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By Jamil M. Khalifeh, Shadia J. Ikhmayies, Bothina A. Hamad

"The structural and electronic properties of cubic d -NbN are investigated using density functional theory (DFT) and all-electron full potential linearized augmented plane wave method (FPLAPW). The equilibrium structural parameters are determined by fitting the total energy as a function of volume to the Murnaghan's equation of state. We calculated the total and partial densities of states (DOS) and compared them with those computed by different authors. Our DOS at Fermi level is found to be very close to the experimental value. The band structure is computed, discussed and used to find the characteristic energy separations. Valence electron density contours are recorded and discussed. We deduced the partial charge densities of different bands and binding energies of valence core levels and compared them with experimental and theoretical results obtained by different authors.IntroductionNiobium nitride has been intensively investigated over the last decades because of its interesting physical properties and technological applications (superconducting microdevices, microelectronic, catalytic probes, and hard coatings) [l]. While the group IV transition metal nitrides (TMN) mainly crystallize in the cubic NaCl structure (Bl type), those of group V and VI nitrides occur as different phases. Thus for niobium nitride, many phases have been reported in the literature: cubic fcc d -NbN, tetragonal ? -Nb4N3, hexagonal d -NbN, hexagonal e -NbN, and low nitrogen content hexagonal ß -Nb2N [l, 2].Structural and electronic properties of niobium nitride were investigated theoretically and experimentally by many authors. For example, in 1975 Schwarz [3] obtained the partial density of states for NbC and NbN from APW band structure calculations. In 1975 Kallne and Pessa [4] studied the electronic structure of Nb, NbC and NbN by using X-ray emission. In 2003 Amriou et al. [5] studied the electronic structure and bonding mechanism of NbC and NbN compounds using first principle total energy calculations using the full-potential linearized augmented plane wave method. Also in 2006 Sanjines et. al [l] studied the electronic structure of the hexagonal~Nb2N, hexagonal' d -NbN, and cubic d -NbN thin fihns by using X-ray photoemission spectroscopy. They [l] also calculated the densities of states for these phases and used them in the interpretation of the experimental valance band spectra. Most of these studies are old and there is a need for more recent studies. According to our knowledge, there are little comprehensive theoretical studies on this subject by using FP-LAPW method [5], which proved its ability to give accurate results. In this work we used the FP-LAPW method to study the structural and electronic properties of the cubic (fee) o-NbN (space group Fm-3m, prototype NaCl) crystal."

Jan 1, 2013

By Suleyman Tekeli, Serdar Salman, Bulent Aktas

"The effect of La2O3 content up to 15 wt% on phase stability, sintering and microstructure of cubic zirconia (8YSZ) was investigated. XRD results showed that the specimens containing up to 15 wt% La2O3 were composed of only cubic structure. Also, the specimens doped up to 5 wt% La2O3 revealed no La2O3 peaks, indicating that La2O3 was completely solubilized in the cubic structure. However, when> 5 wt% La2O3 was added, the peak of La2Zr2O7 compound emerged, showing that the overdoped La2O3 was not solubilized in the 8YSZ matrix. The lattice parameter of the 8YSZ slightly decreased with the increasing La2O3 content up to 1 wt% but further increase in the La203 amount resulted in an increased lattice parameter. The comparison of grain size of the 8YSZ specimens with various La2O3 content showed that grain size slightly increased with the increasing La2O3 content up to 1 wt% but further increase in the La2O3 amount resulted in a decreased grain size.IntroductionAt atmospheric pressures, three polymorphic forms of Zr02 are stable at different temperatures i.e. monoclinic, tetragonal and cubic. A high-pressure orthorhombic form of Zr02 has also been reported[l]. The successful production of pure Zr02 bodies is not possible all the time due to the large volume expansion associated with the martensitic tetragonal-monoclinic transformation. This fact restricts the applications of zirconia, in spite of its excellent mechanical and thermal properties. However, the stabilization of the high temperature polymorphs at room temperature as stable phases is made possible by addition of suitable dopants. Fully stabilized cubic Zr02 and partially stabilized tetragonal Zr02 show interesting properties and are widely used as ionic conductors, coatings and gas sensors in solid oxide fuel cells and structural applications[2]. Most frequently used dopants include Y203, CaO, MgO and Ce02, although other oxides, such as those of rare earth elements, can also act as stabilizers of the high temperature structures. The incorporation of aliovalent cations to the lattice, forming substitutional solid solutions, allows to control the concentration of anionic vacancies in the structure. This aspect is particularly important in designing ionic conductors[3], and is also determinant in the stabilization process[ 4]. The process of stabilization with larger ionic radii dopants is rationalized by the crystal chemistry model[ 5], that describes the dopant cations as typical stabilizer when they have larger ionic size, lower charged state and higher ionicity than Zr4+ The ionic radius of Zr4+ is 0.84 Å and that for La3+ is 1.016 Å [6]."

Jan 1, 2012

By Sridhar Komarneni

"Microwave-hydrothermal processing is a novel technique which combines the conventional hydrothermal processing with microwave field and we previously showed for the first time, that ceramic powders can be rapidly produced by this technique. This review paper deals with the synthesis of unary oxides such as Fe203, Ti02, Zr02, etc., binary oxides such as BaTiO3, SrTiO 3, PbTiO 3, SrZrO 3, KNbO3, etc., and ternary oxides such as NaTi2 (PO4)3 and pyrochlore phases of Pb(Mg1/3Nb2/3)O3, Pb(Zn1/3Nb2/3)O3 etc. and metal powders such as Cu, Ni, etc. below 195°C. This method can be adopted to the synthesis of a large variety of powders by the appropriate control of pH, Eh, temperature/pressure and concentration of chemical species. The main advantages of this method compared to conventional hydrothermal processing are (a) it increases the kinetics of reaction by one to two orders of magnitude, and (b) it can lead to novel phases especially those with layered structures.IntroductionConventional hydrothermal processing is a well-established synthesis technique which has been extensively used in the preparation of fine ceramic powders [1-5], large single crystals [6-8] and massive cement blocks [9]. Technologically important ceramic powders such as BaTiO 3, Al203 etc. made by the hydrothermal process are now commercially available. Although there are numerous methods for materials synthesis, hydrothermal method is truly a low temperature and environmentally benign process. For example, ZrSi04 (Zircon) which is extensively used in ceramic industry can be prepared hydrothermally at 150·C [10] compared to sol-gel or solid-state method [11,12] which require a temperature of about 1000·C. The hydrothermal method is environmentally benign because hydrothermal reactions are carried out in closed systems at low temperatures and the contents can be recovered and recycled after cooling to the ambient conditions. One of the disadvantages with any low temperature processing method is slow kinetics. For this reason we have combined the hydrothermal method with microwaves to enhance kinetics and we named this method as ""Microwave-hydrothermal"" processing [13- 16]. Although the combination of microwave and hydrothermal techniques has been used in the past few years to dissolve all kinds of inorganic (e.g. alumino silicate rocks) and organic materials rapidly for chemical analysis, we were the first to show its potential value for the synthesis of various ceramic powders [13-16]. In this paper, I show that this novel method is applicable to the synthesis of all unary, binary and multinary oxides by the appropriate control of pH, Eh, temperature, pressure and concentration of chemical species. In addition, this method is also found to be useful for the preparation of metal powders."

Jan 1, 1994

By Marco Pasetto

The possibility to re-use marginal materials (by-products) deriving from industrial activities in the construction of road infrastructures, as total or partial substitution of natural aggregates, successfully combines demands for economy and environmental sustainability. The paper presents the results of a laboratory study, conducted at the Experimental Road Laboratory of the University of Padova, to verify the suitability of a particular type of electric arc furnace slag to be recycled in the lithic skeleton of high-performance asphalt mixes (porous asphalt, high modulus mixes, stone mastic asphalt, nonskid surfacings) for road and airport flexible pavements. the process of transformation of iron and steel slag into a product that can be used in road building is described, along with the characterisation of the mixtures, plus an analysis of the results of a wide battery of mechanical-performance tests. This study forms part of wider theoretical ? experimental research being done at the University of Padova in order to improve knowledge of the characteristics of succedaneum materials and check their possible applications in road and airport construction.

Jan 1, 2006

By Pinakin C. Chaubal

Today?s steel industry is in a vibrant and resurgent mode. This transformation has been in the making for some time now. Over the last few decades, the industry was steadily transforming itself into becoming a high tech industry. New technology was adopted, efficiencies were enhanced, lean manufacturing concepts were brought in and a strong customer focus was developed. Today?s mills employ sophisticated instrumentation, computerized monitoring, on-line smart systems etc. driving processes that are producing at rates of many tons/minute. All this is not possible without judiciously using the latest available technologies in various fields and developing a more sophisticated work force. Prof. Sohn has been a pioneer in driving the concept of process engineering in process metallurgy. In this paper the focus is on some aspects of process engineering ? primarily process modeling - as applied to iron and steelmaking processes. Examples are shown to demonstrate how problems have been addressed. Some thoughts on future directions are presented.

Jan 1, 2006

By Cameron Hams

Noranda's Process Reactor and Codelco's Teniente Converter are physically similar vessels, which leads to the commonly held misconception that the two processes are the .same. However, notable differences in chemistry, operating philosophy, and construction make them quite dissimilar. This paper compares and contrasts the Noranda Reactor and the Teniente Converter, and attempts to explain some of the apparent differences in behaviour and performance. The results of a worldwide survey of most operating Noranda Reactors and Teniente Converters, along with those processes that have ceased operation or are planning to be started-up in the future, are presented.

Jan 1, 1999

By K. A. Dudley

Basic solvent extraction theory indicates that pH initiates the basis of an oxime's metal complex formation and therefore its selectivity toward certain metal species. The recommended optimum pH for some of the commercial copper reagents is in a range that should maximise copper loading of the oxime. However, this pH range also tends to maximise iron(III) loading under certain operational conditions resulting in low selectivity values. Recent operational parameters at Girilambone Copper Company have highlighted some of these conditions that have a major influence on the oxime's selectivity for copper over iron(III) in the leach solutions. The result is that the pH for maximum copper extraction is no longer within the optimum range to maximise oxime selectivity. Therefore, specific copper and iron(III) pH isotherms have been determined on-site for the changing leach solutions that are fed to the solvent extraction plant in order to optimise oxime selectivity. The influences of solvent extraction plant configurations are also discussed as a controlling parameter.

Jan 1, 1999

By S. G. Galbraith

We have used the principles of supramolecular chemistry to develop reagents to transport metal salts. These reagents have separated charged "compartments" which recognize a metal cation and its attendant anion(s). They are easy to manufacture as they are structurally related to the commercial hydroxy-oxime extractants for copper. Efficient protocols for loading and stripping of these extractants depend on the novel feature that they bind the metal salt in a zwitterionic form of the ligand. Transfer of the phenolic protons to the pendant amines generates the charged "compartments" to accommodate the metal cation and its attendant anion(s). This paper focuses on how these types of reagent can be used to recover base metals from sulfate and chloride media in flowsheets in which solvent extraction effects separation and concentration operations, interfacing between conventional leach and electrowin/reduction processes. Work on the development of reagents that have high selectivity for metal chloride/sulfate transport, convenient stripping protocols and appropriate hydrolytic stability will be described.

Jan 1, 2003

By Meyer Steinberg

"Some early experiences of a Cooper Union Chemical Engineer on the Manhattan project and his latest studies on CO2 Greenhouse Gas Mitigation Technologies are presented. Mitigating Global Greenhouse effect while maintaining a fossil fuel economy, requires improving the efficiency of conversion and utilization of fossil fuels, use of high hydrogen content fossil fuels, decarbonization of fossil fuels and sequestration of carbon and CO2 applied to all energy consuming sectors of the economy including electric power generation, materials production, transportation and industrial domestic heating. Decarbonization means removal of carbon as C or CO2 either before or after fossil fuel utilization and sequestration means long term disposal of C or CO2. The review will cover the principles of removal and recovery from power plant, stacks, the oceanographic and geological disposal of CO2 and the conversion of CO2 to gaseous and liquid transportation fuels. The global economic aspects of CO2 mitigation technologies are touched upon.IntroductionThis is an odyssey of a chemical engineer. My career started with the production of U235 at the Gaseous Diffusion Plant in Oak Ridge, Tennessee and the production of PU-239 metal at Los Alamos on the Manhattan Project. After 40 years at Brookhaven National Laboratory, I wound up performing studies on CO2 mitigation technologies. The following is a power point presentation on the subject of global warmingThe DOE is proposing to increase its sequestration development program in order to maintain the utilization of our vast resources in coal both for power and for transportation fuel production. Congress is considering steps to promote energy efficiency in attempts to solve not only the CO2 problem, but also the prime problem of energy supply. We will be promoting increases in energy efficiency as time goes on."

Jan 1, 2008

By Keizo Uematsu, Satoshi Tanaka, Nozomu Uchida, Ronne Hendrajaya

"The influence of microstructural defects on strength in Si3N4 is reviewed. The presence of cracks, pores and inclusions greatly affects the strength of Si3N4. The micron order crack size and distribution were quantified by micrographic technique. The observed defect size was range from 4 µm to 28 µm.The density of defect increases as the defect size decreases. The correlation between defects size and density was better represented on the logarithmic graph. The correlation was linier. IntroductionFracture in ceramics materials occurs from. In order to understand the relationship between strength and defects, it is necessary to examine the fracture process quantitatively.1In this study, the micrographic technique is used to determine the defects size and distribution in Si3N4. The observed data will be used to predict the material strength by using fracture mechanics rnodel.2Experimental ProcedureThe sintered Si3N4 specimens ( SNl, Japan Fine Ceramics Center) were sliced into 1mm thick . The both sides of specimen surface were polished into by using diamond slurries with particle size down to 2µm. The final thickness was 0.045 mm. The optical microscope (NIKON OPTIPHOT02-POL) was used to observed the internal defects with transmission mode. The reflection mode was used to determine the surface defects, so that the internal defect could be distinguished from surface defect. The measurement and counting was taken on the micrograph and the longest part of the defect was measured as the defect size. The size density distribution of internal defect is taken."

Jan 1, 2000

By Giuseppe Granata

An innovative process using titanium tetrachloride (TiCl4) gas as reactant has shown successfully to obtain titanium through electro-winning of TiCl2 formed in-situ on titanium cathode. The process involves a continuous feed of TiCl4 gas reacting onto a titanium cathode immersed in a molten salt (NaCl-KCl), whereby in-situ formation of titanium dichloride (TiCl2) through a disproportion reaction. Simultaneously, the TiCl2, thus in-situ formed in the molten salt media, has been reacted into chlorine gas and titanium, the latest electrodeposited on the titanium cathode by electrowinning. The reaction kinetic of this innovative process was investigated in terms of TiCl2 in-situ formation rate and galvanostatic electrodeposition rate, where, in particular, the effect of operating variables such as TiCl4 partial pressure and flow rate, as well as temperature and galvanic potential applied was investigated.

Jan 1, 2014

By Hua-qing Li

Electromagnetic stirring process effectively improves the casting quality of metals. In this paper, the physical simulation experiment, in which the molten copper is displaced by mercury, was designed. The factory test parameters were determined according the simulated data. The flow behavior of the mercury to be stirred as well as the relations between the microstructure of plate blanks and the current parameters were analyzed. With an appropriate electromagnetic stirring, the inverse segregation of tin for C51900 alloy plant blank reduces from 15 % ~ 30 % to about 5 %, and the proportion of equiaxed grain rises to larger than 30%.

Jan 1, 2009

By P. Sergi

A method of characterizing gold ores with respect to processing is proposed. The method includes microscopical examinations to obtain qualitative and quantitative data that relate to processing. The main thrust, however, involves laboratory heavy liquid separation tests, laboratory amalgamation tests, and laboratory cyanidation tests to determine the proportions of gold that can be recovered in a conventional processing operation. Two different Brazilian gold ores: a quartz vein gold ore, and gold in metasediments were tested.

Jan 1, 1989

By V. I. Lakshmanan

"Historically flowsheets are developed for efficient separation of metals for economic recovery. With increasing emphasis on reduction, reuse and recycle (3Rs) efficient methods are sought to recover values from a variety of feeds where cost of collection, transportation, local consumer behaviour and regulatory guidelines dictate the development of economically viable flowsheets. Innovative understanding of potential market applications can provide means to develop value added end products. The paper with examples will discuss the use of innovative-separation technologies to obtain value added end use materials from secondary sources.IntroductionFlowsheets are developed for the efficient separation of materials of value for economic recovery. However with increasing societal pressures and regulatory initiatives for stricter environmental guidelines, there is strong need to provide focus to recover materials efficiently and economically in an environmentally accepted manner. North American industries are increasingly caught between demands for high technology value added products and responsibility for environment. An aspect that is receiving increasing attention is Design for Environment'. This incorporates a system wide approach for product design and incorporates environmentally preferable features such as recyclability, disassembly, maintainability, reusability and use of safe materials as part of a product's design objectives.The present paper with case histories will address innovative flowsheet development to convert wastes into recyclables value added products or for minimising generation of waste materials. Case HistoriesProcess for Separating Fibres from Composite Materials 1In the automotive industry, sheet molded compound (SMC) is used to produce panels, bumpers and the like. During the manufacture and at the end of life, considerable waste materials are generated which are potentially recyclable. Fibre reinforced plastics where fibre substrate impregnated with thermosetting resin, find applications in several manufacturing processes and are potentially recyclable at the end of life."

Jan 1, 1996

By Jan Yaozhong

The composition and the possible utilization of Ti bearing blast furnace from a titanomagnetite blast furnace smelter were studied. The slag contained about 20% Ti02 and trace Sc. The mineralogical analysis indicated that Ti in the slag is mainly as perovskite. By means of magnetite separation, the Ti containing phase could not be enriched. An effective hydrometallurgical approach was proposed with sulphuric acid leaching. The method proposed for processing the studied slag renders product Ti02 and SC203. Besides the recovery ofTiO2 and SC2O3' the leaching process yields fine grained residues which can used as additives for making cement.

Jan 1, 1996

By QinGuo, Shenghui Guo, Jinhui Peng, Linqing Dai, Libo Zhang

This paper adopts a simple and novel preparation. Taking cellulose as a template, a tubular morphology structure of micro/nano ZnO crystals was obtained by microwave roasting at high temperature. The higher the microwave roasting temperature, the larger the degree of crystallization. The experiments indicate that the best photo catalytic effect can be obtained at 850 : At this temperature, the oxidation of cellulose is complete. Large quantities of hexagonal shaped ZnO crystal can be observed, specifically the (0001) crystal face. Under ultraviolet-visible irradiation, taking long arc mercury lamp as light source, the material had good photocatalytic activity. The decomposing efficiency of methylene blue reaches 97% in 60min, which is superior to that of preparations without templates at the same temperature.

Jan 1, 2016

By A. V. Tarasov, A. D. Besser

A processing flowsheet has been developed for treating substandard lead-containing polymetallic bulk concentrates and intermediate flotation products containing precious metals, which comprises oxidizing roasting in a calcination kiln and electrothermic smelting generating low volumes of off-gas. The proposed flowsheet also incorporates a dust collection system and sulfur dioxide recovery from off-gas. It is proposed to implement this process by using a reaction smelting technique. For this purpose, the charge to be fed to the smelting furnace after its calcination in a drum-type rotary kiln must have a ratio of sulfide sulfur to sulfate sulfur of at least 1 :2. Electric smelting makes it possible to produce lead bullion that also collects the precious metals contained in the feed, as well as copper-lead matte and slag containing zinc. The recovery of lead into lead bullion and into matte is approximately 83% and 14%, respectively (thus the overall recovery is 97%); the total recovery of gold and silver into lead bullion and matte is 98%; th\lt of copper into matte is 89%; the recovery of zinc into slag is 96%; and that of sulfur into sulfuric acid or gypsum is 90%. After the recovery of zinc from slag, the latter can be utilized in the construction industry.

Jan 1, 2000

By Norbert Steiner

For the desulfurization of weak SO2 gas streams, Degussa developed a process using dilute H2SO4 solution containing H2O, instead of conventional gas scrubbing with all solid absorbent medium (limestone, MgO). The process is based on fast reaction of H2O, with SO2 yielding H2SO4 up to 70% strength, depending on off-gas temperature. Compared to the conventional systems with typically < 95% efficiency, independent on the raw gas SO2 concentration, residual SO2 concentrations of less than 20 mg/Nm3 can be easily achieved, corresponding to nearly 100% removal. These features render the H2O, process a very attractive, low capital cost technology to retrofit existing conventional desulfurization plants.

Jan 1, 1996

By Pengcheng Li, Wei-Tong Du, Yu Wang, Gang Wen

Carbon dioxide could be utilized as a weak oxidant and a kind of coolant to oxidize elements, meanwhile, helping control the temperature during the converter vanadium extraction process. However, the optimum content of CO2 and the cooling effect of CO2 at low content have not been reported. In this study, experimental research based on the influence of different CO2 contents from 0% to 25% injected to the vanadium-containing hot metal was carried out, as well as contrast experiments of O2-N2 mixed blowing. The results indicated that the optimum content of CO2 was 15%. Under the optimum condition, the oxidation of [C] was the lowest and the oxidation rate of [V] was 96.9%, while the temperature was also lower than the O2-N2 mixed blowing. This paper provide a potential property for utilizing CO2 during the converter vanadium extraction process.

Jan 1, 2016

By Zhenbo Zhao

The processes and equipment for INLRFH (Isothermal Normalizing by Utilizing the Residual Forged Heat) of alloy carburizing steel products are presented. It is shown that four key parameters: namely (I) cooling rate before isothermal normalizing, (IT) the lowest cooling temperature before isothermal normalizing, (111) isothermal normalizing temperature and (IV) isothermal normalizing time, should be controlled. The prediction and calculation of these parameters can be achieved on the basis of components treated and the technical requirements of the steel parts by an on-line expert system. The cost-reductions due to the energy savings resulting from implementing this system for automotive parts heat-treatment are most promising.

Jan 1, 1999