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Computational Quantum Chemistry [Website]

Description: This report contains the contents of a web page related to research on the development of quantum chemistry methods for computational thermochemistry and the application of quantum chemistry methods to problems in material chemistry and chemical sciences. Research programs highlighted include: Gaussian-2 theory; Density functional theory; Molecular sieve materials; Diamond thin-film growth from buckyball precursors; Electronic structure calculations on lithium polymer electrolytes; Long-distanc… more
Date: August 22, 1997
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

The Effect of Running Speed on VO2 Kinetics in the Severe Exercise Domain

Description: There has been an interest in the kinetics of the V02 response during exercise at various intensities. However, most studies focus on the response of submaximal intensities whereas few studies have examined V02 kinetics at severe intensities. The purpose of this study was to evaluate the effect of exercise intensity on V02 kinetics over a range of severe intensities.
Date: December 1997
Creator: Williams, Christine Suzanne
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Decomposition of triphenylborane with enhanced comprehensive catalyst under aerated and inert conditions

Description: This work investigated the decomposition of triphenylborane in a statistically-designed set of tests to determine the effects of four process variables: temperature, hydroxide concentration, catalyst concentration, and atmosphere. Analysis of these tests provide the following conclusions:(1) The presence of tetraphenylborate solids facilitate a 10X increase in the rate of decomposition of triphenylborane, (2) The presence of oxygen slows the decomposition of triphenylborane, (3) The activation … more
Date: September 30, 1997
Creator: Wilmarth, W. R.; Crawford, C. L.; Peterson, R. A. & White, T. L.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Dilute Oxygen Combustion Phase I Final Report

Description: A novel burner, in which fuel (natural gas) and oxidant (oxygen or air) are separately injected into a furnace, shows promise for achieving very low nitrogen oxide(s) (NOx) emissions for commercial furnace applications. The dilute oxygen combustion (DOC) burner achieves very low NOx through in-furnace dilution of the oxidant stream prior to combustion, resulting in low flame temperatures, thus inhibiting thermal NOx production. The results of a fundamental and applied research effort on the dev… more
Date: October 31, 1997
Creator: Ryan, H.M.; Riley, M.F. & Kobayashi, H.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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A new 14 GHz Electron-Cyclotron-Resonance Ion Source (ECRIS) for the Heavy Ion Accelerator Facility ATLAS

Description: A new 14 GHz Electron-Cyclotron-Resonance Ion Source (ECRIS) has been designed and built over the last two years. The source, which is a modification of the AECR at Berkeley, incorporates the latest results from ECR developments to produce intense beams of highly charged ions, i.e. an improved magnetic confinement of the plasma electrons. The aluminum plasma chamber and extraction electrode as well as a biased disk on axis at the microwave injection side donate additional electrons to the plasm… more
Date: April 1, 1997
Creator: Schlapp, M.; Vondrasek, R. C.; Szczech, J.; Billquist, P. J.; Pardo, R. C.; Xie, Z. Q. et al.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Impact of alfalfa on soil and water quality

Description: Dominance of row crop agriculture in rolling landscapes of western and Southwestern Minnesota is identified as a primary, non-point source of sediments and associated pollutants reaching the Minnesota River. Currently as a biomass energy project, alfalfa is being promoted in western Minnesota to harvest the leaves for animal feed and stems to generate electricity. As a perennial, leguminous crop grown with minimum inputs, introduction of alfalfa in row cropped lands has potential to improve bot… more
Date: October 30, 1997
Creator: Sharma, P.; Moncrief, J. & Gupta, S.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Phase stability of the mixed-conducting Sr-Fe-Co-O system.

Description: Mixed-conducting ceramic oxides have potential uses in high-temperature electrochemical applications such as solid oxide fuel cells, batteries, sensors, and oxygen-permeable membranes. The Sr-Fe-Co-O system combines high electronic/ionic conductivity with appreciable oxygen permeability at elevated temperatures. Dense ceramic membranes made of this material can be used to separate high-purity oxygen from air without the need for external electrical circuitry, or to partially oxidize methane to … more
Date: December 12, 1997
Creator: Ma, B.; Balachandran, U.; Hodges, J. P.; Jorgensen, J. D.; Miller, D. J. & Richardson, J. W., Jr.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Underpotential deposition of Ag adlayers on Pt(111): Structures and determination of O{sub 2} adsorption on Pt(111)

Description: The structure of Ag adlayers deposited at underpotentials in sulfuric acid on Pt(111), and the inhibition of O{sub 2} reduction they cause, have been studied using grazing incident angle x-ray diffraction measurements, as well as linear sweep voltammetry and in situ FTIR spectroscopy. Ag forms a hexagonal incommensurate bilayer, with two mutually commensurate monolayers. It is aligned with the Pt(111) substrate, although slightly expanded. The first monolayer has a commensurate (1 x 1) structur… more
Date: September 1, 1997
Creator: Marinkovic, N. S.; Wang, J. X. & Adzic, R. R.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Supercritical fluid phase separations induced by chemical reactions

Description: Our statistical mechanical studies predict that a chemically reactive system containing species composed of C, H, N, O atoms can exhibit a phase separation into a N{sub 2}-rich and a N{sub 2}-poor phase. The preset work is concerned with the effect of the fluid phase separation upon addition of F atoms in the system. Our study shows that F atoms mainly appear as a constituent of HF in a N{sub 2}-poor fluid phase up to a certain pressure beyond which they occur as CF{sub 4} in a N{sub 2}-rich ph… more
Date: November 1997
Creator: Ree, F. H.; Viecelli, J. A. & van Thiel, M.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
open access

A new 14 GH{sub z} electron-cyclotron-resonance ion source (ECRIS) for the heavy ion accelerator facility ATLAS

Description: A new 14 GHz ECRIS has been designed and built over the last two years. The source design incorporates the latest results from ECR developments to produce intense beams of highly charged ions. An improved magnetic electron confinement is achieved from a large mirror ratio and strong hexapole field. The aluminum plasma chamber and extraction electrode as well as a biased disk on axis at the microwave injection side donate additional electrons to the plasma, making use of the large secondary elec… more
Date: September 1, 1997
Creator: Schlapp, M.; Vondrasek, R.C.; Szczech, J.; Biliquist, P.J.; Pardo, R.C.; Xie, Z.Q. et al.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Experiments and Computational Modeling of Pulverized Coal Ignition

Description: Under typical conditions of pulverized coal combustion, which is characterized by fines particles heated at very high rates, there is currently a lack of certainty regarding the ignition mechanism of bituminous and lower rank coals. It is unclear whether ignition occurs first at the particle oxygen interface (heterogeneous ignition) or if it occurs in the gas phase due to ignition of the devolatilization products (homogeneous ignition). Furthermore, there have been no previous studies aimed at … more
Date: May 1, 1997
Creator: Chen, J. C.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Supersonic cluster jet source for debris-free extreme ultraviolet production

Description: The supersonic cluster jet has been developed and characterized for use as a target medium to produce a clean source of extreme ultraviolet radiation for extreme ultraviolet lithography and other applications. Spectroscopic characterization of the laser plasma emission produced from Xe, O{sub 2} and Kr cluster gas targets has been performed. Xe is the most efficient target gas, exhibiting a conversion efficiency at 13.5 nm of 0.8% into the relevant 2.5% spectral bandwidth. The other target gase… more
Date: September 1, 1997
Creator: Kubiak, G.D. & Bernardez, L.J.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Neutron spectrum adjustment using reaction rate data acquired with a liquid dosimetry system

Description: A dosimetry technique based on neutron activation of circulating water with dissolved salts is discussed. The neutron source was the FNS accelerator at JAERI, Tokai, Japan. Yttrium chloride hexahydrate (YCl{sub 3{center_dot}}6H{sub 2}O) was the salt (264.9 grams dissolved in 16.094 liters of water). Gamma-ray yields were measured with an intrinsic Ge detector. The following reactions were examined: (1) {sup 16}O(n,p){sup 16}N (E{sub thresh} = 10.245 MeV, t{sub 1/2} = 7.13 sec, E{sub {gamma}} = … more
Date: August 1, 1997
Creator: Smith, D. L.; Ikeda, Y.; Uno, Y. & Maekawa, F.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Phenyl radical thermolysis and rate constants for phenyl + O{sub 2}

Description: The thermal decomposition of C{sub 6}H{sub 5}I has been used to prepare in-situ known initial concentrations of phenyl radicals at high temperatures. These can be degraded by direct decomposition at T > 1350 K giving H + C{sub 6}H{sub 4}. Using H-atom ARAS, rate constants for C{sub 6}H{sub 5} dissociation have been measured. Using the same ARAS technique, constants for C{sub 6}H{sub 5} dissociation have been measured. Using the same ARAS technique, the H- and O-atoms formed from the reaction, C… more
Date: August 1, 1997
Creator: Kumaran, S. S. & Michael, J. V.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Environmental evaluation of Surface Mounted Devices (SMD)

Description: We evaluated the comparative reliability of solder interconnections used for Leadless Chip Carriers (LCCs), Meaded, and flat-pack hybrid microcircuits mounted on FR-4 glass epoxy printed wiring boards (PWBs). The board assemblies, with solder attached microcircuits, were repeatedly thermal cycled from - 65 to +125{degrees}C. We recognize that this temperature range far exceeds most testing of assemblies. The purposes of these tests were to evaluate worst-case conditions and to obtain comparativ… more
Date: June 1, 1997
Creator: Barr, V.C. & Andrade, A.D.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Rate inhibition of steam gasification by adsorbed hydrogen. Technical progress report, April 1, 1996--June 30, 1996

Description: In this the eleventh quarter of the grant period, experimental research focused on the stability of adsorbed hydrogen on the surface of annealed Saran char during gasification in both hydrogen and oxygen. The general experimental procedures used throughout the grant have been followed, namely gasification in one or more gaseous environments followed by temperature programmed desorption to 1500{degrees}C to determine the quantity of hydrogen adsorbed on the char surface at the end of gasificatio… more
Date: December 31, 1997
Creator: Miller, D.J.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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The Role of Oxygen in the Copper-Catalyzed Decomposition of Phenylborates in Aqueous Alkaline Solutions

Description: The effect of oxygen on the copper-catalyzed hydrolysis of phenyl borates containing from one to four phenyl groups was studied in 1 M aqueous sodium hydroxide solution at 59 degrees C. The results are tentatively explained if the effective catalyst for each of the reactions is either cupric or cuprous ion, with the latter being present in significant concentration only in the absence of air.
Date: March 17, 1997
Creator: Hyder, M.L.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Hydrous pyrolysis/oxidation: in-ground thermal destruction of organic contaminants

Description: Experimental work with organic solvents at Lawrence Livermore National Laboratory has suggested that in situ thermal oxidation of these compounds via hydrous pyrolysis forms the basis for a whole new remediation method, called hydrous pyrolysis oxidation. Preliminary results of hydrothermal oxidation using both dissolved 0{sub 2} gas and mineral oxidants present naturally in soils (e.g., MnO{sub 2}) demonstrate that TCE, TCA, and even PCE can be rapidly and completely degraded to benign product… more
Date: March 11, 1997
Creator: Knauss, K. G.; Aines, R. D.; Dibley, M. J.; Leif, R. N. & Mew, D. A.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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In Situ Infrared Study of Catalytic Decomposition of NO: Second Semiannual Report, 1996

Description: The growing concerns for the environment and increasingly stringent standards for NO emission have presented a major challenge to control NO emissions from electric utility plants and automobiles. Catalytic decomposition of NO is the most attractive approach for the control of NO emission for its simplicity. Successful development of an effective catalyst for NO decomposition will greatly decrease the equipment and operation cost of NO control. Due to lack of understanding of the mechanism of N… more
Date: April 1, 1997
Creator: Chuang, S. S. & Tan, Cher-Dip
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Evidence that Arrhenius high-temperature aging behavior for an EPDM o-ring does not extrapolate to lower temperatures

Description: Because of the need to significantly extend the lifetimes of weapons, and because of potential implications of environmental O-ring failure on degradation of critical internal weapon components, the authors have been working on improved methods of predicting and verifying O-ring lifetimes. In this report, they highlight the successful testing of a new predictive method for deriving more confident lifetime extrapolations. This method involves ultrasensitive oxygen consumption measurements. The m… more
Date: September 1, 1997
Creator: Gillen, K. T.; Wise, J.; Celina, M. & Clough, R. L.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Demonstration of oxygen-enriched air staging at Owens-Brockway glass containers. Quarterly technical progress report for the period August 1, 1996--October 31, 1996

Description: The objective of the program is to demonstrate the use of a previously developed combustion modification technology to reduce NO, emissions from sideport regenerative container glass melters. This technology, known as oxygen-enriched air staging (OEAS), has been demonstrated, and is now being commercialized for endport container glass furnaces. This report focuses on full furnace parametric and long-term testing.
Date: March 1, 1997
Creator: Rue, D. & Abbasi, H.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Methane coupling by membrane reactor. First quarterly report, 1997

Description: The Mn-W-Na/SiO{sub 2} catalyst was studied by running the methane coupling reactions at different methane to oxygen ratios, temperatures and dilution gas flow rates. For methane to oxygen ratios less than 3, the C{sub 2} yield was almost the same; and C{sub 2} yield began to decrease as the methane to oxygen ratio was further increased. The optimal temperature observed was around 800{degrees}C, where the C{sub 2} yield reached a maximum value. Increasing the dilution gas (helium) flow rate res… more
Date: May 1, 1997
Creator: Ma, Yi Hua
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Resonance enhanced multiphoton ionization spectra of molecules and molecular fragments. Technical report, January 1990--December 1990

Description: The objective of our effort is to carry out theoretical studies of resonance enhanced multiphoton ionization processes in molecules and molecular fragments. These studies are designed to provide a quantitatively robust analysis and prediction of key spectral features of interest in several ongoing experimental studies and applications of this technique.
Date: July 1, 1997
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Optimized Fuel Injector Design for Maximum In-Furnace N0x Reduction and Minimum Unburned Carbon

Description: Coal burners/injectors are an integral part of PC-fired facilities and their design plays a crucial role in many of the most cost-effective NO{sub x} control strategies (staged low NO{sub x} burners, reburning, or hybrid approaches such as reburning and SNCR). The effort described in this presentation/paper involves two of these techniques, low NO{sub x} burners and reburning, and focuses on the role of the solids, in particular, the impact of heterogeneous chemistry and two-phase mixing on NO{… more
Date: July 1, 1997
Creator: Harding, S.; Davis, K. & Valentine, J.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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