Search results for: catalytic decomposition

Authors: Gabor Varga, Krisztina Karadi, Zoltan Konya, Akos Kukovecz, Pal Sipos, Istvan Palinko

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Nickel can efficiently replace palladium in the Heck, Suzuki and Negishi reactions. This study focuses on the synthesis and catalytic application of Ni(II)-containing layered double hydroxides (LDHs) and layered triple hydroxides (LTHs). Our goals were to incorporate Ni(II) ions among the layers of LDHs or LTHs, or binding it to their surface or building it into their layers in such a way that their catalytic activities are maintained or even increased. The LDHs and LTHs were prepared by the co-precipitation method using ethylene glycol as co-solvent. In several cases, post-synthetic modifications (e.g., thermal treatment) were performed. After optimizing the synthesis conditions, the composites displayed good crystallinity and were free of byproducts. The success of the syntheses and the post-synthetic modifications was confirmed by relevant characterization methods (XRD, SEM, SEM-EDX and combined IR techniques). Catalytic activities of the produced and well-characterized solids were investigated through the Heck reaction. The composites behaved as efficient, recyclable catalysts in the Heck reaction between 4-bromoanisole and styrene. Through varying the reaction parameters, we were able to obtain acceptable conversions under mild conditions. Our study highlights the possibility of the application of Ni(II)-containing composites as efficient catalysts in coupling reactions.

Keywords: layered double hydroxide, layered triple hydroxide, heterogeneous catalysis, heck reaction

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Authors: L. M. Ombaka, R. S. Oosthuizen, P. G. Ndungu, V. O. Nyamori

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Understanding the role of nitrogen species on the catalytic properties of nitrogen-doped carbon nanotubes (N-CNTs) as catalysts supports is critical as nitrogen species influence the support’s properties. To evaluate the influence of pyrrolic nitrogen on the physicochemical properties and catalytic activity of N-CNTs supported Pd (Pd/N-CNTs); N-CNTs containing varying pyrrolic contents were synthesized. The catalysts were characterised by the use of transmission electron microscope (TEM), scanning electron microscope, X-ray photoelectron spectroscopy (XPS), X-ray diffraction, Fourier transform infrared spectroscopy, and temperature programmed reduction. TEM analysis showed that the Pd nanoparticles were mainly located along the defect sites on N-CNTs. XPS analysis revealed that the abundance of Pd0 decreased while that of Pd2+ increased as the quantity of pyrrolic nitrogen increased. The increase of Pd2+ species was accredited to the formation of stable Pd-N coordination complexes which prevented further reduction of Pd2+ to Pd0 during synthesis. The formed Pd-N complexes increased the stability and dispersion of Pd2+ nanoparticles. The selective hydrogenation of nitrobenzophenone to aminobenzophenone over Pd/N-CNTs was compared to that of Pd on carbon nanotubes (Pd/CNTs). Pd/N-CNTs showed a higher catalytic activity and selectivity compared with Pd/CNTs. Pyrrolic nitrogen functional groups significantly promoted the selectivity towards aminobenzophenone formation.

Keywords: pyrrolic N-CNTs, hydrogenation reactions, chemical vapour deposition technique

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Authors: Yousef M. Al-Roomi, Kaneez Fatema Hussain

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This work evaluates the thermal degradation kinetic parameters of CaSO₄-complex isolated after the inhibition effect of maleic-anhydride based polymer (YMR-polymers). Pyrolysis experiments were carried out at four heating rates (5, 10, 15 and 20°C/min). Several analytical model-free methods were used to determine the kinetic parameters, including Friedman, Coats and Redfern, Kissinger, Flynn-Wall-Ozawa and Kissinger-Akahira–Sunose methods. The Criado model fitting method based on real mechanism followed in thermal degradation of the complex has been applied to explain the degradation mechanism of CaSO₄-complex. In addition, a simple dynamic model was proposed over two temperature ranges for successive decomposition of CaSO₄-complex which has a combination of organic and inorganic part (adsorbed polymer + CaSO₄.2H₂O scale). The model developed enabled the assessment of pre-exponential factor (A) and apparent activation-energy (Eₐ) for both stages independently using a mathematical developed expression based on an integral solution. The unique reaction mechanism approach applied in this study showed that (Eₐ₁-160.5 kJ/mole) for organic decomposition (adsorbed polymer stage-I) has been lower than Eₐ₂-388 kJ/mole for the CaSO₄ decomposition (inorganic stage-II). Further adsorbed YMR-antiscalant not only reduced the decomposition temperature of CaSO₄-complex compared to CaSO₄-blank (CaSO₄.2H₂O scales in the absence of YMR-polymer) but also distorted the crystal lattice of the organic complex of CaSO₄ precipitates, destroying their compact and regular crystal structures observed from XRD and SEM studies.

Keywords: CaSO₄-complex, maleic-anhydride polymers, thermal degradation kinetics and mechanism, XRD and SEM studies

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Authors: Mahshid Davoodpoor, Zahra Shamohammadi Ghahsareh, Saeid Razfar, Alaleh Dabbaghi

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Nowadays, air pollution has become a topic of great concern all over the world. One of the main sources of air pollution is automobile exhaust gas, which introduces a large number of toxic gases, including CO, unburned hydrocarbons (HCs), NOx, and non-methane hydrocarbons (NMHCs), into the air. The application of three-way catalysts (TWCs) is still the most effective strategy to mitigate the emission of these pollutants. Due to the stringent environmental regulations which continuously become stricter, studies on the TWCs are ongoing despite several years of research and development. This arises from the washcoat complexity and the several numbers of parameters involved in the redox reactions. The main objectives of these studies are the optimization of washcoat formulation and the investigation of different coating modes. Perovskite (ABO₃), as a promising class of materials, has unique features that make it versatile to use as an alternative to commonly mixed oxides in washcoats. High catalytic activity for oxidation reactions and its relatively high oxygen storage capacity are important properties of perovskites in catalytic applications. Herein, La₀.₈Ba₀.₂FeO₃ perovskite material was synthesized using the co-precipitation method and characterized by XRD, ICP, and BET analysis. The effect of synthesis conditions, including B site metal (Fe and Co), metal precursor concentration, and dopant (Ba), were examined on the phase purity of the products. The selected perovskite sample was used as one of the components in the TWC formulation to evaluate its catalytic performance through Light-off, oxygen storage capacity, and emission analysis. Results showed a remarkable increment in oxygen storage capacity and also revealed that T50 and emission of CO, HC, and NOx reduced in the presence of perovskite structure which approves the enhancement of catalytic performance for the new washcoat formulation. This study shows the brilliant future of advanced oxide structures in the TWCs.

Keywords: Perovskite, three-way catalyst, PGMs, PGMs reduction

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Authors: Anahita Mortazavi Manesh, Mojtaba Bagherzadeh

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Metalloporphyrins are well known to mimic the activity of monooxygenase enzymes. In this regard, metalloporphyrin complexes have been largely employed as valuable biomimetic catalysts, owing to the critical roles they play in oxygen transfer processes in catalytic oxidation reactions. Investigating in this area is based on different strategies to design selective, stable and high turnover catalytic systems. Immobilization of expensive metalloporphyrin catalysts onto supports appears to be a good way to improve their stability, selectivity and the catalytic performance because of the support environment and other advantages with respect to recovery, reuse. In other words, supporting metalloporphyrins provides a physical separation of active sites, thus minimizing catalyst self-destruction and dimerization of unhindered metalloporphyrins. Furthermore, heterogeneous catalytic oxidations have become an important target since their process are used in industry, helping to minimize the problems of industrial waste treatment. Hence, the immobilization of these biomimetic catalysts is much desired. An attractive approach is the preparation of the heterogeneous catalyst involves immobilization of complexes on silica coated magnetic nano-particles. Fe3O4@SiO2 magnetic nanoparticles have been studied extensively due to their superparamagnetism property, large surface area to volume ratio and easy functionalization. Using heterogenized homogeneous catalysts is an attractive option to facile separation of catalyst, simplified product work-up and continuity of catalytic system. Homogeneous catalysts immobilized on magnetic nanoparticles (MNPs) surface occupy a unique position due to combining the advantages of both homogeneous and heterogeneous catalysts. In addition, superparamagnetic nature of MNPs enable very simple separation of the immobilized catalysts from the reaction mixture using an external magnet. In the present work, an efficient heterogeneous catalyst was prepared by immobilizing manganese porphyrin on functionalized magnetic nanoparticles through the amino propyl linkage. The prepared catalyst was characterized by elemental analysis, FT-IR spectroscopy, X-ray powder diffraction, atomic absorption spectroscopy, UV-Vis spectroscopy, and scanning electron microscopy. Application of immobilized metalloporphyrin in the oxidation of various organic substrates was explored using Gas chromatographic (GC) analyses. The results showed that the supported Mn-porphyrin catalyst (Fe3O4@SiO2-NH2@MnPor) is an efficient and reusable catalyst in oxidation reactions. Our catalytic system exhibits high catalytic activity in terms of turnover number (TON) and reaction conditions. Leaching and recycling experiments revealed that nanocatalyst can be recovered several times without loss of activity and magnetic properties. The most important advantage of this heterogenized catalytic system is the simplicity of the catalyst separation in which the catalyst can be separated from the reaction mixture by applying a magnet. Furthermore, the separation and reuse of the magnetic Fe3O4 nanoparticles were very effective and economical.

Keywords: Fe3O4 nanoparticle, immobilized metalloporphyrin, magnetically separable nanocatalyst, oxidation reactions

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Authors: Isara Muangthai, Lin Sue Jane

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Electricity is vital to every country’s economy in the world. For Thailand, the electricity generation sector plays an important role in the economic system, and it is the largest source of CO2 emissions. The aim of this paper is to use the decomposition analysis to investigate the key factors contributing to the changes of CO2 emissions from the electricity sector. The decomposition analysis has been widely used to identify and assess the contributors to the changes in emission trends. Our study adopted the Divisia index decomposition to identify the key factors affecting the evolution of CO2 emissions from Thailand’s thermal power sector during 2000-2011. The change of CO2 emissions were decomposed into five factors, including: Emission coefficient, heat rate, fuel intensity, electricity intensity, and economic growth. Results have shown that CO2 emission in Thailand’s thermal power sector increased 29,173 thousand tons during 2000-2011. Economic growth was found to be the primary factor for increasing CO2 emissions, while the electricity intensity played a dominant role in decreasing CO2 emissions. The increasing effect of economic growth was up to 55,924 million tons of CO2 emissions because the growth and development of the economy relied on a large electricity supply. On the other hand, the shifting of fuel structure towards a lower-carbon content resulted in CO2 emission decline. Since the CO2 emissions released from Thailand’s electricity generation are rapidly increasing, the Thailand government will be required to implement a CO2 reduction plan in the future. In order to cope with the impact of CO2 emissions related to the power sector and to achieve sustainable development, this study suggests that Thailand’s government should focus on restructuring the fuel supply in power generation towards low carbon fuels by promoting the use of renewable energy for electricity, improving the efficiency of electricity use by reducing electricity transmission and the distribution of line losses, implementing energy conservation strategies by enhancing the purchase of energy-saving products, substituting the new power plant technology in the old power plants, promoting a shift of economic structure towards less energy-intensive services and orienting Thailand’s power industry towards low carbon electricity generation.

Keywords: co2 emission, decomposition analysis, electricity generation, energy consumption

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Authors: Xiangjun Li, Huaiyuan Tian, Wujie Zhang, Dianhua Liu

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Polyoxymethylene dimethyl ethers (PODE_n) as clean diesel additive can improve the combustion efficiency and quality of diesel fuel and alleviate the problem of atmospheric pollution. Considering synthetic routes, PODE production from methanol and formaldehyde is regarded as the most economical and promising synthetic route. However, methanol used for synthesizing PODE can produce water, which causes the loss of active center of catalyst and hydrolysis of PODE_n in the production process. Macroporous strong acidic cation exchange resin catalyst was prepared, which has comparative advantages over other common solid acid catalysts in terms of stability and catalytic efficiency for synthesizing PODE. Catalytic reactions were carried out under 353 K, 1 MPa and 3mL·g_cat^-1·h^-1 in a fixed bed reactor. Methanol conversion and PODE_3-6 selectivity reached 49.91% and 23.43%, respectively. Catalyst lifetime evaluation showed that resin catalyst retained its catalytic activity for 20 days without significant changes and catalytic activity of completely deactivated resin catalyst can basically return to previous level by simple acid regeneration. The acid exchange capacities of original and deactivated catalyst were 2.5191 and 0.0979 mmol·g^-1, respectively, while regenerated catalyst reached 2.0430 mmol·g^-1, indicating that the main reason for resin catalyst deactivation is that Brønsted acid sites of original resin catalyst were temporarily replaced by non-hydrogen ion cations. A separation process consisting of extraction and distillation for PODE_3-6 product was designed for separation of water and unreacted formaldehyde from reactive mixture and purification of PODE_3-6, respectively. The concentration of PODE_3-6 in final product can reach up to 97%. These results indicate that the scale-up production of PODE_3-6 from methanol and formaldehyde solution is feasible.

Keywords: inactivation, polyoxymethylene dimethyl ethers, separation process, sulfonic cation exchange resin

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Authors: Ehsan Heidaryan

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Gas hydrate sediments are ice like permafrost in deep see and oceans. Methane production in sequestration process and reducing atmospheric carbon dioxide, a main source of greenhouse gas, has been accentuated recently. One focus is capture, separation, and sequestration of industrial carbon dioxide. As a hydrate former, carbon dioxide forms hydrates at moderate temperatures and pressures. This phenomenon could be utilized to capture and separate carbon dioxide from flue gases, and also has the potential to sequester carbon dioxide in the deep seabeds. This research investigated the effect of synthetic surfactants on carbon dioxide hydrate formation, catalysis and consequently, methane production from hydrate permafrosts in sediments. It investigated the sequestration potential of carbon dioxide hydrates in ocean sediments. Also, the catalytic effect of biosurfactants in these processes was investigated.

Keywords: carbon dioxide, hydrate, sequestration, surfactant

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Authors: Nikolai Krainiukov, Boris Melnikov

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We study the properties of maximal prefix codes. The codes have many applications in computer science, theory of formal languages, data processing and data classification. Practical application is based on the representation of the maximal prefix codes as a sequence of words in a specific order. Our approach to study uses finite state automata (so-called flower automata) for the representation of prefix codes. An important task is the decomposition of prefix codes into prime prefix codes (factors). We discuss the properties of such prefix code decompositions. A linear time algorithm is designed which find the prime decomposition. To verify the correctness of the proposed algorithms, we implemented a system computer algebra GAP.

Keywords: maximal prefix code, regular languages, flower automata, prefix code decomposing

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Authors: Anthony R. Hassan, Jacob A. Gbadeyan

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In this paper, the analysis of a reactive hydromagnetic Poiseuille fluid flow under each of sensitized, Arrhenius and bimolecular chemical kinetics through a channel in the presence of heat source is carried out. An exothermic reaction is assumed while the concentration of the material is neglected. Adomian Decomposition Method (ADM) together with Pade Approximation is used to obtain the solutions of the governing nonlinear non – dimensional differential equations. Effects of various physical parameters on the velocity and temperature fields of the fluid flow are investigated. The entropy generation analysis and the conditions for thermal criticality are also presented.

Keywords: chemical kinetics, entropy generation, thermal criticality, adomian decomposition method (ADM) and pade approximation

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Authors: Srinivasapriyan Vijayan

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Phenol is one of the most vital chemical in industry. Nowadays, phenol production is based upon the three-step cumene process, which involves a hazardous cumene hydroperoxide intermediate and produces nearly equimolar amounts of acetone as a coproduct. An attractive route in phenol production is the direct one-step selective hydroxylation of benzene using eco-friendly oxidants such as O2, N2O, and H2O2. In particular, the direct hydroxylation of benzene to form phenol with O2 has recently attracted extensive research attention because this process is green clean and eco-friendly. However, most of the catalytic systems involving O2 have a low rate of hydroxylation because the direct introduction of hydroxyl functionality into benzene is challenging. Almost all the developed catalytic systems require an elevated temperature and suffer from low conversion because of the notoriously low reactivity of aromatic C–H bonds. Moreover, increased reactivity of phenol relative to benzene makes the selective oxidation of benzene to phenol very difficult, especially under heating conditions. Hollow spheres, a very fascinating class of materials with good permeation and low density, highly monodisperse MOF hollow sandwich spheres have been rationally synthesized using monodisperse polystyrene (PS) nanoparticles as templates through a versatile step-by-step self-assembly strategy. So, our findings could pave the way toward highly efficient nonprecious catalysts for low-temperature oxidation reactions in heterogeneous catalysis. Because it is easy post-reaction separation, its cheap, green and recyclable.

Keywords: benzene hydroxylation, Fe-based metal organic frameworks, molecular oxygen, phenol

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Authors: Huseyin Altundag, Emel Bina, Esra Altıntıg

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The aim of this study is determining amount of Al, Cu, Fe, Mn, Ni, Pb and Zn in the samples of honey which are gathered from Sakarya and Istanbul regions. In this study the evaluation of the trace elements in honeys samples are gathered from Sakarya and Istanbul, Turkey. The sample preparation phase is performed via wet decomposition method and microwave digestion system. The accuracy of the method was corrected by the standard reference material, Tea Leaves (INCY-TL-1) and NIST SRM 1515 Apple leaves. The comparison between gathered data and literature values has made and possible resources of the contamination to the samples of honey have handled. The obtained results will be presented in ICCIS 2015: XIII International Conference on Chemical Industry and Science.

Keywords: Wet decomposition, Microwave digestion, Trace element, Honey, ICP-OES

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Authors: A. N. Paithane, D. S. Bormane, S. D. Shirbahadurkar

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It has been seen that emotion recognition is an important research topic in the field of Human and computer interface. A novel technique for Feature Extraction (FE) has been presented here, further a new method has been used for human emotion recognition which is based on HHT method. This method is feasible for analyzing the nonlinear and non-stationary signals. Each signal has been decomposed into the IMF using the EMD. These functions are used to extract the features using fission and fusion process. The decomposition technique which we adopt is a new technique for adaptively decomposing signals. In this perspective, we have reported here potential usefulness of EMD based techniques.We evaluated the algorithm on Augsburg University Database; the manually annotated database.

Keywords: intrinsic mode function (IMF), Hilbert-Huang transform (HHT), empirical mode decomposition (EMD), emotion detection, electrocardiogram (ECG)

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Authors: Meriem Abid, Erika Oliveria-Jardim, Andres Fullana, Joaquin Silvestre-Albero

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The rapid industrial development associated with the increase of volatile organic compounds (VOCs) has seriously impacted the environment. Among VOCs, hydrogen sulfide (H₂S) is known as a highly toxic, malodorous, flammable, and corrosive gas, which is emitted from diverse chemical processes, including industrial waste-gas streams, natural gas processing, and biogas purification. The high toxicity, corrosively, and very characteristic odor threshold of H2S call for urgent development of efficient desulfurization processes from the viewpoint of environmental protection and resource regeneration. In order to reduce H₂S emissions, effective technologies for have been performed. The general method of H₂S removal included amine aqueous solution, adsorption process, biological methods, and fixed-bed solid catalytic oxidation processes. Ecologically and economically, low-temperature direct oxidation of H₂S to elemental sulfur using catalytic oxidation is the preferred approach for removing H₂S-containing gas streams. A large number of catalysts made from carbon, metal oxides, clay, and others, have been studied extensively for this application. In this sense, activated carbon (AC) is an attractive catalyst for H₂S removal because it features a high specific surface area, diverse functional groups, low cost, durability, and high efficiency. It is interesting to stand out that AC is modified using metal oxides to promote the efficiency of H₂S removal and to enhance the catalytic performance. Based on these premises, the main goal of the present study is the evaluation of the H₂S adsorption performance in carbon-encapsulated iron nanoparticles obtained from an olive mill, thermally treated at 600, 800 and 1000 ºC temperatures under anaerobic conditions. These results anticipate that carbon-encapsulated iron nanoparticles exhibit a promising performance for the H₂S removal up to 360 mg/g.

Keywords: H₂S removal, catalytic oxidation, carbon encapsulated iron, olive mill wastewater

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Authors: Srinivas Nerella

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A series of new heterodentate N, O-donor ligands derived from condensing 3-amino Coumarins with hydroxy benzaldehydes and acetophenones were used to afford new mononuclear Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Pd(II) coordination compounds. All the complexes were characterized by IR, 1H-NMR, 13C-NMR, Mass, ESR, Electronic spectra, Conductance, Magnetic and Thermal studies. The ligands show hexa coordination in Mn(II), Co(II), Ni(II), and Pd(II) complexes resulting octahedral geometries, while the ligands in Zn(II) and Cu(II) complexes show tetra coordination resulting tetrahedral and square planar geometries respectively. These mononuclear complexes were investigated as catalysts in the hydrothiolation of aromatic and aliphatic alkynes with thiols. These metal complexes were acted as versatile catalysts and gave good yields.

Keywords: schiff bases, divalent metal complexes of schiff bases, Catalytic activity, hydrothiolation

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Authors: Nusrat T. Chowdhury, M. F. Baki, A. Azab

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The production planning problem is concerned with specifying the optimal quantities to produce in order to meet the demand for a prespecified planning horizon with the least possible expenditure. Making the right decisions in production planning will affect directly the performance and productivity of a manufacturing firm, which is important for its ability to compete in the market. Therefore, developing and improving solution procedures for production planning problems is very significant. In this paper, we develop a Dantzig-Wolfe decomposition of a multi-item hierarchical production planning problem with capacity constraint and present a column generation approach to solve the problem. The original Mixed Integer Linear Programming model of the problem is decomposed item by item into a master problem and a number of subproblems. The capacity constraint is considered as the linking constraint between the master problem and the subproblems. The subproblems are solved using the dynamic programming approach. We also propose a multi-step iterative capacity allocation heuristic procedure to handle any kind of infeasibility that arises while solving the problem. We compare the computational performance of the developed solution approach against the state-of-the-art heuristic procedure available in the literature. The results show that the proposed heuristic-based decomposition approach improves the solution quality by 20% as compared to the literature.

Keywords: inventory, multi-level capacitated lot-sizing, emission control, setup carryover

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Authors: Gudakesh Yadav

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Uttar Pradesh is one of the poorest performing states of India in terms of child health. Using data from the three round of NFHS and two rounds of DLHS, this paper attempts to examine tempo-spatial change in child health and care practices in Uttar Pradesh and its regions. Rate-ratio, CI, multivariate, and decomposition analysis has been used for the study. Findings demonstrate that child health care practices have improved over the time in all regions of the state. However; western and southern region registered the lowest progress in child immunization. Nevertheless, there is no decline in prevalence of diarrhea and ARI over the period, and it remains critically high in the western and southern region. These regions also poorly performed in giving ORS, diarrhoea and ARI treatment. Public health services are least preferred for diarrhoea and ARI treatment. Results from decomposition analysis reveal that rural area, mother’s illiteracy and wealth contributed highest to the low utilization of the child health care practices consistently over the period of time. The study calls for targeted intervention for vulnerable children to accelerate child health care service utilization. Poor performing regions should be targeted and routinely monitored on poor child health indicators.

Keywords: Acute Respiratory Infection (ARI), decomposition, diarrhea, inequality, immunization

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Authors: O. Acan, Y. Keskin

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In this study, we will carry out a comparative study between the reduced differential transform method, the adomian decomposition method, the variational iteration method and the homotopy analysis method. These methods are used in many fields of engineering. This is been achieved by handling a kind of 2-Dimensional and forth-order partial differential equations called the Kuramoto–Sivashinsky equations. Three numerical examples have also been carried out to validate and demonstrate efficiency of the four methods. Furthermost, it is shown that the reduced differential transform method has advantage over other methods. This method is very effective and simple and could be applied for nonlinear problems which used in engineering.

Keywords: reduced differential transform method, adomian decomposition method, variational iteration method, homotopy analysis method

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Authors: Forrest Kaatz, Adhemar Bultheel

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

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

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Authors: Abolfazl Bezaatpour, Sahar Khatami

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Fe3O4 nanoparticles were prepared by the co-precipitation method and silica was then coated on the magnetic nanoparticles followed by modification with (3-aminopropyl) trimethoxysilane. Then, dioxomolybdenum(VI) Schiff base complex of N,N′-bis(5-chloromethyl-salicylidine)-1,2-phenylenediamine) was immobilized on the surface of magnetic nanoparticles as a heterogeneous catalyst. The catalyst was identified by scanning electron microscopy (SEM) and vibrating sample magnetometer (VSM), X-ray diffraction, IR spectroscopy, diffuse reflectance spectra and atomic absorption spectroscopy techniques. The catalyst shows excellent catalytic activity in epoxidation of olefins using tert-butylhydroperoxide in 1,2-dichloroethane. In this report, the supported complex exhibited 100% selectivity for epoxidation with 100% conversion for cyclooctene. Nanocatalyst can be easily recovered by a magnetic field and reused for subsequent reactions for at least 5 times with less deterioration in catalytic activity.

Keywords: dioxomolybdenum (VI), epoxidation, nanocatalysis, nanoparticles, Schiff base

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Authors: Yingxu Wang

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This work presents basic research on the recursive structures and dual sequential patterns of primes for the formal proof of the Twin-Prime Conjecture (TPC). A rigorous methodology of Twin-Prime Decomposition (TPD) is developed in MATLAB to inductively verify potential twins in the dual sequences of primes. The key finding of this basic study confirms that the dual sequences of twin primes are not only symmetric but also infinitive in the unique base 6 cycle, except a limited subset of potential pairs is eliminated by the lack of dual primality. Both theory and experiments have formally proven that the infinity of twin primes stated in TPC holds in the P x P space.

Keywords: number theory, primes, twin-prime conjecture, dual primes (P x P), twin prime decomposition, formal proof, algorithm

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Authors: B. Palanikumaran, N. Kanagaraj, M. Sangareswari, V. Sailaja, Kapil Sihag

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The present study aimed to estimate the carbon sequestration potential of major forest types present in the foothills of Nilgiri biosphere reserve. The total biomass carbon stock was estimated in tropical thorn forest, tropical dry deciduous forest and tropical moist deciduous forest as 14.61 t C ha⁻¹ 75.16 t C ha⁻¹ and 187.52 t C ha⁻¹ respectively. The density and basal area were estimated in tropical thorn forest, tropical dry deciduous forest, tropical moist deciduous forest as 173 stems ha⁻¹, 349 stems ha⁻¹, 391 stems ha⁻¹ and 6.21 m² ha⁻¹, 31.09 m² ha⁻¹, 67.34 m² ha⁻¹ respectively. The soil carbon stock of different forest ecosystems was estimated, and the results revealed that tropical moist deciduous forest (71.74 t C ha⁻¹) accounted for more soil carbon stock when compared to tropical dry deciduous forest (31.80 t C ha⁻¹) and tropical thorn forest (3.99 t C ha⁻¹). The tropical moist deciduous forest has the maximum annual leaf litter which was 12.77 t ha⁻¹ year⁻¹ followed by 6.44 t ha⁻¹ year⁻¹ litter fall of tropical dry deciduous forest. The tropical thorn forest accounted for 3.42 t ha⁻¹ yr⁻¹ leaf litter production. The leaf litter carbon stock of tropical thorn forest, tropical dry deciduous forest and tropical moist deciduous forest found to be 1.02 t C ha⁻¹ yr⁻¹ 2.28 t⁻¹ C ha⁻¹ yr⁻¹ and 5.42 t C ha⁻¹ yr⁻¹ respectively. The results explained that decomposition percent at the soil surface in the following order.tropical dry deciduous forest (77.66 percent) > tropical thorn forest (69.49 percent) > tropical moist deciduous forest (63.17 percent). Decomposition percent at soil subsurface was studied, and the highest decomposition percent was observed in tropical dry deciduous forest (80.52 percent) followed by tropical moist deciduous forest (77.65 percent) and tropical thorn forest (72.10 percent). The decomposition percent was higher at soil subsurface. Among the three forest type, tropical moist deciduous forest accounted for the highest bacterial (59.67 x 105cfu’s g⁻¹ soil), actinomycetes (74.87 x 104cfu’s g⁻¹ soil) and fungal (112.60 x10³cfu’s g⁻¹ soil) population. The overall observation of the study helps to conclude that, the tropical moist deciduous forest has the potential of storing higher carbon content as biomass with the value of 264.68 t C ha⁻¹ and microbial populations.

Keywords: basal area, carbon sequestration, carbon stock, Nilgiri biosphere reserve

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Authors: Nasser A. M. Habib

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The impressive physical properties of graphene derivatives, including thermal properties, have made them an attractive addition to advanced construction nanomaterial. In this study, we investigated the impact of incorporating low amounts of graphene oxide (GO) into cement mixture nanocomposites on their heat storage and thermal stability. The composites were analyzed using Fourier transmission infrared, thermo-gravimetric analysis, and field emission scanning electron microscopy. Results showed that GO significantly improved specific heat by 30%, reduced thermal conductivity by 15%, and reduced thermal decomposition to only 3% at a concentration of 1.2 wt%. These findings suggest that the cement mixture can withstand high temperatures and may be suitable for specific applications requiring thermal stability and insulation properties.

Keywords: cement mixture composite, graphene oxide, thermal decomposition, thermal conductivity

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Authors: Yingxu Wang

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The base 6 structure and properties of mirror primes are discovered in this work towards the proof of Goldbach Conjecture. This paper reveals a fundamental pattern on pairs of mirror primes adjacent to any even number nₑ > 2 with symmetrical distances on both sides determined by a methodology of Mirror Prime Decomposition (MPD). MPD leads to a formal proof of the Goldbach conjecture, which states that the conjecture holds because any pivot even number, nₑ > 2, is a sum of at least an adjacent pair of primes divided by 2. This work has not only revealed the analytic pattern of base 6 primes but also proven the infinitive validation of the Goldbach conjecture.

Keywords: number theory, primes, mirror primes, double recursive patterns, Goldbach conjecture, formal proof, mirror-prime decomposition, applications

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Authors: A. Benyahia, M. Zergoug, M. Amir, M. Fodil

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The main objective of this work is to enhance the Pulsed Eddy Current (PEC) response from the aluminum structure using signal processing. Cracks and metal loss in different structures cause changes in PEC response measurements. In this paper, time-frequency analysis is used to represent PEC response, which generates a large quantity of data and reduce the noise due to measurement. Power Spectral Density (PSD) after Wavelet Decomposition (PSD-WD) is proposed for defect detection. The experimental results demonstrate that the cracks in the surface can be extracted satisfactorily by the proposed methods. The validity of the proposed method is discussed.

Keywords: DT, pulsed eddy current, continuous wavelet transform, Mexican hat wavelet mother, defect detection, power spectral density.

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Authors: Jing Zhao, Dayong Liu, Shihao Wang, Xinghua Zhu, Delong Li

Abstract:

Uhumanned Underwater Vehicles generally operate in the deep sea, which has its own unique working conditions. Lithium-ion power batteries should have the necessary stability and endurance for use as an underwater vehicle’s power source. Therefore, it is essential to accurately forecast how long lithium-ion batteries will last in order to maintain the system’s reliability and safety. In order to model and forecast lithium battery Remaining Useful Life (RUL), this research suggests a model based on Complete Ensemble Empirical Mode Decomposition with Adaptive noise-Temporal Convolutional Net (CEEMDAN-TCN). In this study, two datasets, NASA and CALCE, which have a specific gap in capacity data fluctuation, are used to verify the model and examine the experimental results in order to demonstrate the generalizability of the concept. The experiments demonstrate the network structure’s strong universality and ability to achieve good fitting outcomes on the test set for various battery dataset types. The evaluation metrics reveal that the CEEMDAN-TCN prediction performance of TCN is 25% to 35% better than that of a single neural network, proving that feature expansion and modal decomposition can both enhance the model’s generalizability and be extremely useful in industrial settings.

Keywords: lithium-ion battery, remaining useful life, complete EEMD with adaptive noise, temporal convolutional net

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Authors: Adel Mohsen

Abstract:

A direct method based on the good Broyden's updates for evaluating the inverse of a nonsingular square matrix of full rank and solving related system of linear algebraic equations is studied. For a matrix A of order n whose LU-decomposition is A = LU, the multiplication count is O (n3). This includes the evaluation of the LU-decompositions of the inverse, the lower triangular decomposition of A as well as a “reduced matrix inverse”. If an explicit value of the inverse is not needed the order reduces to O (n3/2) to compute to compute inv(U) and the reduced inverse. For a symmetric matrix only O (n3/3) operations are required to compute inv(L) and the reduced inverse. An example is presented to demonstrate the capability of using the reduced matrix inverse in treating ill-conditioned systems. Besides the simplicity of Broyden's update, the method provides a mean to exploit the possible sparsity in the matrix and to derive a suitable preconditioner.

Keywords: Broyden's updates, matrix inverse, inverse factorization, solution of linear algebraic equations, ill-conditioned matrices, preconditioning

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Authors: Wendong Yang, Changhai Wang, Valeria Arrighi

Abstract:

Low ink sintering temperature is desired for flexible electronics, as it would widen the application of the ink on temperature-sensitive substrates where the selection of silver precursor is very critical. In this paper, four types of organic silver precursors, silver carbonate, silver oxalate, silver tartrate and silver itaconate, were synthesized using an ion exchange method, firstly. Various characterization methods were employed to investigate their physical phase, chemical composition, morphologies and thermal decomposition behavior. It was found that silver oxalate had the ideal thermal property and showed the lowest decomposition temperature. An ink was then formulated by complexing the as-prepared silver oxalate with ethylenediamine in organic solvents. Results show that a favorable conductive film with a uniform surface structure consisting of silver nanoparticles and few voids could be produced from the ink at a sintering temperature of 150 °C.

Keywords: conductive ink, electrical property, film, organic silver

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Authors: Ahmad Awajan, Sadam Al Wadi

Abstract:

In this study, a hybrid method based on Empirical Mode Decomposition and Holt-Winter (EMD-HW) is used to forecast Amman stock market data. First, the data are decomposed by EMD method into Intrinsic Mode Functions (IMFs) and residual components. Then, all components are forecasted by HW technique. Finally, forecasting values are aggregated together to get the forecasting value of stock market data. Empirical results showed that the EMD- HW outperform individual forecasting models. The strength of this EMD-HW lies in its ability to forecast non-stationary and non- linear time series without a need to use any transformation method. Moreover, EMD-HW has a relatively high accuracy comparing with eight existing forecasting methods based on the five forecast error measures.

Keywords: Holt-Winter method, empirical mode decomposition, forecasting, time series

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Authors: Indranil Chakraborty, Kalyan Mandal

Abstract:

Herein, we synthesize MnFe₂O₄ nano−hollow spheres (NHSs) of average diameter 100 nm through a facile template free solvothermal process and carry out a time dependent morphological study to investigate their process of core excavation. Further, a surface engineering of as−synthesized MnFe₂O₄ NHSs has been executed with organic disodium tartrate dihydrate ligand and interestingly, the surface modified MnFe₂O₄ NHSs are found to capable of emerging multicolor fluorescence starting from blue, green to red. The magnetic measurements through vibrating sample magnetometer demonstrate that room temperature superparamagnetic nature of MnFe₂O₄ NHSs remains unaltered after surface modification. Moreover, functionalized MnFe₂O₄ NHSs are found to exhibit excellent reusable photocatalytic efficiency in the degradation of cationic dye, methylene blue with rate constant of 2.64×10−2 min.

Keywords: nano hollow sphere, tartrate modification, multiple fluorescence, catalytic property

Procedia PDF Downloads 156