Search results for: chemical bonding
4768 Engineered Bio-Coal from Pressed Seed Cake for Removal of 2, 4, 6-Trichlorophenol with Parametric Optimization Using Box–Behnken Method
Authors: Harsha Nagar, Vineet Aniya, Alka Kumari, Satyavathi B.
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In the present study, engineered bio-coal was produced from pressed seed cake, which otherwise is non-edible in origin. The production process involves a slow pyrolysis wherein, based on the optimization of process parameters; a substantial reduction in H/C and O/C of 77% was achieved with respect to the original ratio of 1.67 and 0.8, respectively. The bio-coal, so the product was found to have a higher heating value of 29899 kJ/kg with surface area 17 m²/g and pore volume of 0.002 cc/g. The functional characterization of bio-coal and its subsequent modification was carried out to enhance its active sites, which were further used as an adsorbent material for removal of 2,4,6-Trichlorophenol (2,4,6-TCP) herbicide from the aqueous stream. The point of zero charge for the bio-coal was found to be pH < 3 where its surface is positively charged and attracts anions resulting in the maximum 2, 4, 6-TCP adsorption at pH 2.0. The parametric optimization of the adsorption process was studied based on the Box-Behken design with the desirability approach. The results showed optimum values of adsorption efficiency of 74.04% and uptake capacity of 118.336 mg/g for an initial metal concentration of 250 mg/l and particle size of 0.12 mm at pH 2.0 and 1 g/L of bio-coal loading. Negative Gibbs free energy change values indicated the feasibility of 2,4,6-TCP adsorption on biochar. Decreasing the ΔG values with the rise in temperature indicated high favourability at low temperatures. The equilibrium modeling results showed that both isotherms (Langmuir and Freundlich) accurately predicted the equilibrium data, which may be attributed to the different affinity of the functional groups of bio-coal for 2,4,6-TCP removal. The possible mechanism for 2,4,6-TCP adsorption is found to be physisorption (pore diffusion, p*_p electron donor-acceptor interaction, H-bonding, and van der Waals dispersion forces) and chemisorption (phenolic and amine groups chemical bonding) based on the kinetics data modeling.Keywords: engineered biocoal, 2, 4, 6-trichlorophenol, box behnken design, biosorption
Procedia PDF Downloads 1174767 The Relation Between Social Capital and Trust with Social Network Analysis (SNA)
Authors: Safak Baykal
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The purpose of this study is analyzing the relationship between self leadership and social capital of people with using Social Network Analysis. In this study, two aspects of social capital will be focused: bonding, homophilous social capital (BoSC) which implies better, strong, dense or closed network ties, and bridging, heterophilous social capital (BrSC) which implies weak ties, bridging the structural holes. The other concept of the study is Trust (Tr), namely interpersonal trust, willingness to ascribe good intentions to and have confidence in the words and actions of other people. In this study, the sample group, 61 people, was selected from a private firm from the defense industry. The relation between BoSC/BrSC and Tr is shown by using Social Network Analysis (SNA) and statistical analysis with Likert type-questionnaire. The results of the analysis show the Cronbach’s alpha value is 0.73 and social capital values (BoSC/BrSC) is highly correlated with Tr values of the people.Keywords: bonding social capital, bridging social capital, trust, social network analysis (SNA)
Procedia PDF Downloads 5294766 Modeling Aggregation of Insoluble Phase in Reactors
Authors: A. Brener, B. Ismailov, G. Berdalieva
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In the paper we submit the modification of kinetic Smoluchowski equation for binary aggregation applying to systems with chemical reactions of first and second orders in which the main product is insoluble. The goal of this work is to create theoretical foundation and engineering procedures for calculating the chemical apparatuses in the conditions of joint course of chemical reactions and processes of aggregation of insoluble dispersed phases which are formed in working zones of the reactor.Keywords: binary aggregation, clusters, chemical reactions, insoluble phases
Procedia PDF Downloads 3084765 Effect of Citric Acid on Hydrogen-Bond Interactions and Tensile Retention Properties of Citric Acid Modified Thermoplastic Starch Biocomposites
Authors: Da-Wei Wang, Liang Yang, Xuan-Long Peng, Mei-Chuan Kuo, Jen-Taut Yeh
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The tensile retention and waterproof properties of thermoplastic starch (TPS) resins were significantly enhanced by modifying with proper amounts of citric acid (CA) and by melt-blending with poly(lactic acid) (PLA), although no distinguished chemical reaction occurred between CA and starch molecules. As evidenced by Fourier transform infrared spectroscopy and Solid-state 13C Nuclear Magnetic Resonance analyses, disruption of intra and interhydrogen-bondings within starch molecules did occur during the modification processes of CA modified TPS (i.e. TPS100CAx) specimens. The tensile strength (σf) retention values of TPS specimens reduced rapidly from 27.8 to 20.5 and 0.4 MPa, respectively, as the conditioning time at 20°C/50% relative humidity (RH) increased from 0 to 7 and 70 days, respectively. While the elongation at break (εf) retention values of TPS specimens increased rapidly from 5.9 to 6.5 and 34.8%, respectively, as the conditioning time increased from 0 to 7 and 70 days. After conditioning at 20°C/50% RH for 70 days, the σf and εf retention values of the best prepared (TPS100CA0.1)30PLA70 specimen are equivalent to 85% and 167% of its initial σf and εf values, respectively, and are more than 105 times higher but 48% lower than those of TPS specimens conditioned at 20°C/50% RH for the same amount of time. Demarcated diffraction peaks, new melting endotherms of recrystallized starch crystals and distinguished ductile characteristics with drawn debris were found for many conditioned TPS specimens, however, only slight retrogradation effect and much less drawn debris was found for most conditioned TPS100CAx and/or (TPS100CA0.1)xPLAy specimens. The significantly improved water proof, tensile retention properties and relatively unchanged in retrogradation effect found for most conditioned TPS100CAx and/or (TPS100CA0.1)xPLAy specimens are apparently due to the efficient blocking of the moisture-absorbing hydroxyl groups (free or hydrogen bonded) by hydrogen-bonding CA with starch molecules during their modification processes.Keywords: thermoplastic starch, hydrogen-bonding, water proof, strength retention
Procedia PDF Downloads 3064764 How Do You Blow Off Steam? : The Impact of Therapeutic Catharsis Seeking, Self-Construal, and Social Capital in Gaming Context
Authors: Hye Rim Lee, Eui Jun Jeong, Ju Woo Kim
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This study will examine how the therapeutic factors (therapeutic catharsis-seeking and game-efficacy of the game player) and self-construal factors (independent and interdependent self-construal of the game player) as well as social capital factors (bonding and bridging social capital of the game player) affect trait aggression in the game. Results show that both therapeutic catharsis-seeking and game self-efficacy are particularly important to the players since they cause the game players’ aggressive tendencies to be greatly diminished. Independent self-construal reduces the level of the players’ aggression. Interestingly enough, the bonding social capital enhances the level of the players’ aggression, while individuals with bridging social capital did not show any significant effects. The results and implications will be discussed herein.Keywords: aggression catharsis, game self-efficacy, self-construal, social capital, therapeutic catharsis seeking
Procedia PDF Downloads 5234763 Electro-Mechanical Response and Engineering Properties of Piezocomposite with Imperfect Interface
Authors: Rattanan Tippayaphalapholgul, Yasothorn Sapsathiarn
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Composites of piezoelectric materials are widely use in practical applications such as nondestructive testing devices, smart adaptive structures and medical devices. A thorough understanding of coupled electro-elastic response and properties of piezocomposite are crucial for the development and design of piezoelectric composite materials used in advanced applications. The micromechanics analysis is employed in this paper to determine the response and engineering properties of the piezocomposite. A mechanical imperfect interface bonding between piezoelectric inclusion and polymer matrix is taken into consideration in the analysis. The micromechanics analysis is based on the Boundary Element Method (BEM) together with the periodic micro-field micromechanics theory. A selected set of numerical results is presented to investigate the influence of volume ratio and interface bonding condition on effective piezocomposite material coefficients and portray basic features of coupled electroelastic response within the domain of piezocomposite unit cell.Keywords: effective engineering properties, electroelastic response, imperfect interface, piezocomposite
Procedia PDF Downloads 2334762 Damage in Cementitious Materials Exposed to Sodium Chloride Solution and Thermal Cycling: The Effect of Using Supplementary Cementitious Materials
Authors: Fadi Althoey, Yaghoob Farnam
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Sodium chloride (NaCl) can interact with the tricalcium aluminate (C3A) and its hydrates in concrete matrix. This interaction can result in formation of a harmful chemical phase as the temperature changes. It is thought that this chemical phase is embroiled in the premature concrete deterioration in the cold regions. This work examines the potential formation of the harmful chemical phase in various pastes prepared by using different types of ordinary portland cement (OPC) and supplementary cementitious materials (SCMs). The quantification of the chemical phase was done by using a low temperature differential scanning calorimetry. The results showed that the chemical phase formation can be reduced by using Type V cement (low content of C3A). The use of SCMs showed different behaviors on the formation of the chemical phase. Slag and Class F fly ash can reduce the chemical phase by the dilution of cement whereas silica fume can reduce the amount of the chemical phase by dilution and pozzolanic activates. Interestingly, the use of Class C fly ash has a negative effect on concrete exposed to NaCl through increasing the formation of the chemical phase.Keywords: concrete, damage, chemcial phase, NaCl, SCMs
Procedia PDF Downloads 1444761 Computational Chemical-Composition of Carbohydrates in the Context of Healthcare Informatics
Authors: S. Chandrasekaran, S. Nandita, M. Shivathmika, Srikrishnan Shivakumar
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The objective of the research work is to analyze the computational chemical-composition of carbohydrates in the context of healthcare informatics. The computation involves the representation of complex chemical molecular structure of carbohydrate using graph theory and in a deployable Chemical Markup Language (CML). The parallel molecular structure of the chemical molecules with or without other adulterants for the sake of business profit can be analyzed in terms of robustness and derivatization measures. The rural healthcare program should create awareness in malnutrition to reduce ill-effect of decomposition and help the consumers to know the level of such energy storage mixtures in a quantitative way. The earlier works were based on the empirical and wet data which can vary from time to time but cannot be made to reuse the results of mining. The work is carried out on the quantitative computational chemistry on carbohydrates to provide a safe and secure right to food act and its regulations.Keywords: carbohydrates, chemical-composition, chemical markup, robustness, food safety
Procedia PDF Downloads 3744760 Synthesis, Spectroscopic and Thermal Studies of Copper(I) Chlorido Complexes of Thioureas
Authors: Muhammad Mufakkar, Ghulam Hussain Bhatti, Maryem Rana
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The study of the coordination behavior of thiones is of considerable interest due to the similarity of their binding sites to those in living systems. The complexation of thiones towards Copper(I) has also received considerable attraction in view of their variable bonding modes, structural diversity and promising biological implications. Copper (I) complexes of thioureas of the general formula: CuLCl, CuL2Cl and CuL3Cl [where L= Thiourea and its N- and N, N/- mono and di alkyl and phenyl derivatives] have been prepared using Cu(I)CN in the presence of HCl. The complexes have been characterized by thermal, IR and NMR(1H and 13C) spectroscopy. An upfield shift in 13C NMR and downfield shifts in 1H NMR are consistent with the sulfur coordination to Copper(I). The disappearance of a band around 2200 cm⁻¹ in IR and a resonance around 146 ppm in 13C NMR indicates that during the course of reaction the cyanide group of the Copper(I) salt has been replaced by chloride leading to the formation of chlorido complexes.Keywords: Thiones, complexation, spectra, TGA, thermogram, chemical shifts, deshielding, resonance
Procedia PDF Downloads 2394759 Farmers’ Awareness and Behavior of Chemical Pesticide Uses in Suan Luang Sub-District Municipality, Ampawa, Samut Songkram, Thailand
Authors: Paiboon Jeamponk, Tikamporn Thipsaeng
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This paper is aimed to investigate farmers’ level of awareness and behavior of chemical pesticide uses, by using a case study of Suan Luang Sub- District Municipality, Ampawa, Samut Songkram Province. Questionnaire was employed in this study with the farmers from 46 households to explore their level of awareness in chemical pesticide uses, while interview and observation were adopted in exploring their behavior of chemical pesticide uses. The findings reflected the farmers’ high level of awareness in chemical pesticide uses in the hazardous effects of the chemical to human and environmental health, while their behavior of chemical pesticide uses explained their awareness paid to the right way of using pesticides, for instance reading the direction on the label, keeping children and animals away from the area of pesticide mixing, covering body with clothes and wearing hat and mask, no smoking, eating or drinking during pesticide spray or standing in windward direction.Keywords: awareness, behavior, pesticide, farmers
Procedia PDF Downloads 4294758 Tribological Study of TiC Powder Cladding on 6061 Aluminum Alloy
Authors: Yuan-Ching Lin, Sin-Yu Chen, Pei-Yu Wu
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This study reports the improvement in the wear performance of A6061 aluminum alloy clad with mixed powders of titanium carbide (TiC), copper (Cu) and aluminum (Al) using the gas tungsten arc welding (GTAW) method. The wear performance of the A6061 clad layers was evaluated by performing pin-on-disc mode wear test. Experimental results clearly indicate an enhancement in the hardness of the clad layer by about two times that of the A6061 substrate without cladding. Wear test demonstrated a significant improvement in the wear performance of the clad layer when compared with the A6061 substrate without cladding. Moreover, the interface between the clad layer and the A6061 substrate exhibited superior metallurgical bonding. Due to this bonding, the clad layer did not spall during the wear test; as such, massive wear loss was prevented. Additionally, massive oxidized particulate debris was generated on the worn surface during the wear test; this resulted in three-body abrasive wear and reduced the wear behavior of the clad surface.Keywords: GTAW、A6061 aluminum alloy, 、surface modification, tribological study, TiC powder cladding
Procedia PDF Downloads 4634757 Computational Quantum Mechanics Study of Oxygen as Substitutional Atom in Diamond
Authors: K. M. Etmimi, A. A. Sghayer, A. M. Gsiea, A. M. Abutruma
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Relatively few chemical species can be incorporated into diamond during CVD growth, and until recently the uptake of oxygen was thought to be low perhaps as a consequence of a short surface residence time. Within the literature, there is speculation regarding spectroscopic evidence for O in diamond, but no direct evidence. For example, the N3 and OK1 EPR centres have been tentatively assigned models made up from complexes of substitutional N and substitutional oxygen. In this study, we report density-functional calculations regarding the stability, electronic structures, geometry and hyperfine interaction of substitutional oxygen in diamond and show that the C2v, S=1 configuration very slightly lower in energy than the other configurations (C3v, Td, and C2v with S=0). The electronic structure of O in diamond generally gives rise to two defect-related energy states in the band gap one a non-degenerate a1 state lying near the middle of the energy gap and the other a threefold-degenerate t2 state located close to the conduction band edges. The anti-bonding a1 and t2 states will be occupied by one to three electrons for O+, O and O− respectively.Keywords: DFT, oxygen, diamond, hyperfine
Procedia PDF Downloads 3764756 Computation of Natural Logarithm Using Abstract Chemical Reaction Networks
Authors: Iuliia Zarubiieva, Joyun Tseng, Vishwesh Kulkarni
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Recent researches has focused on nucleic acids as a substrate for designing biomolecular circuits for in situ monitoring and control. A common approach is to express them by a set of idealised abstract chemical reaction networks (ACRNs). Here, we present new results on how abstract chemical reactions, viz., catalysis, annihilation and degradation, can be used to implement circuit that accurately computes logarithm function using the method of Arithmetic-Geometric Mean (AGM), which has not been previously used in conjunction with ACRNs.Keywords: chemical reaction networks, ratio computation, stability, robustness
Procedia PDF Downloads 1724755 Influence of [Emim][OAc] and Water on Gelatinization Process and Interactions with Starch
Authors: Shajaratuldur Ismail, Nurlidia Mansor, Zakaria Man
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Thermoplastic starch (TPS) plasticized by 1-ethyl-3-methylimidazolium acetate [Emim][OAc] were obtained through gelatinization process. The gelatinization process occurred in the presence of water and [Emim][OAc] as plasticizer at high temperature (90˚C). The influence of [Emim][OAc] and water on the gelatinization and interactions with starch have been studied over a range of compositions. The homogenous mass was obtained for the samples containing 35, 40 and 43.5 % of water contents which showed that water plays important role in gelatinization process. Detailed IR spectroscopy analysis showed decrease in hydrogen bonding intensity and strong interaction between acetate anion in [Emim][OAc] and starch hydroxyl groups in the presence of [Emim][OAc]. Starch-[Emim][OAc]-water mixture at 10-3-8.7 presented homogenous mass, less hydrogen bonding intensity and strong interaction between acetate anion in [Emim][OAc] and starch hydroxyl groups.Keywords: starch, ionic liquid, 1-ethyl-3-methylimidazolium acetate, plasticizer, gelatinization, IR spectroscopy
Procedia PDF Downloads 2294754 Chemical Analysis of Available Portland Cement in Libyan Market Using X-Ray Fluorescence
Authors: M. A. Elbagermia, A. I. Alajtala, M. Alkerzab
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This study compares the quality of different brands of Portland Cement (PC) available in Libyan market. The amounts of chemical constituents like SiO2, Al2O3, Fe2O3, CaO, MgO, SO3, and Lime Saturation Factor (LSF) were determined in accordance with Libyan (L.S.S) and Amrican (A.S.S) Standard Specifications. All the cement studies were found to be good for concrete work especially where no special property is required. The chemical and mineralogical analyses for studied clinker samples show that the dominant phases composition are C3S and C2S while the C3A and C4AF are less abundant.Keywords: Portland cement, chemical composition, Libyan market, X-Ray fluorescence
Procedia PDF Downloads 3614753 Adherence Induced Formwork Removal in Small-Scale Pull-Off Tensile Tests
Authors: Nicolas Spitz, Nicolas Coniglio, Mohamed El Mansori, Alex Montagne, Sabeur Mezghani
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Nowadays buildings' construction is performed by pouring concrete into molds referred to as formworks that are usually prefabricated metallic modules. Defects such as stripping may possibly form during the removal of the formwork if the interfacial bonding between the concrete and the formwork is high. A new pull-off tensile test was developed in our laboratory to simulate small-scale formwork removals. The concrete-to-formwork adherence force was measured on bare and coated formworks with different surface signatures. The used concrete was a mixture largely used on building sites and contains CEM I Portland cement and calcareous filler. The concrete surface appearance and the type of failures at the concrete-formwork interface have been investigated. The originality of this near-to-surface test was to compare the laboratory-measured adherence forces to the on-site observations. Based upon the small-scale laboratory test results, functional formwork specifications with low adherence to concrete was proposed in terms of superficial signature characteristics.Keywords: concrete-formwork adherence, interfacial bonding, skin formwork functionality, small-scale pull-off tensile test
Procedia PDF Downloads 2464752 Heavy Oil Recovery with Chemical Viscosity-Reduction: An Innovative Low-Carbon and Low-Cost Technology
Authors: Lin Meng, Xi Lu, Haibo Wang, Yong Song, Lili Cao, Wenfang Song, Yong Hu
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China has abundant heavy oil resources, and thermal recovery is the main recovery method for heavy oil reservoirs. However, high energy consumption, high carbon emission and high production costs make heavy oil thermal recovery unsustainable. It is urgent to explore a replacement for developing technology. A low Carbon and cost technology of heavy oil recovery, chemical viscosity-reduction in layer (CVRL), is developed by the petroleum exploration and development research institute of Sinopec via investigated mechanisms, synthesized products, and improved oil production technologies, as follows: (1) Proposed a cascade viscous mechanism of heavy oil. Asphaltene and resin grow from free molecules to associative structures further to bulk aggregations by π - π stacking and hydrogen bonding, which causes the high viscosity of heavy oil. (2) Aimed at breaking the π - π stacking and hydrogen bond of heavy oil, the copolymer of N-(3,4-dihydroxyphenethyl) acryl amide and 2-Acrylamido-2-methylpropane sulfonic acid was synthesized as a viscosity reducer. It achieves a viscosity reduction rate of>80% without shearing for heavy oil (viscosity < 50000 mPa‧s), of which fluidity is evidently improved in the layer. (3) Synthesized hydroxymethyl acrylamide-maleic acid-decanol ternary copolymer self-assembly plugging agent. The particle size is 0.1 μm-2 mm adjustable, and the volume is 10-500 times controllable, which can achieve the efficient transportation of viscosity reducer to enriched oil areas. CVRL has applied 400 wells until now, increasing oil production by 470000 tons, saving 81000 tons of standard coal, reducing CO2 emissions by 174000 tons, and reducing production costs by 60%. It promotes the transformation of heavy oil towards low energy consumption, low carbon emissions, and low-cost development.Keywords: heavy oil, chemical viscosity-reduction, low carbon, viscosity reducer, plugging agent
Procedia PDF Downloads 754751 Jute Based Biocomposites: The Future of Automobiles
Authors: D. P. Ray, L. Ammayappan, S. Debnath, R. K. Ghosh, D. Mondal, S. Dasgupta, S. Islam, S. Chakroborty, P. K. Ganguly, D. Nag
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Nature being bountiful is generous enough to provide rich resources to mankind. These resources can be used as an alternative to synthetics, thereby reducing the chances of environmental pollution. Natural fibre based composites have emerged as a successful trend in recent automobile industry. Natural fibre based composites used in automobile industries not only reduces their fuel consumption but also do not pose any health hazards. In spite of the use of natural fibre based bio composite in automobile industries, its use is only being limited to interior products. However, its major drawbacks which contributed to limited scope in the field of industry are reduced durability and mechanical strength. Thereby, the use of natural fibre based bio composites as headliner in case of automobile industries is also not successfully deployed. Out of all the natural fibres available, jute can widely be used as automobile parts because of its easy availability, comparatively higher specific strength, lower density, low thermal conductivity and most importantly its non polluting and non abrasive nature. Various research outcomes in the field of jute based biocomposites for the use of automobile industries has not successfully being deployed due to certain inherent problem of the fibre. Jute being hydrophilic in nature is not readily adhered to the hydrophobic polyester resin. Therefore introduction of a chemical compatibilizer, in the preparation of jute based composites have been tested to enhance the mechanical and durable properties of the material to a greater extent. This present work therefore focuses on the synthesis of a suitable compatibilizer, acting as a chemical bridge between the polar jute fabric and the non polar resin matrix. This in turn results in imparting better interfacial bonding between the two, thereby inducing higher mechanical strength. These coupling treated fabrics are casted into composites and tested for their mechanical properties. The test reports show a remarkable change in all of its properties. The durability test was performed by soil burial test method.Keywords: jute, automobile industry, biodegradability, chemical compatibilizer
Procedia PDF Downloads 4584750 Gamma Irradiation Effect on Structural and Optical Properties of Bismuth-Boro-Tellurite Glasses
Authors: Azuraida Amat, Halimah Mohamed Kamari, Che Azurahanim Che Abdullah, Ishak Mansor
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The changes of the optical and structural properties of Bismuth-Boro-Tellurite glasses pre and post gamma irradiation were studied. Six glass samples, with different compositions [(TeO2)0.7 (B2O3)0.3]1-x (Bi2O3)x prepared by melt quenching method were irradiated with 25kGy gamma radiation at room temperature. The Fourier Transform Infrared Spectroscopy (FTIR) was used to explore the structural bonding in the prepared glass samples due to exposure, while UV-VIS Spectrophotometer was used to evaluate the changes in the optical properties before and after irradiation. Gamma irradiation causes a profound changes in the peak intensity as shown by FTIR spectra which is due to the breaking of the network bonding. Before gamma irradiation, the optical band gap, Eg value decreased from 2.44 eV to 2.15 eV with the addition of Bismuth content. The value kept decreasing (from 2.18 eV to 2.00 eV) following exposure to gamma radiation due to the increase of non-bridging oxygen (NBO) and the increase of defects in the glass. In conclusion, the glass with high content of Bi2O3 (0.30Bi) give the smallest Eg and show less changes in FTIR spectra after gamma irradiation, which indicate that this glass is more resistant to gamma radiation compared to other glasses.Keywords: boro-tellurite, bismuth, gamma radiation, optical properties
Procedia PDF Downloads 4274749 Adoption of Big Data by Global Chemical Industries
Authors: Ashiff Khan, A. Seetharaman, Abhijit Dasgupta
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The new era of big data (BD) is influencing chemical industries tremendously, providing several opportunities to reshape the way they operate and help them shift towards intelligent manufacturing. Given the availability of free software and the large amount of real-time data generated and stored in process plants, chemical industries are still in the early stages of big data adoption. The industry is just starting to realize the importance of the large amount of data it owns to make the right decisions and support its strategies. This article explores the importance of professional competencies and data science that influence BD in chemical industries to help it move towards intelligent manufacturing fast and reliable. This article utilizes a literature review and identifies potential applications in the chemical industry to move from conventional methods to a data-driven approach. The scope of this document is limited to the adoption of BD in chemical industries and the variables identified in this article. To achieve this objective, government, academia, and industry must work together to overcome all present and future challenges.Keywords: chemical engineering, big data analytics, industrial revolution, professional competence, data science
Procedia PDF Downloads 864748 Normal Coordinate Analysis, Molecular Structure, Vibrational, Electronic Spectra, and NMR Investigation of 4-Amino-3-Phenyl-1H-1,2,4-Triazole-5(4H)-Thione by Ab Initio HF and DFT Method
Authors: Khaled Bahgat
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In the present work, the characterization of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione (APTT) molecule was carried out by quantum chemical method and vibrational spectral techniques. The FT-IR (4000–400 cm_1) and FT-Raman (4000–100 cm_1) spectra of APTT were recorded in solid phase. The UV–Vis absorption spectrum of the APTT was recorded in the range of 200–400 nm. The molecular geometry, harmonic vibrational frequencies and bonding features of APTT in the ground state have been calculated by HF and DFT methods using 6-311++G(d,p) basis set. The complete vibrational frequency assignments were made by normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMF). The molecular stability and bond strength were investigated by applying the natural bond orbital analysis (NBO) and natural localized molecular orbital (NLMO) analysis. The electronic properties, such as excitation energies, absorption wavelength, HOMO and LUMO energies were performed by time depended DFT (TD-DFT) approach. The 1H and 13C nuclear magnetic resonance chemical shift of the molecule were calculated using the gauge-including atomic orbital (GIAO) method and compared with experimental results. Finally, the calculation results were analyzed to simulate infrared, FT-Raman and UV spectra of the title compound which shows better agreement with observed spectra.Keywords: 4-amino-3-phenyl-1H-1, 2, 4-triazole-5(4H)-thione, vibrational assignments, normal coordinate analysis, quantum mechanical calculations
Procedia PDF Downloads 4734747 Carbon Nanofilms on Diamond for All-Carbon Chemical Sensors
Authors: Vivek Kumar, Alexander M. Zaitsev
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A study on chemical sensing properties of carbon nanofilms on diamond for developing all-carbon chemical sensors is presented. The films were obtained by high temperature graphitization of diamond followed by successive plasma etchings. Characterization of the films was done by Raman spectroscopy, atomic force microscopy, and electrical measurements. Fast and selective response to common organic vapors as seen as sensitivity of electrical conductance was observed. The phenomenological description of the chemical sensitivity is proposed as a function of the surface and bulk material properties of the films.Keywords: chemical sensor, carbon nanofilm, graphitization of diamond, plasma etching, Raman spectroscopy, atomic force microscopy
Procedia PDF Downloads 4474746 Study of the Adsorption of Metal Ions Ag+ Mg2+, Ni2+ by the Chemical and Electrochemical Polydibenzoether Crown
Authors: Dalila Chouder, Djaafer Benachour
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This work concerns the study of the adsorption of metal ions Ag +, Mg +, and Ni2+ in aqueous medium by polydibenzoether-ROWN based on three factors: Temperature, time and concentration. The polydibenzoether crown was synthesized by two means: Chemical and electrochemical. The behavior of the two polymers has been different, and turns out very interesting for chemical polydibenzoether crown has identified conditions. Chemical and électronique polydibenzoether crown have different extraction screw vi property of adsoption of ions fifférents, this study also shows that plyméres doped may have an advantageous electrical conductivity.Keywords: polymerization, electrochemical, conductivity, complexing metal ions
Procedia PDF Downloads 2674745 Superior Wear Performance of CoCrNi Matrix Composite Reinforced with Quasi-Continuously Networked Graphene Nanosheets and In-Situ Carbide
Authors: Wenting Ye
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The biological materials evolved in nature generally exhibit interpenetrating network structures, which may offer useful inspiration for the architectural design of wear-resistant composites. Here, a strategy for designing self-lubricating medium entropy alloy (MEA) composites with high strength and excellent anti-wear performance was proposed through quasi-continuously networked in-situ carbides and graphene nanosheets. The discontinuous coating of graphene on the MEA powder surface inhibits continuous metallurgy bonding of the MEA powders during sintering, generating the typical quasi-continuously networked architecture. A good combination of mechanical properties with high fracture strength over 2 GPa and large compressive plasticity over 30% benefits from metallurgy bonding that prevents crack initiation and extension. The wear rate of an order of 10-6 m3N-1m-1 ascribing to an amorphous-crystalline nanocomposite surface, tribo-film induced by graphene, as well as the gradient worn subsurface during friction was achieved by the MEA composite, which is an order of magnitude lower than the unreinforced MEA matrix.Keywords: in-situ carbide, tribological behavior, medium entropy alloy matrix composite, graphene
Procedia PDF Downloads 374744 Effect of Pressure and Glue Spread on the Bonding Properties of CLT Panels Made from Low-Grade Hardwood
Authors: Sumanta Das, Miroslav Gašparík, Tomáš Kytka, Anil Kumar Sethy
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In this modern century, Cross-laminated timber (CLT) evolved as an excellent material for building and high load-bearing structural applications worldwide. CLT is produced mainly from softwoods such as Norway spruce, White fir, Scots pine, European larch, Douglas fir, and Swiss stone pine. The use of hardwoods in CLT production is still at an early stage, and the utilization of hardwoods is expected to provide the opportunity for obtaining higher bending stiffness and shear resistance to CLT panels. In load-bearing structures like CLT, bonding is an important character that is needed to evaluate. One particular issue with using hardwood lumber in CLT panels is that it is often more challenging to achieve a strong, durable adhesive bond. Several researches in the past years have already evaluated the bonding properties of CLT panels from hardwood both from higher and lower densities. This research aims to identify the effect of pressure and glue spread and evaluate which poplar lumber characteristics affect adhesive bond quality. Three-layered CLT panels were prepared from poplar wood with one-component polyurethane (PUR) adhesive by applying pressure of 0.6 N/mm2 and 1 N/mm2 with a glue spread rate of 160 and 180 g/m2. The delamination and block shear tests were carried out as per EN 16351:2015, and the wood failure percentage was also evaluated. The results revealed that glue spread rate and applied pressure significantly influenced both the shear bond strength and wood failure percentage of the CLT. However, samples with lower pressure 0.6 N/mm2 and less glue spread rate showed delamination, and in samples with higher pressure 1 N/mm2 and higher glue spread rate, no delamination was observed. All the properties determined by this study met the minimum requirement mentioned in EN 16351:2015 standard.Keywords: cross-laminated timber, delamination, glue spread rate, poplar, pressure, PUR, shear strength, wood failure percentage
Procedia PDF Downloads 1634743 Preparation of Magnetic Hydroxyapatite Composite by Wet Chemical Process for Phycobiliproteins Adsorption
Authors: Shu-Jen Chen, Yi-Chien Wan, Ruey-Chi Wang
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Hydroxyapatite (Ca10(PO4)6(OH)2, HAp) can be applied to the fabrication of bone replacement materials, the composite of dental filling, and the adsorption of biomolecules and dyes. The integration of HAp and magnetic materials would offer several advantages for bio-separation process because the magnetic adsorbents is capable of recovered by applied magnetic field. C-phycocyanin (C-PC) and Allophycocyanin (APC), isolated from Spirulina platensis, can be used in fluorescent labeling probes, health care foods and clinical diagnostic reagents. Although the purification of C-PC and APC are reported by HAp adsorption, the adsorption of C-PC and APC by magnetic HAp composites was not reported yet. Therefore, the fabrication of HAp with magnetic silica nanoparticles for proteins adsorption was investigated in this work. First, the magnetic silica particles were prepared by covering silica layer on Fe3O4 nanoparticles with a reverse micelle method. Then, the Fe3O4@SiO2 nanoparticles were mixed with calcium carbonate to obtain magnetic silica/calcium carbonate composites (Fe3O4@SiO2/CaCO3). The Fe3O4@SiO2/CaCO3 was further reacted with K2HPO4 for preparing the magnetic silica/hydroxyapatite composites (Fe3O4@SiO2/HAp). The adsorption experiments indicated that the adsorption capacity of Fe3O4@SiO2/HAp toward C-PC and APC were highest at pH 6. The adsorption of C-PC and APC by Fe3O4@SiO2/HAp could be correlated by the pseudo-second-order model, indicating chemical adsorption dominating the adsorption process. Furthermore, the adsorption data showed that the adsorption of Fe3O4@SiO2/HAp toward C-PC and APC followed the Langmuir isotherm. The isoelectric points of C-PC and APC were around 5.0. Additionally, the zeta potential data showed the Fe3O4@SiO2/HAp composite was negative charged at pH 6. Accordingly, the adsorption mechanism of Fe3O4@SiO2/HAp toward C-PC and APC should be governed by hydrogen bonding rather than electrostatic interaction. On the other hand, as compared to C-PC, the Fe3O4@SiO2/HAp shows higher adsorption affinity toward APC. Although the Fe3O4@SiO2/HAp cannot recover C-PC and APC from Spirulina platensis homogenate, the Fe3O4@SiO2/HAp can be applied to separate C-PC and APC.Keywords: hydroxyapatite, magnetic, C-phycocyanin, allophycocyanin
Procedia PDF Downloads 1544742 Modification of Polyurethane Adhesive for OSB/EPS Panel Production
Authors: Stepan Hysek, Premysl Sedivka, Petra Gajdacova
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Currently, structural composite materials contain cellulose-based particles (wood chips, fibers) bonded with synthetic adhesives containing formaldehyde (urea-formaldehyde, melamine-formaldehyde adhesives and others). Formaldehyde is classified as a volatile substance with provable carcinogenic effects on live organisms, and an emphasis has been put on continual reduction of its content in products. One potential solution could be the development of an agglomerated material which does not contain adhesives releasing formaldehyde. A potential alternative to formaldehyde-based adhesives could be polyurethane adhesives containing no formaldehyde. Such adhesives have been increasingly used in applications where a few years ago formaldehyde-based adhesives were the only option. Advantages of polyurethane adhesive in comparison with others in the industry include the high elasticity of the joint, which is able to resist dynamic stress, and resistance to increased humidity and climatic effects. These properties predict polyurethane adhesives to be used in OSB/EPS panel production. The objective of this paper is to develop an adhesive for bonding of sandwich panels made of material based on wood and other materials, e.g. SIP) and optimization of input components in order to obtain an adhesive with required properties suitable for bonding of the given materials without involvement of formaldehyde. It was found that polyurethane recyclate as a filler is suitable modification of polyurethane adhesive and results have clearly revealed that modified adhesive can be used for OSB/EPS panel production.Keywords: adhesive, polyurethane, recyclate, SIP
Procedia PDF Downloads 2764741 Evaluating the Prominence of Chemical Phenomena in Chemistry Courses
Authors: Vanessa R. Ralph, Leah J. Scharlott, Megan Y. Deshaye, Ryan L. Stowe
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Given the traditions of chemistry teaching, one may not question whether chemical phenomena play a prominent role. Yet, the role of chemical phenomena in an introductory chemistry course may define the extent to which the course is introductory, chemistry, and equitable. Picture, for example, the classic Ideal Gas Law problem. If one envisions a prompt wherein students are tasked with calculating a missing variable, then one envisions a prompt that relies on chemical phenomena as a context rather than as a model to understand the natural world. Consider a prompt wherein students are tasked with applying molecular models of gases to explain why the vapor pressure of a gaseous solution of water differs from that of carbon dioxide. Here, the chemical phenomenon is not only the context but also the subject of the prompt. Deliveries of general and organic chemistry were identified as ranging wildly in the integration of chemical phenomena. The more incorporated the phenomena, the more equitable the assessment task was for students of varying access to pre-college math and science preparation. How chemical phenomena are integrated may very well define whether courses are chemistry, are introductory, and are equitable. Educators of chemistry are invited colleagues to discuss the role of chemical phenomena in their courses and consider the long-lasting impacts of replicating tradition for tradition’s sake.Keywords: equitable educational practices, chemistry curriculum, content organization, assessment design
Procedia PDF Downloads 1974740 Active Thermography Technique for High-Entropy Alloy Characterization Deposited with Cold Spray Technique
Authors: Nazanin Sheibanian, Raffaella Sesana, Sedat Ozbilen
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In recent years, high-entropy alloys (HEAs) have attracted considerable attention due to their unique properties and potential applications. In this study, novel HEA coatings were prepared on Mg substrates using mechanically alloyed HEA powder feedstocks based on Al_(0.1-0.5)CoCrCuFeNi and MnCoCrCuFeNi multi-material systems. The coatings were deposited by the Cold Spray (CS) process using three different temperatures of the process gas (N2) (650°C, 750°C, and 850°C) to examine the effect of gas temperature on coating properties. In this study, Infrared Thermography (non-destructive) was examined as a possible quality control technique for HEA coatings applied to magnesium substrates. Active Thermography was employed to characterize coating properties using the thermal response of the coating. Various HEA chemical compositions and deposition temperatures have been investigated. As a part of this study, a comprehensive macro and microstructural analysis of Cold Spray (CS) HEA coatings has been conducted using macrophotography, optical microscopy, scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM+EDS), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), microhardness tests, roughness measurements, and porosity assessments. These analyses provided insight into phase identification, microstructure characterization, deposition, particle deformation behavior, bonding mechanisms, and identifying a possible relationship between physical properties and thermal responses. Based on the figures and tables, it is evident that the Maximum Relative Radiance (∆RMax) of each sample differs depending on both the chemical composition of HEA and the temperature at which Cold Spray is applied.Keywords: active thermography, coating, cold spray, high- entropy alloy, material characterization
Procedia PDF Downloads 724739 Lifetime Attachment: Adult Daughters Attachment to Their Old Mothers
Authors: Meltem Anafarta Şendağ, Funda Kutlu
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Attachment theory has some major postulates that direct attention of psychologists from many different domains. First, the theory suggests that attachment is a lifetime process. This means that every human being from cradle to grave needs someone stronger to depend on in times of stress. Second, the attachment is a dynamic process and as one goes through developmental stages it is being transferred from one figure to another (friends, romantic partners). Third, the quality of attachment relationships later in time directly affected by the earliest attachment relationship established between the mother and the infant. Depending on these postulates, attachment literature focuses mostly on mother – child attachment during childhood and romantic relationship during adulthood. However, although romantic partners are important attachment figures in adults’ life, parents are not dropped out from the attachment hierarchy but they keep being important attachment figures. Despite the fact that parents could still be an important figure in adults’ life, adult – parent attachment is overlooked in the literature. Accordingly, this study focuses on adult daughters’ current attachment to their old mothers in relation with early parental bonding and current attachment to husbands. Participants of the study were 383 adult women (Average age = 40, ranging between 23 and 70) whose mothers were still alive and who were married at the time of the study. Participants were completed Adult Attachment Scale, Parental Bonding Instrument, and Experiences in Close Relationship – II together with demographic questionnaire. Results revealed that daughters’ attachment to their mothers weakens as they get older, have more children, and have longer marriages. Stronger attachment to mothers was found positively correlated with current satisfaction with the relationship, perception of maternal care before the age of 12 and negatively correlated with perception of controlling behavior before the age 12. Considering the relationship between current parental attachment and romantic attachment, it was found that as the current attachment to mother strengthens attachment avoidance towards husband decreases. Results revealed that although attachment between the adult daughters and old mothers weakens, the relationship is still critical in daughters’ lives. The strength of current attachment with the mother is related both with the early relationship with the mother and current attachment with the husband. The current study is thought to contribute to attachment theory emphasizing the attachment as a lifetime construct.Keywords: adult daughter, attachment, old mothers, parental bonding
Procedia PDF Downloads 332