm-1, in excellent agreement with quantum mechanically calculated gas phase IR spectrum for eclipsed Fc. As the temperature increases over 80K, the clearly splitting IR spectrum become a very board single peak. Preliminary MD results will be presented.

Keywords: ferrocene conformation, molecular dynamics simulation, conformer orientation, eclipsed and staggered ferrocene

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Authors: Mindaye Teshome, Evaldo Muñoz Braz, Carlos M. M. Eleto Torres, Patricia Mattos

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Sustainable forest management planning requires up-to-date information on the structure, standing volume, biomass, and growth rate of trees from a given forest. This kind of information is lacking in many forests in Ethiopia. The objective of this study was to quantify the population structure, diameter growth rate, and standing volume of wood from Juniperus procera trees in the Chilimo forest. A total of 163 sample plots were set up in the forest to collect the relevant vegetation data. Growth ring measurements were conducted on stem disc samples collected from 12 J. procera trees. Diameter and height measurements were recorded from a total of 1399 individual trees with dbh ≥ 2 cm. The growth rate, maximum current and mean annual increments, minimum logging diameter, and cutting cycle were estimated, and alternative cutting cycles were established. Using these data, the harvestable volume of wood was projected by alternating four minimum logging diameters and five cutting cycles following the stand table projection method. The results show that J. procera trees have an average density of 183 stems ha⁻¹, a total basal area of 12.1 m² ha⁻¹, and a standing volume of 98.9 m³ ha⁻¹. The mean annual diameter growth ranges between 0.50 and 0.65 cm year⁻¹ with an overall mean of 0.59 cm year⁻¹. The population of J. procera tree followed a reverse J-shape diameter distribution pattern. The maximum current annual increment in volume (CAI) occurred at around 49 years when trees reached 30 cm in diameter. Trees showed the maximum mean annual increment in volume (MAI) around 91 years, with a diameter size of 50 cm. The simulation analysis revealed that 40 cm MLD and a 15-year cutting cycle are the best minimum logging diameter and cutting cycle. This combination showed the largest harvestable volume of wood potential, volume increments, and a 35% recovery of the initially harvested volume. It is concluded that the forest is well stocked and has a large amount of harvestable volume of wood from J. procera trees. This will enable the country to partly meet the national wood demand through domestic wood production. The use of the current population structure and diameter growth data from tree ring analysis enables the exact prediction of the harvestable volume of wood. The developed model supplied an idea about the productivity of the J. procera tree population and enables policymakers to develop specific management criteria for wood harvesting.

Keywords: logging, growth model, cutting cycle, minimum logging diameter

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Authors: P. Abachi, S. Karami, K. Purazrang

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The amorphous reinforcements (metallic glasses) can be considered as promising options for reinforcing light-weight aluminum and its alloys. By using the proper type of reinforcement, one can overcome to drawbacks such as interfacial de-cohesion and undesirable reactions which can be created at ceramic particle and metallic matrix interface. In this work, the Zr-based amorphous phase was produced via mechanical milling of elemental powders. Based on Miedema semi-empirical Model and diagrams for formation enthalpies and/or Gibbs free energies of Zr-Cu amorphous phase in comparison with the crystalline phase, the glass formability range was predicted. The composite was produced using the powder mixture of the aluminum and metallic glass and spark plasma sintering (SPS) at the temperature slightly above the glass transition Tg of the metallic glass particles. The selected temperature and rapid sintering route were suitable for consolidation of an aluminum matrix without crystallization of amorphous phase. To characterize amorphous phase formation, X-ray diffraction (XRD) phase analyses were performed on powder mixture after specified intervals of milling. The microstructure of the composite was studied by optical and scanning electron microscope (SEM). Uniaxial compression tests were carried out on composite specimens with the dimension of 4 mm long and a cross-section of 2 ˟ 2mm2. The micrographs indicated an appropriate reinforcement distribution in the metallic matrix. The comparison of stress–strain curves of the consolidated composite and the non-reinforced Al matrix alloy in compression showed that the enhancement of yield strength and mechanical strength are combined with an appreciable plastic strain at fracture. It can be concluded that metallic glasses (amorphous phases) are alternative reinforcement material for lightweight metal matrix composites capable of producing high strength and adequate ductility. However, this is in the expense of minor density increase.

Keywords: aluminum matrix composite, amorphous phase, mechanical alloying, spark plasma sintering

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Authors: K. A. Weidenmann, M. Grigo, B. Brylka, P. Elsner, T. Böhlke

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In order to reduce fuel consumption, the weight of automobiles has to be reduced. Fiber reinforced polymers offer the potential to reach this aim because of their high stiffness to weight ratio. Additionally, the use of fiber reinforced polymers in automotive applications has to allow for an economic large-scale production. In this regard, long fiber reinforced thermoplastics made by direct processing offer both mechanical performance and processability in injection moulding and compression moulding. The work presented in this contribution deals with long glass fiber reinforced polypropylene directly processed in compression moulding (D-LFT). For the use in automotive applications both the temperature and the time dependency of the materials properties have to be investigated to fulfill performance requirements during crash or the demands of service temperatures ranging from -40 °C to 80 °C. To consider both the influence of temperature and time, quasistatic tensile tests have been carried out at different temperatures. These tests have been complemented by high speed tensile tests at different strain rates. As expected, the increase in strain rate results in an increase of the elastic modulus which correlates to an increase of the stiffness with decreasing service temperature. The results are in good accordance with results determined by dynamic mechanical analysis within the range of 0.1 to 100 Hz. The experimental results from different testing methods were grouped and interpreted by using different time temperature shift approaches. In this regard, Williams-Landel-Ferry and Arrhenius approach based on kinetics have been used. As the theoretical shift factor follows an arctan function, an empirical approach was also taken into consideration. It could be shown that this approach describes best the time and temperature superposition for glass fiber reinforced polypropylene manufactured by D-LFT processing.

Keywords: composite, dynamic mechanical analysis, long fibre reinforced thermoplastics, mechanical properties, time temperature superposition

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Authors: Tawar Mahmoodzadeh

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Today soil contamination is an unavoidable issue; Irrespective of environmental impact, which happens during the soil contaminating and remediating process, the influence of this phenomenon on soil has not been searched thoroughly. In this study, unconfined compression and compaction tests were done on samples, contaminated and treated soil after 50 days of bio-treatment. The results show that rising in the amount of oil, cause decreased optimum water content and maximum dry density and increased strength. However, almost 65% of this contamination terminated by using a Bioremer as a bioremediation agent.

Keywords: oil contamination soil, shear strength, compaction, bioremediation

Procedia PDF Downloads 128

Authors: Hyery Kang, Dong-Yeun Koh, Yun-Ho Ahn, Huen Lee

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Determination of the behavior of clathrate hydrate with inhibitor in the THz region will provide useful information about hydrate plug control in the upstream of the oil and gas industry. In this study, terahertz time-domain spectroscopy (THz-TDS) revealed the inhibition of the THF clathrate hydrate system with dosage of polyvinylpyrrolidone (PVP) with three different molecular weights. Distinct footprints of phase transition in the THz region (0.4–2.2 THz) were analyzed and absorption coefficients and real part of refractive indices are obtained in the temperature range of 253 K to 288 K. Along with the optical properties, ring breathing and stretching modes for different molecular weights of PVP in THF hydrate are analyzed by Raman spectroscopy.

Keywords: clathrate hydrate, terahertz spectroscopy, tetrahydrofuran, inhibitor

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Authors: Sy-Wei Lo, Chi-Heng Yu

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A new design of aerostatic thrust bearing is proposed for high static stiffness. The bearing body, which is mead of polymer covered with metallic membrane, is held by a circular ring. Such a support helps form a concave air gap to grasp the air pressure. The polymer body, which can be made rapidly by either injection or molding is able to provide extra damping under dynamic loading. The smooth membrane not only serves as the bearing surface but also protects the polymer body. The restrictor is a capillary inside a silicone tube. It can passively compensate the variation of load by expanding the capillary diameter for more air flux. In the present example, the stiffness soars from 15.85 N/µm of typical bearing to 349.85 N/µm at bearing elevation 9.5 µm; meanwhile the load capacity also enhances from 346.86 N to 704.18 N.

Keywords: aerostatic, bearing, polymer, static stiffness

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Authors: Yoftahe Nigussie

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This research explores the implementation of a vapor absorption refrigeration system (VARS) in mini-bus cars to enhance air conditioning efficiency. The conventional vapor compression refrigeration system (VCRS) in vehicles relies on mechanical work from the engine, leading to increased fuel consumption. The proposed VARS aims to utilize waste heat and exhaust gas from the internal combustion engine to cool the mini-bus cabin, thereby reducing fuel consumption and atmospheric pollution. The project involves two models: Model 1, a two-fluid vapor absorption system (VAS), and Model 2, a three-fluid VAS. Model 1 uses ammonia (NH₃) and water (H₂O) as refrigerants, where water absorbs ammonia rapidly, producing a cooling effect. The absorption cycle operates on the principle that absorbing ammonia in water decreases vapor pressure. The ammonia-water solution undergoes cycles of desorption, condensation, expansion, and absorption, facilitated by a generator, condenser, expansion valve, and absorber. The objectives of this research include reducing atmospheric pollution, minimizing air conditioning maintenance costs, lowering capital costs, enhancing fuel economy, and eliminating the need for a compressor. The comparison between vapor absorption and compression systems reveals advantages such as smoother operation, fewer moving parts, and the ability to work at lower evaporator pressures without affecting the Coefficient of Performance (COP). The proposed VARS demonstrates potential benefits for mini-bus air conditioning systems, providing a sustainable and energy-efficient alternative. By utilizing waste heat and exhaust gas, this system contributes to environmental preservation while addressing economic considerations for vehicle owners. Further research and development in this area could lead to the widespread adoption of vapor absorption technology in automotive air conditioning systems.

Keywords: room, zone, space, thermal resistance

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Authors: Aleksandra BužArovska, Gordana Bogoeva Gaceva

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Biodegradable polymers have received significant scientific attention in tissue engineering (TE) application, in particular their composites consisting of inorganic nanoparticles. In the last 15 years, they are subject of intensive research by many groups, aiming to develop polymer scaffolds with defined biodegradability, porosity and adequate mechanical stability. The most important characteristic making these materials attractive for TE is their biodegradability, a process that could be time controlled and long enough to enable generation of a new tissue as a replacement for the degraded polymer scaffold. In this work poly(L-lactic acid) scaffolds, filled with TiO2 nanoparticles functionalized with oleic acid, have been prepared by thermally induced phase separation method (TIPS). The functionalization of TiO2 nanoparticles with oleic acid was performed in order to improve the nanoparticles dispersibility within the polymer matrix and at the same time to inhibit the cytotoxicity of the nanofiller. The oleic acid was chosen as amphiphilic molecule belonging to the fatty acid family because of its non-toxicity and possibility for mediation between the hydrophilic TiO2 nanoparticles and hydrophobic PLA matrix. The produced scaffolds were characterized with thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and mechanical compression measurements. The bioactivity for bone tissue engineering application was tested in supersaturated simulated body fluid. The degradation process was followed by Fourier transform infrared spectroscopy (FTIR). The results showed anisotropic morphology with elongated open pores (100 µm), high porosity (around 92%) and perfectly dispersed nanofiller. The compression moduli up to 10 MPa were identified independent on the nanofiller content. Functionalized TiO2 nanoparticles induced formation of hydroxyapatite clusters as much as unfunctionalized TiO2. The prepared scaffolds showed properties ideal for scaffold vascularization, cell attachment, growth and proliferation.

Keywords: biodegradation, bone tissue engineering, mineralization, PLA scaffolds

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Authors: O. Arikan, C. Kocatepe, G. Ucar, Y. Hacialiefendioglu

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In this paper, influence of harmonics on medium voltage distribution system of Bogazici Electricity Distribution Inc. (BEDAS) which takes place at Istanbul/Turkey is investigated. A ring network consisting of residential loads is taken into account for this study. Real system parameters and measurement results are used for simulations. Also, probable working conditions of the system are analyzed for %50, %75 and %100 loading of transformers with similar harmonic contents. Results of the study are exhibited the influence of nonlinear loads on %THDV, P.F. and technical losses of the medium voltage distribution system.

Keywords: distribution system, harmonic, technical losses, power factor, total harmonic distortion, residential load, medium voltage

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Authors: Cristina Lavilla, Andreas Heise

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The synthesis of sequence-controlled polymers has received increasing attention in the last years. Well-defined polyacrylates, polyacrylamides and styrene-maleimide copolymers have been synthesized by sequential or kinetic addition of comonomers. However this approach has not yet been introduced to the synthesis of polypeptides, which are in fact polymers developed by nature in a sequence-controlled way. Polypeptides are natural materials that possess the ability to self-assemble into complex and highly ordered structures. Their folding and properties arise from precisely controlled sequences and compositions in their constituent amino acid monomers. So far, solid-phase peptide synthesis is the only technique that allows preparing short peptide sequences with excellent sequence control, but also requires extensive protection/deprotection steps and it is a difficult technique to scale-up. A new strategy towards sequence control in the synthesis of polypeptides is introduced, based on the sequential addition of α-amino acid-N-carboxyanhydrides (NCAs). The living ring-opening process is conducted to full conversion and no purification or deprotection is needed before addition of a new amino acid. The length of every block is predefined by the NCA:initiator ratio in every step. This method yields polypeptides with a specific sequence and controlled molecular weights. A series of polypeptides with varying block sequences have been synthesized with the aim to identify structure-property relationships. All of them are able to adopt secondary structures similar to natural polypeptides, and display properties in the solid state and in solution that are characteristic of the primary structure. By design the prepared polypeptides allow selective modification of individual block sequences, which has been exploited to introduce functionalities in defined positions along the polypeptide chain. Poly(ethylene glycol)(PEG) was the functionality chosen, as it is known to favor hydrophilicity and also yield thermoresponsive materials. After PEGylation, hydrophilicity of the polypeptides is enhanced, and their thermal response in H2O has been studied. Noteworthy differences in the behavior of the polypeptides having different sequences have been found. Circular dichroism measurements confirmed that the α-helical conformation is stable over the examined temperature range (5-90 °C). It is concluded that PEG units are the main responsible of the changes in H-bonding interactions with H2O upon variation of temperature, and the position of these functional units along the backbone is a factor of utmost importance in the resulting properties of the α-helical polypeptides.

Keywords: α-amino acid N-carboxyanhydrides, multiblock copolymers, poly(ethylene glycol), polypeptides, ring-opening polymerization, sequence control

Procedia PDF Downloads 175

Authors: BoSheng Liu

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The research goal is to re-image a locally-sourced waste product as abuilding material. The author aims to contribute to the compressed stabilized earth block (CSEB) by investigating the promising role of dredged material as an alternative building ingredient in the production of bricks and tiles. Dredged material comes from the sediment deposited near the shore or downstream, where the water current velocity decreases. This sediment needs to be dredged to provide water transportation; thus, there are mounds of the dredged material stored at bay. It is the interest of this research to reduce the filtered un-organic soil in the production of CSEB and replace it with locally dredged material from the Atchafalaya River in Morgan City, Louisiana. Technology and mechanical innovations have evolved the traditional adobe production method, which mixes the soil and natural fiber into molded bricks, into chemically stabilized CSEB made by compressing the clay mixture and stabilizer in a compression chamber with particular loads. In the case of dredged material CSEB (DM-CSEB), cement plays an essential role as the bending agent contributing to the unit strength while sustaining the filtered un-organic soil. Each DM-CSEB unit is made in a compression chamber with 580 PSI (i.e., 4 MPa) force. The research studied the cement content from 5% to 10% along with the range of dredged material mixtures, which differed from 20% to 80%. The material mixture content affected the DM-CSEB's strength and workability during and after its compression. Results indicated two optimal workabilities of the mixture: 27% fine clay content and 63% dredged material with 10% cement, or 28% fine clay content, and 67% dredged material with 5% cement. The final product of DM-CSEB emitted between 10 to 13 times fewer carbon emissions compared to the conventional fired masonry structure. DM-CSEB satisfied the strength requirement given by the ASTM C62 and ASTM C34 standards for construction material. One of the final evaluations tested and validated the material performance by designing and constructing an architectural, conical tile-vault prototype that was 28" by 40" by 24." The vault utilized a computational form-finding approach to generate the form's geometry, which optimized the correlation between the vault geometry and structural load distribution. A series of scaffolding was deployed to create the framework for the tile-vault construction. The final tile-vault structure was made from 2 layers of DM-CSEB tiles jointed by mortar, and the construction of the structure used over 110 tiles. The tile-vault prototype was capable of carrying over 400 lbs of live loads, which further demonstrated the dredged material feasibility as a construction material. The presented case study of Dredged Material Compressed Stabilized Earth Block (DM-CSEB) provides the first impression of dredged material in the clayey mixture process, structural performance, and construction practice. Overall, the approach of integrating dredged material in building material can be feasible, regionally sourced, cost-effective, and environment-friendly.

Keywords: dredged material, compressed stabilized earth block, tile-vault, regionally sourced, environment-friendly

Procedia PDF Downloads 93

Authors: Yukinori Taniguchi, Kazuyoshi Kurita, Kohei Mizuta, Keigo Nishitani, Ryuichi Fukuda

Abstract:

Tungsten carbide is widely used as a tool material in metal manufacturing process. Since tungsten is typical rare metal, establishment of recycle process of tungsten carbide tools and restore into cemented carbide material bring great impact to metal manufacturing industry. Recently, recycle process of tungsten carbide has been developed and established gradually. However, the demands for quality of cemented carbide tool are quite severe because hardness, toughness, anti-wear ability, heat resistance, fatigue strength and so on should be guaranteed for precision machining and tool life. Currently, it is hard to restore the recycled tungsten carbide powder entirely as raw material for new processed cemented carbide tool. In this study, to suggest positive use of recycled tungsten carbide powder, we have tried to fabricate a carbon based sintered steel which shows reinforced mechanical properties with recycled tungsten carbide powder. We have made set of newly designed sintered steels. Compression test of sintered specimen in density ratio of 0.85 (which means 15% porosity inside) has been conducted. As results, at least 1.7 times higher in nominal strength in the amount of 7.0 wt.% was shown in recycled WC powder. The strength reached to over 600 MPa for the Fe-WC-Co-Cu sintered alloy. Wear test has been conducted by using ball-on-disk type friction tester using 5 mm diameter ball with normal force of 2 N in the dry conditions. Wear amount after 1,000 m running distance shows that about 1.5 times longer life was shown in designed sintered alloy. Since results of tensile test showed that same tendency in previous testing, it is concluded that designed sintered alloy can be used for several mechanical parts with special strength and anti-wear ability in relatively low cost due to recycled tungsten carbide powder.

Keywords: tungsten carbide, recycle process, compression test, powder metallurgy, anti-wear ability

Procedia PDF Downloads 227