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Tantalum-Tungsten Oxide Thermite Composite Prepared by Sol-Gel Synthesis and Spark Plasma Sintering

Description: Energetic composite powders consisting of sol-gel derived nanostructured tungsten oxide were produced with various amounts of micrometer-scale tantalum fuel metal. Such energetic composite powders were ignition tested and results show that the powders are not sensitive to friction, spark and/or impact ignition. Initial consolidation experiments, using the High Pressure Spark Plasma Sintering (HPSPS) technique, on the sol-gel derived nanostructured tungsten oxide produced samples with higher relative density than can be achieved with commercially available tungsten oxide. The sol-gel derived nanostructured tungsten oxide with immobilized tantalum fuel metal (Ta - WO{sub 3}) energetic composite was consolidated to a density of 9.17 g.cm{sup -3} or 93% relative density. In addition those parts were consolidated without significant pre-reaction of the constituents, thus the sample retained its stored chemical energy.
Date: February 13, 2009
Creator: Cervantes, O; Kuntz, J; Gash, A & Munir, Z
Partner: UNT Libraries Government Documents Department

Catalytic hydrocarbon reactions over supported metal oxides. Final report, August 1, 1986--July 31, 1995

Description: Oxide catalysis plays a central role in hydrocarbon processing and improvements in catalytic activity or selectivity are of great technological importance because these improvements will translate directly into more efficient utilization of hydrocarbon supplies and lower energy consumption in separation processes. An understanding of the relationships between surface structure and catalytic properties is needed to describe and improve oxide catalysts. The approach has been to prepare supported oxides that have a specific structure and oxidation state and then employ these structures in reaction studies. The current research program is focused on studying the fundamental relationships between structure and reactivity for two important reactions that are present in many oxide-catalyzed processes, partial oxidation and carbon-carbon bond formation. During the course of these studies the author has: (1) developed methods to form and stabilize various Mo and W oxide structures on silica; (2) studied C-H abstraction reactions over the fully oxidized cations; (3) studied C-C bond coupling by metathesis and reductive coupling of aldehydes and ketones over reduced cation structures; and (4) initiated a study of hydrogenation and hydrogenolysis over reduced cation structures.
Date: October 20, 1995
Creator: Ekerdt, J.G.
Partner: UNT Libraries Government Documents Department

Tungsten-vanadium oxide sputtered films for Electrochromic Devices

Description: Mixed vanadium and tungsten oxide films with compositions ranging from 0 to 100% vanadium (metals basis) were prepared by reactive sputtering from metallic vanadium and tungsten targets in an atmosphere of argon and oxygen. The vanadium content varied smoothly with the fraction of total power applied to the vanadium target. Films containing vanadium were more color neutral than pure tungsten oxide films, tending to gray-brown at high V fraction. The electrochromic switching performance of these films was investigated by in situ monitoring of their visible transmittance during lithium insertion/extraction cycling in a non-aqueous electrolyte (1M LiClO{sub 4} in propylene carbonate). The solar transmittance and reflectance was measured ex situ. Films with vanadium content greater than about 15% exhibited a marked decrease in switching range. Coloration efficiencies followed a similar trend.
Date: October 1, 1998
Creator: Michalak, F.; Richardson, T.; Rubin, M.; Slack, J. & von Rottkay, K.
Partner: UNT Libraries Government Documents Department

Coordination and valence of europium in [Eu({alpha}-2-As{sub 2}W{sub 17}O{sub 61}){sub 2}]{sup 17{minus}} and [Eu(W{sub 5}O{sub 18}){sub 2}]{sup 9{minus}}

Description: Europium L{sub 3}-edge X-ray absorption fine structure (XAFS) spectroelectrochemistry was used to determine the valence of europium in [Eu({alpha}-2-As{sub 2}W{sub 17}O{sub 61}){sub 2}]{sup 17{minus}} and [Eu(w{sub 5}O{sub 18}){sub 2}]{sup 9{minus}}. Dilute solutions of these anions in aqueous supporting electrolytes were examined at ambient temperature and at extreme potentials. In situ XANES (X-ray absorption near edge structure) data revealed that Eu is trivalent in both [Eu({alpha}-2-As{sub 2}W{sub 17}O{sub 61}){sub 2}]{sup 17{minus}} and [Eu(W{sub 5}O{sub 18}){sub 2}]{sup 9{minus}} at rest potential. Furthermore, it was not reduced to Eu{sup 2+} by constant-potential bulk electrolysis at significantly reducing potentials under the electrochemical conditions used herein. These results stand in obvious contrast to the redox behavior of [EuP{sub 5}W{sub 30}O{sub 110}]{sup 12{minus}}, in which Eu{sup 3+} is reduced to Eu{sup 2+} under similar electrochemical conditions.
Date: September 1, 1997
Creator: Antonio, M.R.; Soderholm, L.; Jennings, G.; Francesconi, L.C.; Dankova, M. & Bartis, J.
Partner: UNT Libraries Government Documents Department


Description: Experiments were conducted to measure the rates of oxidation and vaporization of pure tungsten rods in flowing air, steam and air-steam mixtures in laminar flow. Also measured were the downstream transport of tungsten-oxide condensation aerosols and their region of deposition, including plateout in the superheated flow tube, rainout in the condenser and ambient discharge which was collected on an array of sub-micron aerosol filters. The nominal conditions of the tests, with the exception of the first two tests, were tungsten temperatures of 1000 C, gas mixture temperatures of 200 C and wall temperatures of 150 C to 200 C. It was observed that the tungsten oxidation rates were greatest in all air and least in all steam, generally decreasing non-linearly with increasing steam mole fraction. The tungsten oxidation rates in all air were more than five times greater than the tungsten oxidation rates in all steam. The tungsten vaporization rate was zero in all air and increased with increasing steam mole fraction. The vaporization rate became maximum at a steam mole fraction of 0.85 and decreased thereafter as the steam mole fraction was increased to unity. The tungsten-oxide was transported downstream as condensation aerosols, initially flowing upwards from the tungsten rod through an 18-inch long, one-inch diameter quartz tube, around a 3.5-inch radius, 90{sup o} bend and laterally through a 24-inch horizontal run. The entire length of the quartz glass flow path was heated by electrical resistance clamshell heaters whose temperatures were individually controlled and measured. The tungsten-oxide plateout in the quartz tube was collected, nearly all of which was deposited at the end of the heated zone near the entrance to the condenser which was cold. The tungsten-oxide which rained out in the condenser as the steam condensed was collected with the condensate and weighed after being dried. The ...
Date: October 1, 2001
Partner: UNT Libraries Government Documents Department


Description: The vaporization of tungsten from the APT spallation target dominates the radiological source term for unmitigated target overheating accidents. Chemical reactions of tungsten with steam which persist to tungsten temperatures as low as 800 C result in the formation of a hydrated tungsten-oxide which has a high vapor pressure and is readily convected in a flowing atmosphere. This low-temperature vaporization reaction essentially removes the oxide film that forms on the tungsten-metal surface as soon as it forms, leaving behind a fresh metallic surface for continued oxidation and vaporization. Experiments were conducted to measure the oxidative vaporization rates of tungsten in steam as part of the effort to quantify the MT radiological source term for severe target accidents. Tests were conducted with tungsten rods (1/8 inch diameter, six inches long) heated to temperatures from approximately 700 C to 1350 C in flowing steam which was superheated to 140 C. A total of 19 experiments was conducted. Fifteen tests were conducted by RF induction heating of single tungsten rods held vertical in a quartz glass retort. Four tests were conducted in a vertically-mounted tube furnace for the low temperature range of the test series. The aerosol which was generated and transported downstream from the tungsten rods was collected by passing the discharged steam through a condenser. This procedure insured total collection of the steam along with the aerosol from the vaporization of the rods. The results of these experiments revealed a threshold temperature for tungsten vaporization in steam. For the two tests at the lowest temperatures which were tested, approximately 700 C, the tungsten rods were observed to oxidize without vaporization. The remainder of the tests was conducted over the temperature range of 800 C to 1350 C. In these tests, the rods were found to have lost weight due to vaporization ...
Date: October 1, 2000
Partner: UNT Libraries Government Documents Department


Description: Zirconium anodizes similarly to tungsten in respect to the change of interference colors with applied voltage. However, the oxide layer on tungsten cannot reach as great a thickness. Hafnium does not anodize in the same way as zirconium but is similar to tantalum. By measuring the interference color and capacitative thicknesses on zirconium (Grades I and III) and a 2.5 wt.% tin ailoy, the film was found to grow less rapidly in terms of capacitance than in terms of iaterference colors. This was interpreted to mean that cracks develop in the oxide as it thickens. The effect was most pronounced on Grade III zirconium and least pronounced on the tin alloy. The reduction in capacitative thickness was especially noticeable when white oxide appeared. Comparative measurements on Grade I zirconium and 2.5 wt.% tin alloy indicated that the thickness of the oxide film on the tin alloy (after 16 hours in water) increased more rapidly with temperature than the film on zirconium. Tin is believed to act in ways to counteract the tendency of the oxide to form cracks, and to produce vacancies which promote ionic diffusion. (auth)
Date: May 1960
Creator: Misch, R. D.
Partner: UNT Libraries Government Documents Department

Physical properties of erbium implanted tungsten oxide filmsdeposited by reactive dual magnetron sputtering

Description: Amorphous and partially crystalline WO3 thin films wereprepared by reactive dual magnetron sputtering and successively implantedby erbium ions with a fluence in the range from 7.7 x 1014 to 5 x 1015ions/cm2. The electrical and optical properties were studied as afunction of the film deposition parameters and the ion fluence. Ionimplantation caused a strong decrease of the resistivity, a moderatedecrease of the index of refraction and a moderate increase of theextinction coefficient in the visible and near infrared, while theoptical band gap remained almost unchanged. These effects could belargely ascribed to ion-induced oxygen deficiency. When annealed in air,the already low resistivities of the implanted samples decreased furtherup to 70oC, whereas oxidation, and hence a strong increase of theresistivity, was observed at higher annealing temperatures.
Date: November 8, 2006
Creator: Mohamed, Sodky H. & Anders, Andre
Partner: UNT Libraries Government Documents Department

LIFE Chamber Chemical Equilibrium Simulations with Additive Hydrogen, Oxygen, and Nitrogen

Description: In order to enable continuous operation of a Laser Inertial confinement Fusion Energy (LIFE) engine, the material (fill-gas and debris) in the fusion chamber must be carefully managed. The chamber chemical equilibrium compositions for post-shot mixtures are evaluated to determine what compounds will be formed at temperatures 300-5000K. It is desired to know if carbon and or lead will deposit on the walls of the chamber, and if so: at what temperature, and what elements can be added to prevent this from happening. The simulation was conducted using the chemical equilibrium solver Cantera with a Matlab front-end. Solutions were obtained by running equilibrations at constant temperature and constant specific volume over the specified range of temperatures. It was found that if nothing is done, carbon will deposit on the walls once it cools to below 2138K, and lead below 838K. Three solutions to capture the carbon were found: adding pure oxygen, hydrogen/nitrogen combo, and adding pure nitrogen. The best of these was the addition of oxygen which would readily form CO at around 4000K. To determine the temperature at which carbon would deposit on the walls, temperature solutions to evaporation rate equations needed to be found. To determine how much carbon or any species was in the chamber at a given time, chamber flushing equations needed to be developed. Major concerns are deposition of carbon and/or oxygen on the tungsten walls forming tungsten oxides or tungsten carbide which could cause embrittlement and cause failure of the first wall. Further research is needed.
Date: September 3, 2009
Creator: DeMuth, J A & Simon, A J
Partner: UNT Libraries Government Documents Department


Description: The design and operation of a calorimeter for use in the temperature range 1.8 to 4.2 deg K are presented, and the methods used in the treatment of data and calculation of results are discussed. The heat capacities of several Na- W bronzes (Na/sub x/WO/sub 3/) were determined in the temperature interval 1.8 to 4.2 deg K. Samples having x equal to 0.89, heat capacities are described adequately by the sum of two terms, one linear and one cubic in temperature. The electronic specific heat of each sample is obtained by evaluating the coefficient of the linear term, and the Rebye eharacteristic temperature derived from the coefficient of the cubic term. Rensities of one-electron energy levels at the Fermi energy, and effective electronic masses are calculated from the electronic specific heats. A plot of the density of states as a function of energy can be made if it is assumed that this curve is independent of Na concentration. The justification of this assumption is discussed in the light of current theories of the solid state. The density of states curve rises rapidly at higher energies, and this rise is interpreted in terms of the filling of a Brillouin zone or of an overlap of two bands. (auth)
Date: March 1, 1957
Creator: Vest,R.W.; Griffel, M. & Smith, J.F.
Partner: UNT Libraries Government Documents Department

High-resolution structural studies of ultra-thin magnetic, transition metal overlayers and two-dimensional transition metal oxides using synchrotron radiation

Description: This thesis report the surface-structure determination of three, ultra-thin magnetic transition-metal films, Fe/Au(100), Mn/Ni(100), and Mn/Cu(100) using Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) and photoelectron holography. These structural studies are the first to use non-s initial states in the ARPEFS procedure. This thesis also reports an ARPEFS surface-structure determination of a two-dimensional transition-metal oxide, [(1 x 1)O/W(110)] x 12. The authors have analyzed the ARPFES signal from the Au 4f{sub 7/5} core level of the Au(1 ML)/Fe(15 ML)/Au(100) system. The analysis shows that the Fe grows layer by layer with one monolayer of gold, acting as a surfactant, remaining on top of the growing Fe layers. These surface gold atoms sit in the four-fold hollow site, 1.67 {+-} 0.02 A above the iron surface. The grown Fe layer is very much like the bulk, bcc iron, with an interlayer spacing of 1.43 {+-} 0.03 A. Analysis of the Mn 3p ARPEFS signals from c(2 x 2)Mn/Ni(100) and c(2 x 2)Mn/Cu(100) shows that the Mn forms highly corrugated surface alloys. The corrugation of the Mn/Ni(100) and Mn/Cu(100) systems are 0.24 {+-} 0.02 A and 0.30 {+-} 0.04 A respectively. In both cases the Mn is sticking above the plane of the surface substrate atoms. For the Mn/Ni(100) system the first layer Ni is contracted 4% from the bulk value. The Mn/Cu(100) system shows bulk spacing for the substrate Cu. Photoelectron holography shows that the Mn/Ni interface is very abrupt with very little Mn leaking into the second layer, while the Mn/Cu(100) case has a significant amount of Mn leaking into the second layer. A new, five-element electrostatic electron lens was developed for hemispherical electron-energy analyzers. This lens system can be operated at constant transverse or constants angular magnification, and has been optimized for use with the very small photon-spot sizes. Improvements ...
Date: May 1997
Creator: Kellar, S. A.
Partner: UNT Libraries Government Documents Department

Optical indices of lithiated electrochromic oxides

Description: Optical indices have been determined for thin films of several electrochromic oxide materials. One of the most important materials in electrochromic devices, WO{sub 3}, was thoroughly characterized for a range of electrochromic states by sequential injection of Li ions. Another promising material, Li{sub 0.5}Ni{sub 0.5}O, was also studied in detail. Less detailed results are presented for three other common lithium-intercalating electrochromic electrode materials: V{sub 2}O{sub 5}, LiCoO{sub 2}, and CeO{sub 2}-TiO{sub 2}. The films were grown by sputtering, pulsed laser deposition (PLD) and sol-gel techniques. Measurements were made using a combination of variable-angle spectroscopy ellipsometry and spectroradiometry. The optical constants were then extracted using physical and spectral models appropriate to each material. Optical indices of the underlying transparent conductors, determined in separate studies, were fixed in the models of this work. The optical models frequently agree well with independent physical measurements of film structure, particularly surface roughness by atomic force microscopy. Inhomogeneity due to surface roughness, gradient composition, and phase separation are common in both the transparent conductors and electrochromics, resulting sometimes in particularly complex models for these materials. Complete sets of data are presented over the entire solar spectrum for a range of colored states. This data is suitable for prediction of additional optical properties such as oblique transmittance and design of complete electrochromic devices.
Date: September 1, 1996
Creator: Rubin, M.; Rottkay, K. von; Wen, S.J.; Ozer, N. & Slack, J.
Partner: UNT Libraries Government Documents Department

Sol-gel deposited electrochromic films for electrochromic smart window glass

Description: Electrochromic windows offer the ability to dynamically change the transmittance of a glazing. With the appropriate sensor and controls, this smart window can be used for energy regulation and glare control for a variety of glazing applications. The most promising are building and automotive applications. This work covers the use of sol-gel deposition processes to make active films for these windows. The sol-gel process offers a low-capital investment for the deposition of these active films. Sol-gel serves as an alternative to more expensive vacuum deposition processes. The sol-gel process utilizes solution coating followed by a hydrolysis and condensation. In this investigation the authors report on tungsten oxide and nickel oxide films made by the sol-gel process for electrochromic windows. The properties of the sol-gel films compare favorably to those of films made by other techniques. A typical laminated electrochromic window consists of two glass sheets coated with transparent conductors, which are coated with the active films. The two sheets are laminated together with an ionically conductive polymer. The range of visible transmission modulation of the tungsten oxide was 60% and for the nickel oxide was 20%. The authors used the device configuration of glass/SnO{sub 2}:F/W0{sub 3}/polymer/Li{sub Z}NiO{sub x}H{sub y}/SnO{sub 2}:F glass to test the films. The nickel oxide layer had a low level of lithiation and possibly contained a small amount of water. Lithiated oxymethylene-linked poly(ethylene oxide) was used as the laminating polymer. Commercially available SnO{sub 2}:F/glass (LOF-Tec glass) was used as the transparent conducting glass. The authors found reasonable device switching characteristics which could be used for devices.
Date: August 1, 1996
Creator: Oezer, N.; Lampert, C.M. & Rubin, M.
Partner: UNT Libraries Government Documents Department

Chromic mechanism in amorphous WO{sub 3} films

Description: The authors propose a new model for the chromic mechanism in amorphous tungsten oxide films (WO{sub 3{minus}y}{center_dot}nH{sub 2}O). This model not only explains a variety of seemingly conflicting experimental results reported in the literature that cannot be explained by existing models, it also has practical implications with respect to improving the coloring efficiency and durability of electrochromic devices. According to this model, a typical as-deposited tungsten oxide film has tungsten mainly in W{sup 6+} and W{sup 4+} states and can be represented as W{sub 1{minus}y}{sup 6+} W{sub y}{sup 4+}O{sub 3{minus}y}{center_dot}nH{sub 2}O. The proposed chromic mechanism is based on the small polaron transition between the charge-induced W{sup 5+} state and the original W{sup 4+} state instead of the W{sup 5+} and W{sup 6+} states as suggested in previous models. The correlation between the electrochromic and photochromic behavior in amorphous tungsten oxide films is also discussed.
Date: November 1, 1996
Creator: Zhang, J.G.; Benson, D.K.; Tracy, C.E.; Deb, S.K.; Czanderna, A.W. & Bechinger, C.
Partner: UNT Libraries Government Documents Department

Low-Cost, Fiber-Optic Hydrogen Gas Detector Using Guided-Wave, Surface-Plasmon Resonance in Chemochromic Thin Films

Description: Low-cost, hydrogen-gas-leak detectors are needed for many hydrogen applications, such as hydrogen-fueled vehicles where several detectors may be required in different locations on each vehicle. A fiber-optic leak detector could be inherently safer than conventional detectors, because it would remove all detector electronics from the vicinity of potential leaks. It would also provide freedom from electromagnetic interference, a serious problem in fuel-cell-powered electric vehicles. This paper describes the design of a fiber-optic, surface-plasmon-resonance hydrogen detector, and efforts to make it more sensitive, selective, and durable. Chemochromic materials, such as tungsten oxide and certain Lanthanide hydrides, can reversibly react with hydrogen in air while exhibiting significant changes in their optical properties. Thin films of these materials applied to a sensor at the end of an optical fiber have been used to detect low concentrations of hydrogen gas in air. The coatings include a thin silver layer in which the surface plasmon is generated, a thin film of the chemochromic material, and a catalytic layer of palladium that facilitates the reaction with hydrogen. The film thickness is chosen to produce a guided-surface plasmon wave along the interface between the silver and the chemochromic material. A dichroic beam-splitter separates the reflected spectrum into a portion near the resonance and a portion away from the resonance, and directs these two portions to two separate photodiodes. The electronic ratio of these two signals cancels most of the fiber transmission noise and provides a stable hydrogen signal.
Date: October 20, 1998
Creator: Benson, D. K.; Tracy, C. E.; Lee, S-H. (National Renewable Energy Laboratory); Hishmeh, G. A.; Haberman, D. P. (DCH Technologies, Valencia, CA) & Ciszek, P. A. (Evergreen Solar, Waltham, MA)
Partner: UNT Libraries Government Documents Department


Description: The results of studies related to the oxidation of tungsten and its alloys are presented. The pressure of WO/sub 3/ polymers over WO/sub 2/ was measured in a tungsten Knudsen cell andd found to agree with measurements in a platinum cell. Literature data for WO/sub 2/ and WO/sub 3/ were combined with vapor pressures determined to give thermodynamic values for W/sub 18/O/sub 49/and W/sub 20/O/sub 58/. Tungsten oxidation rates were measured from 800 to 1700 deg C and in pressures of oxygen between 2 x l0/sup -1/ and 10/sup -2/ atmospheres. The effects of oxygen pressure indicate that the rate may be governed by oxygen dissociating to atoms in the reacting surface. The oxidation rate is demonstrated to be independent of the oxide evaporation rate. All of the evidence indicates that if an oxide barrier layer is present at temperatures above 800 deg C it must be very thin. Studies on the oxidation of tantalum tungsten alloys between 800 and l200 deg C indicate that the 50-50 alloy has the greatest oxidation resistance, oxidizing at a rate as much as l0 times slower than tungsten alone. (auth)
Date: December 1, 1961
Creator: Blackburn, P.E.; Andrew, K.F.; Gulbransen, E.A. & Brassart, F.A.
Partner: UNT Libraries Government Documents Department

Review of lithium-ion technology

Description: The first practical use of graphite intercalation compounds (GIC) as battery anodes was reported in a 1981 patent by Basu in which a molten salt cell was described having a negative electrode that consisted of lithium intercalated in graphite. A second patent by Basu, issued in 1983, described an ambient temperature rechargeable system which also utilized lithium intercalated in graphite as the anode. Work in this area progressed at a low level, however, until interest was sparked in 1990 when Sony Corporation announced a new ``lithium-ion`` rechargeable cell containing a lithium ion intercalating carbon anode. These cells have the advantages of metallic lithium systems; i.e., high energy density, high voltage, and light weight, without the disadvantages of dendrite formation on charge and the safety considerations associated with metallic lithium. Materials other than carbon have been studied as intercalation anodes. Examples are Fe{sub 2}O{sub 3}, WO{sub 2} and TiS{sub 2}. Although these alternate anode materials are of interest academically and for specialty applications, they do not hold much promise for widespread general use due to their increased weight and lower cell voltage. Studies of cathode materials for lithium-ion systems have centered on the transition metal chalcogenides. A number of these materials are capable of reversibly intercalating lithium ions at a useful potential versus lithium. Both organic liquids and polymers are candidate electrolytes for this technology.
Date: December 31, 1993
Creator: Levy, S. C. & Cieslak, W. R.
Partner: UNT Libraries Government Documents Department

Low severity upgrading of F-T waxes with solid superacids. Quarterly report, June 1, 1993--August 31, 1993

Description: During the last quarter isomerization and hydrocracking of n-hexadecane were carried out in a continuous flow fixed bed reactor described in a previous report. Test runs showed that the temperature and pressure in this reactor can be controlled to within {+-} 1 C and {+-} 2 psig, respectively. The reaction conditions were 160 C and 350 psig constant hydrogen pressure. Interestingly, product distribution from isomerization and hydrocracking of n-hexadecane conducted in this reactor is similar to that obtained from the microreactor experiments. The long-term stability of the Pt/ZrO{sub 2}/SO{sub 4} catalyst was studied using this fixed bed reactor with n-hexadecane as a feedstock. Evidence was obtained that, in the presence of H{sub 2}, the Pt/ZrO{sub 2}/SO{sub 4} catalyst maintains its activity for as long as 96 hours with no evidence of deactivation. The effect of addition of transition metals on the activity of ZrO{sub 2}/SO{sub 4} was compared. Pt and Pd greatly enhanced the hydrotreating activity of ZrO{sub 2}/SO{sub 4}. The activities of Pt/ZrO{sub 2}/SO{sub 4}, Pt/ZrO{sub 2}/MoO{sub 4} and Pt/ZrO{sub 2}/WO{sub 4} catalysts were also compared; it was found that the Pt/ZrO{sub 2}/SO{sub 4} catalyst gave highest activity in isomerization and hydrocracking of long-chain paraffins. The authors also found that, even at high severity conditions, i.e., 300 C/600 psig and 250 C/1,200 psig, the Pt/ZrO{sub 2}/SO{sub 4} catalyst is active.
Date: December 1, 1993
Creator: Tierney, J. W. & Wender, I.
Partner: UNT Libraries Government Documents Department


Description: A literature survey was performed in order to provide an adequate basis for selecting models for comparison with the data. A computer program was written that allows calculation of void profiles based on an exponential model. A variable exponent is input data for the program, which also computes an integrated average void fraction. After the test section installation was completed, shakedown tests were performed to assure that all equipment was operating properly. All water and all air reference traverses were run with the gamma attenuation equipment. The first twophase run was accomplished at a superficial liquid velocity of one foot per second. (auth)
Date: October 10, 1963
Creator: Bezella, W.A.; Healy, M.; Kangas, G.J. & Neusen, K.F.
Partner: UNT Libraries Government Documents Department

Early Transition Metal Oxides as Catalysts: Crossing Scales from Clusters to Single Crystals to Functioning Materials

Description: The overall goal of this program is to investigate the electronic structure and chemical bonding of early transition metal oxide clusters and use them as well-defined molecular models to obtain insight into properties and mechanisms of oxide catalysts, as well as to provide accurate spectroscopic and molecular information to verify theoretical methods used to predict materials properties. A laser vaporization cluster source is used to produce metal oxide clusters with different sizes, structures, and compositions. Well-defined inorganic polyoxometalate clusters in solution are transported in the gas phase using electrospray. Two state-of-the-art photoelectron spectroscopy apparatuses are used to interrogate the oxide clusters and polyoxometalate anions in the gas phase to obtain spectroscopic and electronic structure information. The experimental effort is assisted by theoretical calculations to understanding the structures, chemical bonding, and catalytical properties of the transition metal oxide clusters. The research approach combines novel and flexible experimental techniques and advanced theoretical/computational methodologies and seeks molecular-level information to aiding the design of new catalysts, as well as mechanistic understanding. We have focused on the investigation of tungsten oxide clusters containing three W atoms: W{sub 3}O{sub x}{sup -} (x = 7-11). A number of interesting findings have been made. We observed that the oxygen-poor W{sub 3}O8 cluster contains a localized W{sup 4+} center, which can be used as a molecular model for O-deficient defect sites. A chemisorption energy was obtained through density functional calculations for W{sub 3}O8 + O{sub 2} {yields} W{sub 3}O{sub 10} as -78 kcal/mol. We further found that the neutral stoichiometric W{sub 2}O{sub 6} and W{sub 3}O{sub 9} clusters do not react with O{sub 2} and they only form physi-sorbed complexes, W{sub 2}O{sub 6}(O{sub 2}) and W{sub 3}O{sub 9}(O{sub 2}). However, the negatively charged W{sub 2}O{sub 6}{sup -} and W{sub 3}O{sub 9}{sup -} clusters are found to form chemisorbed complexes ...
Date: July 7, 2009
Creator: Wang, Lai-Sheng
Partner: UNT Libraries Government Documents Department