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By Guozhu Ye, Mikael Lindvall

"Swedish iron ore contains about 0.1 %V. The vanadium is reduced to the hot metal in a blast furnace and oxidised to the slag in a converter. The high V-content, up to 5 % V, leads to a very limited external application of the steel slag in Sweden. Since 2004, MISTRA - the Swedish Foundation for Strategic Environmental Research has together with the steel and mining industry in Sweden and Finland initiated and supported a long term project aiming at efficient recovery of vanadium in the slag, and at the same time a useful slag product with low V-content. The proposed concept consists of a reduction step and a phosphorus removal step. This paper will highlight some of the results with focus on the various metallurgical reactors used for slag reduction, including results from recently performed pilot trials using a DC furnace for cotreatment of metallurgical slags and other wastes.IntroductionToday, less than half of the produced LD-slag in Sweden is recycled to the blast furnace as a lime source and the rest is temporarily stored inside the steel plant. The steel slags cannot be used externally due to its content of vanadium and free lime. As the slag storage area is limited, this has become a problem for Swedish steel producers. The disposition of the slag is also a great waste of a valuable vanadium resource. The current potential value of vanadium in the discharged steel slag annually amounts to roughly US$ 100 million. Currently, Swerea MEFOS is conducting an 8-year vanadium recovery project called VILD (Vanadium in LD-slag) aiming at efficient recovery of vanadium and at the same time producing a useful slag product with low V-content. The project is financed by MISTRA - the Swedish Foundation for Strategic Environmental Research and the steel and mining industry in Sweden and Finland. Various reactors and process options have been tested in the past 7 years, from 3 kg laboratory scale, 150 kg induction furnace, 3 MVA pilot DC furnace, 5 MVA pilot AC furnace, 5 tons Kaldo furnace, to full scale direct hot slag reduction in the industrial site (12 tons of slag). This paper will introduce the VILD-concept and review the experiences gained from these trials. The advantages and disadvantages of the different options will be discussed and concluded."

Jan 1, 2012

By K. Olsen

As aluminum alloy usage in automobiles grows, there are increasing demands on recycling processes and facilities to deal with mixed alloy automotive aluminum scrap. These processes and facilities strive to produce near virgin aluminum stock, which can be relatively costly and difficult. One alternative is to use physical processing methods to upgrade the scrap properties instead of chemically refining the scrap. The Impulse Atomization Process (LAP, patent pending) is a new process for making metallic and ceramic powders. It can produce fine homogeneous microstructures in scrap aluminum alloys due to high undercooling and rapid solidification. The particles have a very narrow size distribution and are in a convenient form for consolidation. This paper compares and contrasts the microstructural features of Impulse Atomized. and quenched Impulse Atomized powders,' for both AL6061 and a scrap aluminum alloy composition.

Jan 1, 1995

By Joseph Sofra

It has become increasingly evident that sustainable metals production in the 21st century requires producers to balance the needs of cost effective, high value production with that of responsible plant operation. This is becoming more difficult as lower grade and more complex feed materials, including recycled scrap and residues, are being processed to reduce production costs and decrease exposure to primary metal market fluctuations. One particular facet of the metals industry facing these challenges in the 21st century are copper producers, The recent steady decline in the copper price has seen the industry cut expenditure, tighten control on income streams and focus on high returns on capital investment. For these reasons copper producers are looking towards flexible technologies that can deliver high value products, with minimal environmental impact at low capital and low sustainable operating costs. Ausmelt's Top Submerged Lancing (TSL) technology for copper production is a low cost, proven technology for the processing of both primary and secondary copper materials. Both the smelting and converting operations introduce significant advantages in environmental performance, improved process efficiencies and high rates of metal recovery, Ausmelt has made significant gains in the past 4 years in establishing a strong market position for its copper technology, New installations in China, South Africa and India as well as existing operations in Zimbabwe and China have demonstrated its effectiveness. This paper reviews the application of Ausmelt Technology for both smelting and converting of primary and secondary sources, It discusses Ausmelt's design and implementation philosophy, and how this philosophy meshes with the needs of the end user.

Jan 1, 2003

By Q. G. Liu

New solid-state electrochemical sensors 1;.1sing Li2SO4-Ag2SO4 electrolytes have been developed to measure SO2 and/or SO3 in gas mixtures. Silver embedded in part of the electrolyte is used as the reference electrode. Although single-phase electrolyte sensors yield accurate results for one to two days, a two-phase electrolyte cell exhibits excellent long-term chemical stability. For example, stable and accurate potent iometric responses have been obtained over a six mo.nth period. The. advantages of the two-phase electrolyte ( 23 mol% Ay 2SO4 ) cell include excellent mechanical strength on temperature cycling and an insensitivity to compositional variations in the electrolyte and to temperature fluctuations. Experimental tests have shown excell.ent results in SO2-air. mixtures with the SO2 concentration ranging from 3 to 10,000 ppm (vol). However, the SO2 concentration range was limited by a lack of standard gas mixtures, and our sensor cells can be used to measure S02 concentrations significantly less than or larger than our experimental range. Results also indicate that the presence of significant concentrations of CO2 and H2O in the gas mixture has no effect on the sensor response. Thus the two-phase electrolyte ( 23 mol% Ag2S04) sensor has exceptional selectivity, reliability and long-term chemical and mechanical stability.

Jan 1, 1985

By Shulan Wang, Xuan Liu, Li Li

"Electrochemistry of Fe(III) in 69CaCl2-12CaF2-19KF and 81CaCl2-19KF (mole percentage, %) was investigated at 827 oC on molybdenum electrode by cyclic voltammetry, chronoamperometry and galvanostatic electrolysis using Fe2O3 as the Fe(III) source. The reduction of Fe(III) to Fe was conducted in one step and controlled by diffusion process. Fe(III) shown greater reduction rate and diffusion coefficient in molten 81CaCl2-19KF than in 69CaCl2- 12CaF2-19KF. Galvanostic electrolysis of Fe was performed in both molten salts with a cylindrical cathode rotating at 200 r/min and dendritic iron deposit was obtained.Keywords: iron; electrolysis; electrochemistry; molten saltIntroductionThe production of iron and steel causes huge emissions of CO2. Iron electrowinning in molten salts with dissolved Fe2O3 using an inert oxygen evolving anode is an alternative process to reduce or eliminate the formation of CO2. Research on novel process of producing metal has been reported recently [1-2] by using CaCl2 as the main electrolyte and dissolving CaO in CaCl2 due to the high solubility of CaO in the melt. This process has been used in preparing many active metals and alloys [3-14]. In the present work, the electrochemical behavior of iron in CaCl2-KF was studied and transport property of iron ion in the melt was discussed.ExperimentalCaCl2,CaF2 and KF (in analytical purity) were dried in air for 48 h. Mixed salts used in experiments were placed in a graphite crucible (??58 mm inner diameter). The graphite crucible together with the salts was heated at 473 K for 12 h in a furnace with flowing Ar (99.99%) before further heating. Temperature inside the furnace was measured by an S type thermocouple. Electrochemical measurements, such as cyclic voltammetry and chronocoulometry, were performed in a three electrode cell by EG&G PAR273A potentiostat/galvanostatand. Galvanostatic electrodepositon of iron was conducted in a two electrode cell. Molybdenum (??2 mm) and iron (??5 mm) were used as the working electrode (WE) and the reference electrode, respectively. A graphite crucible and a magnetite rod (??25 mm ) consisted of 100% magnetite and sintered at 950 oC in argon atmosphere for 2 h with electrical conductivity of 366 O-1m-1 at room temperature were used as the counter electrodes in the galvanostatic electrolysis experiment. Carbon (??10 mm) was used as the counter electrode in electrochemical measurement. The deposits were washed in distilled water bubbled with argon and dried in air before being characterized by X-ray diffraction (PW3040/60 diffractometer) and scanning electron microscope (SEM, SSX-550)."

Jan 1, 2014

By Djalma Souza, Rubén Sánchez, Regina Maria Pinheiro, Carlos Maurício Fontes Vieira, Sergio Neves Monteiro

"This work has for objectives to characterize a waste generated in the form of sludge during the treatment of the effluent of a paper making industry and to evaluate the effect of its incorporation up to 10 wt.% on the properties of a clayey body used for brick production. For the characterization of the waste the following techniques were used: X-ray diffraction, X-ray fluorescence, differential thermal analysis and termogravimetric analysis with mass spectrometry. Specimens were prepared by uniaxial pressing at 20 MPa before firing at 750 °C. The physical and mechanical properties evaluated were: linear shrinkage, water absorption and flexural rupture strength. The results showed that, in agreement with the characteristics of the waste, its recycling into red ceramic can contribute to decrease the consumption of fuel during the firing stage. However, the waste changes the physical and mechanical properties, generating a deleterious effect on the water absorption and flexural rupture strength of the ceramic.IntroductionAccording to the Brazilian Association of Pulp and Paper, in the last 10 years, the global production of paper grew 35%. Brazil produced 8,2 million tons of paper in 2004 and held the position of the seventh largest world manufacturer of pulp, with about 9,4 million tons per year [1]. The pulp and paper industry generates effluents that present problems related to their disposal, even after the treatment. Among the solid wastes generated by this industry, the main waste is the primary sludge from the effluent treatment plant (ETP).After the initial treatment the decanted solids go through a dewatering stage, generating the solid form denominated primary sludge. This sludge resembles a paper paste of dark gray color when humid, and clear gray color when dry. This primary waste is composed basically of kaolin, pulp, traces of chemical substances and water. This waste generated in the pulp and paper industry depends on the characteristics of the process and of the employed techniques. It can vary significantly from one industrial unit to another, even in the case that the final products are similar. Its composition is approximately 60% of kaolin and 40% of pulp, and these percentages can vary in some moments as a function of the process [2,3]."

Jan 1, 2008

By K. Hussin

Perlis is one of the major producers of ?Batu Reput? in Malaysia and majority of the deposits contain of high-purity calcium and magnesium carbonate. The composition of Batu Reput is similar with the ordinary dolomite. Currently, the ?Batu Reput? is used as filler in the road construction, however with this new invention, it can be value added and maximized its application in the daily life, for example as construction materials, decorative products, souvenir and etc. This paper presents the fabrication of Artificial Marble from ?Batu Reput? and in this case, it was used as filler in the matrix of epoxy which is acted as a binder.

Jan 1, 2006

By Cristiän Vargas, Jaime Simpson, Gerardo Cifuentes

"This paper presents a new process for the precipitation of Sb and Bi present in copper refinery electrolytes in the presence of Pb02 (Chilean Patent No. 45,037). To establish the conditions under which the precipitating compounds form, it was necessary to evaluate the amount of PbCh consumed, antimony extraction efficiency, precipitate stability, reaction kinetics, diffraction analysis and X-ray fluorescence, separation of size, plus observation of the precipitates in the electron microscope. Preliminary tests were carried with synthetic copper refinery electrolyte, and then the final testing was done with electrolytes from Chilean refineries. This process provides a real alternative for the treatment of copper refinery electrolytes for the control of Sb and Bi in solution; it is very simple to operate and is low cost compared with competing processes.Introduction.A high quality copper cathode implies a cathode free of impurities. The electrorefining process seeks to eliminate these impurities from the copper anode (99.5% purity) by its dissolution in an acid electrolyte using chemical and electrochemical reactions. As a result of this process, a cathode (99.99% purity) is obtained. If the concentration of impurities in the electrolyte, from the dissolved anodes, begins to increase; particularly if the antimony concentration in the electrolyte increases up 500 ppm, the formation of floating slimes which are a major cause of contamination of the cathode is favoured. The most important impurities from the point of view of their effect on the quality of the cathode copper, are Ag, As, Sb, Bi, Pb, Se and Te. Silver is necessary for the control of Se and Te. To control all of these impurities, it is necessary to establish different methods or parameters of control in copper electrorefining. These parameters are anode composition, additives, purification of the electrolyte, current density, acidity, etc."

Jan 1, 2012

By V. Gornitz

The Orphan mine uranium deposit, Grand Canyon, Arizona, is a cylindrical collapse-breccia pipe, 70 to 150 m in diameter and 500 m deep. Pipe fill was derived from the Supai Group, Hermit Shale, and the Coconino Sandstone. Uraninite, with Cu, Fe, Pb, Zn and Ni-Co sulfides is concentrated along the pipe boundary ring fracture (annular ring) and within the central porous sandstone matrix. There is some suggestion of vertical and lateral zonation of U with respect to Cu. Reduction of ferric oxide cement from red beds and recrystallization of carbonate, with formation of kaolinite preceded major ore deposition. Early Ni sulfides, arsenides and disseminated pyrite were followed by massive pyrite, and botryoidal uraninite, which in turn was suc-ceeded by Cu, Zn and Pb sulfides. A second, later generation of uraninite was closely intergrown with hematite and base metal sulfides. Oxidation of primary minerals may have been associated with Tertiary regional uplift. The paragenetic sequence closely resembles that of other Grand Canyon breccia pipes, except for the extensive development of the distinctive uraninite-hematite association. Mineral assemblages at the Orphan suggest possible mixing of the metal-bearing solution(s) with a more oxidized fluid, containing soluble uranyl complexes. Homogenization temperatures of fluid inclusions in calcite (GO-lIO?C) at the Orphan fall within the lower end of the range observed at other breccia pipes.

Jan 1, 1987

By Abhishek Lahiri, Animesh Jha

"A new technique for the selective separation of rare earths and impurities from lower grade titaniferous ores has been developed which will reduce the overall reduction in the energy costs, and therefore the CO2 generation by at least an order of magnitude during the chlorination and waste handling stages of TiO2 to TiCl4 reaction. The process includes roasting the ilmenite ore with alkali followed by water washing step, which removes nearly 80% of oxides of lanthanide and actinide elements present in lower grades of titaniferous minerals. In the context of preferential separation of rare- 3+ + earth and actinide oxides, we have examined the roles of Al and K ions on the lattice structures of ilmenite and complex titanate as the product layer forms during the roasting in air in the presence of potash. The composition of the mixtures of oxides derived from the separation process shows that the mixture of rare-earth oxides m ay be a high-value co-product of the overall beneficiation process.IntroductionWorldwide the production of synthetic rutile is carried out either by the sulphate or the slag-making followed by fluidised bed chlorination of TiO2 enriched slag granules. The chlorinated gas is then re-oxidized to make white pigment grade TiO2. The waste generated by the sulphate process is predominantly iron sulphate, which has limited use in the water treatment plant. The remaining wastes from the sulphate process undergo further treatment using filtration followed by evaporation and thermal decomposition after which it is disposed into deep sea. On the other hand the chloride waste is extremely hazardous and requires special case by neutralisation, followed by impoundment in a managed pond, where it is monitored for long-term for potential contamination to the soil and ground water. Rare-earth and prelanthanide wastes often end up in the pond where they are diluted and irretrievably lost for further use or recycle. Certain parts of the world the chloride process wastes are pumped via deep boreholes into porous geological strata. The present techniques of disposal are not only expensive but also pose continued threat groundwater and soil and marine life in case of sulphate waste [1, 2]."

Jan 1, 2009

By Nils Eivind Kamfjord, Mari K. Næss, Gabriella M. Tranell

"In oxidative ladle refining (OLR) of silicon, the metal surface is oxidized resulting in the formation of a condensed silica fume (SiO2). In the current work, industrial measurement campaigns were performed aiming to measure the fume generation during OLR. A thorough discussion of the possible mechanisms has been included in order to improve our understanding of the Si(1)-O2(g) system.The measurement campaigns were performed at the Elkem Salten plant in Norway. In addition to fume generation from OLR, the metal temperatures and ladle purge gas amount were recorded. The results of this work suggest that fume generation during OLR results from splashing of the metal and/or oxidation of the metal surface, with oxygen transport to the metal surface being the limiting factor. Other mechanisms of SiO2 formation were investigated, however insignificant.IntroductionOne of the main environmental and economical challenges facing the metallurgical industry is fugitive emissions of both materials and energy. In the production of metallurgical grade silicon (MG-Si), refining of the silicon generally takes place through an oxidative ladle treatment (purging with an air-O2 mixture). In the refining process, exposure of silicon to air results in the formation of condensed silica fumes (SiO2) – one of the main sources of fugitive emissions in silicon production plants. The oxidation of liquid silicon, as opposed to solid silicon, has not been widely studied and described in the literature [1], thus a thorough investigation of the oxidation mechanisms, and factors affecting the oxidation reaction rate are essential in order to deal with the problem. In the current work, the rate of liquid silicon oxidation has been studied through industrial measurements of fume generation from refining adles, where the purge gas rate and composition have been varied. The results from these measurements were discussed in light of existing models describing the liquid silicon oxidation kinetics."

Jan 1, 2011

By R. G. Robins

Metal separations based on the selective precipitation of phosphates have a potential application in many hydrometallurgical processes. This paper reviews the literature on the solubility of a number of both divalent and trivalent metal phosphates and presents the result of some additional experimental measurements. The systems examined have been modelled to obtain free energy of formation data for the various species. Computer generated solubility diagrams which are described can be useful in predicting a variety of metal separations.

Jan 1, 1991

By Chao Lian, Hongxu Li, Hao Bai, Wei Wei

"Application of high-emissivity coating on inner walls in industrial furnaces increases the furnace thermal efficiency. The coating with high emissivity strengthens radiation heat transfer in the furnace, however, according to Wien's displacement law and Planck's radiation law, under heating temperature, the wavelengths of the radiation transfer are mostly between 1-5 µm, implying that increasing emissivity of the coating in near infrared band is more effective for higher thermal efficiency. In this paper, a new CuO-ZnO-based coating material sintered at 1600K was developed. The emissivity of the samples were measured and the result shows that, in near-infrared band, the emissivity of the sample reaches 0.98 at 773K with 13at.% of CuO doped in ZnO. In addition, the effects of CuO doping and use temperature on emissivity were also discussed. Furthermore, crystallization behaviors of ZnO-CuO sintering were investigated by DTA,XRD and SEM-EDS etc., which offered information for possible optimal design of the material.1. IntroductionIndustrial furnaces are widely used in various industrial heating. For example, the metal smelting furnace, ore sintering furnace in metallurgical industry; the distillation furnace, cracking furnace in petroleum industry etc,. The research on efficient energy saving technology has important significance. High emissivity coatings are widely used in many high temperature applications to effectively transfer the heat by radiation [ 1]. The theoretical calculation and experimental studies have shown that, coated high emissivity coating in the heating surface is an effective method to enlarge the infrared radiation power [2].At present, the infrared high emissivity coating has been widely used in China, and have been achieved remarkable energy saving effect. According to Wien' s displacement law and Planck' slaw, most energy of the black body at high temperature is radiated in the wavelength range of l-5µm; however it happens that many materials have the low emissivity within this range. Thus, it is important to improve the near-infrared band emissivity of materials [3]."

Jan 1, 2013

By Shengqin Zhang, Jagannath Pal, Yousef Mohassab, Hong Yong Sohn, Mohamed Elzohiery

The kinetics of magnetite reduction with mixtures of hydrogen and CO of various compositions has been investigated as part of the development of a flash ironmaking process at the University of Utah. This new process bypasses the cokemaking and pelletization or sintering steps required for the blast furnace. The particle kinetics were studied using magnetite concentrate particles of different sizes. Reduction degree of 60% was achieved in a few seconds in at 1350 oC using CO reductant alone and over 90% when H2 + CO gas mixture was used. The effects of reductant partial pressures, temperature, and particle size on the reduction kinetics were studied.

Jan 1, 2016

By A. MacRae

Campaign life of the converting furnace has been limited by break-outs through the hearth and walls. Throughput of concentrate has increased by 60% since start-up of the copper operations in 1981. The Furnace Integrity program was initiated at Kidd in 1993 to improve the reliability and safety of the smelting-cleaning-converting furnace line. The converting furnace is undergoing a series of upgrades to overcome severe refractory wear to the roof, walls and hearth. A recent shut-down was held in March 1997 to implement improvements to the roof, walls and slag outlet. Wall modifications included a new upper shell, wall coolers which can be supported during a shut-down from outside of the vessel, and an increase in the number of cooling blocks. Improvements to the roof included increased cooling, a novel brick/cooler suspension system, and roof compression for gas tightness. Design is currently underway to deepen the refractory hearth, to decrease hearth erosion and increase resistance to flotation.

Jan 1, 1998

By W. Drummond

The cooling of smelter gases by air dilution, adiabatic evaporative cooling and indirect heat exchange is discussed with reference to the process, to the subsequent cleaning of the gas. and to the use of the heat extracted from the gas. The method of reducing the effect of acidic sulphide formation on the corrosive properties of the gas and the dust and the development of surface cleaning mechanisms?are discussed. The development of indirect recuperators using air, water or steam cooling, made possible by the control of surface fouling is traced. The application of the modern Waste Heat Boiler to the new sulphide smelting processes is discussed with respect to the natural and forced circulation concepts. Case histories are presented to illustrate mistakes made with respect to designs produced without recourse to sensitivity analysis and without an appreciation of "worst process? conditions".

Jan 1, 1992

By Steven M. Puricelli

Sulfuric acid plants associated with smelters, have historically been an overworked and often neglected pollution control device. They could do little more than manage the wide fluctuations in gas flow and SO2 strength from the smelter. With the introduction of flash smelting, the picture began to change, but the fluctuating batch converters continued to dictate acid plant design. More recently, the commercial use of continuous converting processes utilizing high levels of oxygen enrichment has dramatically upgraded the SO2 strength and stabilized the gas flow to the acid plant. The SO2 gas now issues continuously and at concentrations that allow for compact and, cost effective acid plants. Relieved of the burden of excessive dilution air, the heats of reaction can also be recovered as medium pressure steam and used to drive a generator, making the acid plant a net producer of power and a valuable asset to balance sheets. This concept was put into practice at the Kennecott Utah Copper Corporation smelter modernization project, located in Salt Lake City, Utah. The new acid plant, which was commissioned in June of 1995, is a sophisticated, low environmental impact, energy producing plant, worthy of review. This paper examines the key features of this acid plant, such as controlling its tail gas, by catalysis alone, to an environmentally friendly, 100 ppm of SO2, while feeding the acid plant converter with an efficient 14% SO2. The acid plant is also a prudent steward of energy resources, recovering 220,000 lb/hr of 140 psig steam from process heat which is used to generate a substantial 20 MW of gross power. Also discussed will be some of the ongoing issues, such as handling of selenium and fluorine in the gas cleaning sections, as well as a review of some. of the problems that were identified and resolved. Today's modem acid plants, by necessity, are becoming a producer of quality, valuable products, making the acid plant an asset and not a liability. Plants like Kennecott are already gaining wider acceptance and are expected to be the vision of the future.

Jan 1, 1998

By T. Shibasaki, S. Kamio, K. Kanamori

"Mitsubishi Process has been proven through fifteen years operation to be highly productive, cost efficient and easy to abate environmental requirements. However, in order the process to remain competitive from now on, it should also be adaptable to a variety of varying conditions. Various test works have been conducted from such a stand point of view and some of the new concepts have been implemented to the actual operation.The paper discusses the adaptability of the process to the change of concentrate grade with respect to copper and also impurities, acceptability of the secondary materials and the potential to increase unit capacity. IntroductionThe first commercial plant of Mitsubishi Process with 48,000 mt copper annual capacity started its operation at Naoshima Smelter of Mitsubishi Metal Corporation in 1974, and the second plant with 65,000 st annual capacity started in 1981, at Kidd Smelter, Timmins, Ontario, now Kidd Creek Division of Falconbridge Limited 2. These plants have increased their capacities to 90,000 mtpa respectively by adding oxygen and acid plant capacities while maintaining the original furnace design uncharged. Thereby both smelters have established more cost efficient operations. (3), (4)Mitsubishi Process applies so-called multi-furnace continuous system. Figure 1 shows conceptual flowsheet. Backgrounds that required and justified the development of such system are as follows:"

Jan 1, 1988

By E. Gutierrez-Miravete

A computational method for the simulation of mold filling processes is described. The method is based on the representation of the flowing or deforming medium as a collection of mutually interacting parcels of material. Instantaneous positions of individual material parcels are calculated by numerical integration of the dynamic equations, subject to appropriate initial and boundary conditions. So far, the method has been used to produce qualitative simulations of some flowing and deforming systems encountered in mold filling technology, and our findings are summarized herein. In all cases, individual material particle motions can be followed in detail, allowing critical examination of potentially problematic mold design features.

Jan 1, 1992

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

"We computed the optical properties of the cubic niobium nitride (o-NbN) compound using the full potential linearized augmented plane wave (FL-LAPW) method within density functional theory (DFT). The complex dielectric function and optical constants, such as optical absorption coefficient, refractive index, extinction coefficient, energy-loss spectrum, and reflectivity, are all calculated and compared with experimental results. The behavior of the computed quantities is similar to that obtained experimentally, but the optical positions are shifted to lower energies. This shift was related to the strong interband transitions, which are located at energies higher than 5 eV for NbN- as they are for IV B transition-metal mononitrides- and they appear in the computed spectra and not in the experimental spectra. These interband transitions simply shift the position of the reflectivity edge or the screened plasma frequency to the longer wavelength side.IntroductionIn recent years, NbN, as a transition metal nitride, has become a very popular material due to its high hardness, melting point, wear resistance, chemical inertness and temperature stability, which makes it suitable for use as emission cathodes in microelectronics and sensors, optical films and micro-mechanics etc [l]. Niobium nitride has long been known as highly polymorphic material, for which several crystalline structures have been reported in the literature [2]. These structures include the well known super-conducting rock-salt (Fm-3m, or Bl) structure (o-NbN), the hexagonal structure with space group p63/mmc and prototype Fe2N (18fuN), the hexagonalstructure with space group p63/mmc and prototype NiAs ~-NbN) and others.There has been a lot of computational studies for the structural and electronic properties ofNbN [3, 4-7], but according to our knowledge there is not any computational work that has been devoted to study the optical properties of this transition metal compound. At the same time a number of authors had performed experimental work in this direction. For example, Xin-kang et. al [l] studied the microstructure and optical properties of magnetron sputtered NbN thin films. Torche et. al [8] studied the composition, structure, electrical and optical properties of nonstoichiometric niobium nitrides. Newport et. al [9] investigated the reflection and transmission spectra of cubic niobium nitride films, and Tanabe et. al [10] had investigated the optical parameters and reflectivity of reactively sputtered NbN thin films by using in situ ellipsometry."

Jan 1, 2013