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Catalyst technology roadmap report

Description: This report outlines the future technology needs of the Chemical Industry in the area of catalysis and is a continuation of the process that produced the report Technology Vision 2020: The U.S. Chemical Industry and the Council for Chemical Research`s (CCR) Chemical Synthesis Team follow-up work in chemical synthesis. Vision 2020 developed a 25-year vision for the chemical industry and outlined the challenges to be addressed in order to achieve this vision. This report, which outlines the catalysis technology roadmap, is based on the output of the CCR`s Chemical Synthesis Team, plus a workshop held March -20-21, 1997, which included about 50 participants, with catalysis experts from industry, academia, and government. It is clear that all participants view catalysis as a fundamental driver to the 0274 economic and environmental viability of the chemical industry. Advances in catalytic science and technology are among the most crucial challenges to achieving the goals of the chemical industry advanced in Vision 2020.
Date: June 1, 1997
Creator: Jackson, N.B.
Partner: UNT Libraries Government Documents Department

Annual Report 1998: Chemical Structure and Dynamics

Description: The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Labo- ratory (EMSL), developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of- the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interracial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in envi- ronmental chemistry and in nuclear waste proc- essing and storage; and (3) developing state-of- the-art analytical methods for characterizing com- plex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. Our program aims at achieving a quantitative understanding of chemical reactions at interfaces and, more generally, in condensed media, compa- rable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for pre- dicting macroscopic chemical behavior in con- densed and heterogeneous media, which will add significantly to the value of field-scale envi- ronmental models, predictions of short- and long- term nuclear waste storage stabilities, and other areas related to the primary missions of the U.S. Department of Energy (DOE).
Date: May 10, 1999
Creator: Colson, SD & McDowell, RS
Partner: UNT Libraries Government Documents Department

Inductively Coupled Plasma Etching of III-V Semiconductors in BCl(3)-Based Chemistries: Part 1: GaAs, GaN, GaP, GaSb and AlGaAs

Description: BC13, with addition of Nz, Ar or Hz, is found to provide smooth anisotropic pattern transfer in GaAs, GaN, GaP, GaSb and AIGriAs under Inductively Coupled Plasma conditions, Maxima in the etch rates for these materials are observed at 33% N2 or 87$'40 Hz (by flow) addition to BC13, whereas Ar addition does not show this behavior. Maximum etch rates are typically much higher for GaAs, Gap, GaSb and AIGaAs (-1,2 @rein) than for GaN (-0.3 ymu'min) due to the higher bond energies of the iatter. The rates decrease at higher pressure, saturate with source power (ion flux) and tend to show maxima with chuck power (ion energy). The etched surfaces remain stoichiometric over abroad range of plasma conditions.
Date: December 4, 1998
Creator: Abernathy, C.R,; Han, J.; Hobson, W.S.; Hong, J.; Lambers, E.S.; Lee, J.W. et al.
Partner: UNT Libraries Government Documents Department

Catalytic Membrane Sensors

Description: The proposed "catalytic membrane sensor" (CMS) was developed to generate a device which would selectively identify a specific reagent in a complex mixture of gases. This was to be accomplished by modifying an existing Hz sensor with a series of thin films. Through selectively sieving the desired component from a complex mixture and identifying it by decomposing it into Hz (and other by-products), a Hz sensor could then be used to detect the presence of the select component. The proposed "sandwich-type" modifications involved the deposition of a catalyst layered between two size selective sol-gel layers on a Pd/Ni resistive Hz sensor. The role of the catalyst was to convert organic materials to Hz and organic by-products. The role of the membraneo was to impart both chemical specificity by molecukir sieving of the analyte and converted product streams, as well as controlling access to the underlying Pd/Ni sensor. Ultimately, an array of these CMS elements encompassing different catalysts and membranes were to be developed which would enable improved selectivity and specificity from a compiex mixture of organic gases via pattern recognition methodologies. We have successfully generated a CMS device by a series of spin-coat deposited methods; however, it was determined that the high temperature required to activate the catalyst, destroys the sensor.
Date: December 1, 1998
Creator: Boyle, T.J.; Brinker, C.J.; Gardner, T.J.; Hughes, R.C. & Sault, A.G.
Partner: UNT Libraries Government Documents Department

Cyclization Phenomena in the Sol-Gel Polymerization of a,w-Bis(triethoxysilyl)alkanes and Incorporation of the Cyclic Structures into Network Silsesquioxane Polymers

Description: Intramolecular cyclizations during acid-catalyzed, sol-gel polymerizations of ct,co- bis(tietioxysilyl)aWmes substintidly lengtien gelties formonomers witietiylene- (l), propylene- (2), and butylene-(3)-bridging groups. These cyclizations reactions were found, using mass spectrometry and %i NMR spectroscopy, to lead preferentially to monomeric and dimeric products based on six and seven membered disilsesquioxane rings. 1,2- Bis(triethoxysilyl)ethane (1) reacts under acidic conditions to give a bicyclic drier (5) that is composed of two annelated seven membered rings. Under the same conditions, 1,3- bis(triethoxysilyl)propane (2), 1,4-bis(triethoxysilyl)butane (3), and z-1,4- bis(triethoxysilyl)but-2-ene (10) undergo an intramolecular condensation reaction to give the six membemd and seven membered cyclic disilsesquioxanes 6, 7, and 11. Subsequently, these cyclic monomers slowly react to form the tricyclic dirners 8,9 and 12. With NaOH as polymerization catalyst these cyclic silsesquioxanes readily ~aeted to afford gels that were shown by CP MAS z%i NMR and infr=d spectroscopes to retain some cyclic structures. Comparison of the porosity and microstructwe of xerogels prepared from the cyclic monomers 6 and 7 with gels prepared directly from their acyclic precursors 2 and 3, indicate that the final pore structure of the xerogels is markedly dependent on the nature of the precursor. In addition, despite the fact that the monomeric cyclic disilsesquioxane species can not be isolated from 1-3 under basic conditions due to their rapid rate of gelation, spectroscopic techniques also detected the presence of the cyclic structures in the resulting polymeric gels.
Date: January 4, 1999
Creator: Alam, T.M.; Carpenter, J.P.; Dorhout, P.K.; Greaves, J.; Loy, D.A.; Shaltout, R. et al.
Partner: UNT Libraries Government Documents Department

Polymerization of the E and Z Isomers of Bis-(Triethoxysilyl)-2-Butene

Description: We have synthesized the Z and E isomers of 1,4-bis(triethoxysilyl)-2- butene and polymerized them under acid and base catalyzed sol-gel conditions. As expected the E system formed crosslinked, insoluble gels. The Z isomer, by nature of its geometry, formed high molecular weight, soluble polymeric products under acidic conditions. We were able to prepare and isolate both the cyclic disilsesquioxane monomer, and its dimer. Comparison of their spectral characterization with that of the soluble polymers suggests that the cyclics are present within the polymers. lle synthesis of a dimer likely present at some early stage of the polymerization suggests that we may be able to control the reaction and form rigid polymers with controllable tacticity. In addition, most of the gels were found to be non-porous indicating that the gels were, in fact, more compliant than ethenylene-bridged polysilsesquioxanes leading to collapse of pores during drying.
Date: May 11, 1999
Creator: Carpenter, J.P. Dorhout, K.; Loy, D.A.; Shaltout, R.M. & Shea, K.J.
Partner: UNT Libraries Government Documents Department

Experimental and theoretical studies of solvation of ions

Description: Solvents determine the outcome of many industrial chemical reactions. Sometimes small changes in the properties of the solvent system can have dramatic consequences on the economics of these processes, and a broad array of empirical analyses have been performed to evaluate solvent effects on chemical processes. Chemists at Argonne National Laboratory have adopted a very direct approach and are measuring the actual rates of salvation of large organic anions in different solvents for the first time. Chuck Jonah and Yi Lin used the Argonne linac to create the anions in an unsolvated state, and then studied the manner in which they interacted with surrounding molecules. They showed that anion salvation occurs at a much faster rate than had been predicted, and they provided a theoretical understanding of the way in which the reaction rates intimately depend upon the chemical structures of the solvents. These experiments, which provide new insight into this important aspect of chemistry, were carried out using the Argonne picosecond linac and the stroboscopic pulse radiolysis system.
Date: March 1996
Creator: Jonah, C. D. & Lin, Yi
Partner: UNT Libraries Government Documents Department

Polymer pendant crown thioethers for removal of mercury from acidic wastes

Description: Removal and immobilization of mercury ions from industrial waste streams is a difficult and expensive problem requiring an efficient and selective extractant that is resistant to corrosive conditions. We have now developed an acid-resistant thiacrown polymer that has potential utility as a selective and cost-effective Hg<sup>2+</sup> extractant. Copolymerization of a novel C-substituted thiacrown, N,N-(4-vinylbenzylmethyl)-2-aminomethyl- ,4,&l 1,14- pentathiacycloheptadecane, with DVB (80% divinylbenzene) using a radical initiator generated a highly cross-linked polymer containing pendant thiacrowns. Mercury extraction capabilities of the polymer were tested in acidic media (pH range: 1.5 to 6.2) and the extraction of Hg<sup>2+</sup> was determined to be 95<sup>+</sup>% with a mixing time of 30 minutes. The thiacrown polymer was also determined to be selective for Hg*+, competing ions such as Pb<sup>2+</sup>, Cd<sup>2+</sup>, A1<sup>3+</sup>, and Fe<sup>3+</sup>. even in the presence of high concentrations of The bound Hg<sup>2+</sup> ions can then be stripped from the polymer, allowing the polymer to be reused without significant loss of loading capacity.
Date: December 22, 1998
Creator: Baumann, T F; Fox, G A & Reynolds, J
Partner: UNT Libraries Government Documents Department

Plasma-assisted catalytic reduction of NO<sub>x</sub>

Description: Many studies suggest that lean-NO<sub>x</sub> SCR proceeds via oxidation of NO to NO¬ by oxygen, followed by the reaction of the NO¬ with hydrocarbons. On catalysts that are not very effective in catalyzing the equilibration of NO+O¬ and NO¬, the rate of N¬ formation is substantially higher when the input NO<sub>x</sub> is NO¬ instead of NO. The apparent bifunctional mechanism in the SCR of NO<sub>x</sub> has prompted the use of mechanically mixed catalyst components, in which one component is used to accelerate the oxidation of NO to NO¬, and another component catalyzes the reaction between NO¬ and the hydrocarbon. Catalysts that previously were regarded as inactive for NO<sub>x</sub> reduction could therefore become efficient when mixed with an oxidation catalyst. Preconverting NO to NO¬ opens the opportunity for a wider range of SCR catalysts and perhaps improves the durability of these catalysts. This paper describes the use of a non-thermal plasma as an efficient means for selective partial oxidation of NO to NO¬. When combined with some types of SCR catalyst, the plasma can greatly enhance the NO<sub>x</sub> reduction and eliminate some of the deficiencies encountered in an entirely catalyst-based approach. efficiency for reduction of NO<sub>x</su
Date: August 24, 1998
Creator: Voss, K; Brusasco, R M; Kung, H H; Kung, M C; Merritt, B T; Penetrante, B M et al.
Partner: UNT Libraries Government Documents Department

Growth morphology of vicinal hillocks on the (101) face of KH{sub 2}PO{sub 4}: Evidence of surface diffusion

Description: The growth morphologies of vicinal hillocks on KH{sub 2}PO{sub 4} (101) surfaces have been investigated using atomic force microscopy. Both 2D and spiral dislocation growth hillocks are observed on the same crystal surface at supersaturations of {approximately}5%. Growth occurs on monomolecular 5 {Angstrom} steps both by step-flow and through layer-by-layer growth. The distribution of islands on the terraces demonstrate that surface diffusion is an important factor during growth. Terraces that are less than the diffusion length do not contain any islands. This, together with the length scale of the inter island spacing and the denuded zones provide an estimate of the diffusion length. In situ experiments at very low supersaturation ({approximately}0.l%) show that growth is a discontinuous process due to step pinning. In addition, in situ images allow for the direct determination of the fundamental growth parameters {alpha}, the step edge energy, and {beta}, the kinetic coefficient.
Date: January 10, 1995
Creator: Land, T. A.; De Yoreo, J. J.; Lee, J. D. & Ferguson, J. R.
Partner: UNT Libraries Government Documents Department

Pathway and kinetic analysis on the iso-propyl radical + O{sub 2} reaction system

Description: We analyze the isopropyl + 02 reaction system using thermochemical Transition State Theory (TST), molecular thermodynamic properties, analysis (quantum RRK) for k(E) and modified strong collision analyze Cyclic transition states for both hydrogen transfer and concerted propylene from isopropylperoxy are calculated using semi-empirical theory in addition to transition states for H02 elimination from hydroperoxy-isopropyl. Computed rate constants are compared to constant measurements of for isopropyl + H02.
Date: April 7, 1997
Creator: Bozzelli, J. W. & Pitz, W. J.
Partner: UNT Libraries Government Documents Department

The Consequences of Surface Confinement on Free Radical Chemistry

Description: Mass transport limitations impact the thermochemical processing of fossil and renewable energy resources, which involves the breakdown of cross-linked, macromolecular networks. To Investigate the molecular level details of the consequences of molecular confinement on high temperature (275-500°C) free-radical reaction pathways, we have been examining the pyrolysis of model compounds attached to the surface of non-porous silica nanoparticles through a thermally robust Si-O-C<sub>aryl</sub>, tetha. Pyrolysis of silica-immobilized diphenylalkanes and related ethers have been studied in detail and compared with the corresponding behavior in fluid phases. The diffusional constraints can lead to reduced rates of radical termination on the surface, and enhancement of neophyl-like rearrangements, cyclization-dehydrogenation pathways, and <i>ipso-</i> aromatic substitutions. Furthermore, studies of two-component surfaces have revealed the importance of a radical relay mechanism involving rapid serial hydrogen transfer steps resulting from the molecular pre-organization on the low fractal dimension silica surface. Key findings are reviewed in this paper, and the implications of these results for fuel processing are described.
Date: August 22, 1999
Creator: Birtt, P.F. & Buchanan, A.C., III
Partner: UNT Libraries Government Documents Department

The transuranium elements: From neptunium and plutonium to element 112

Description: Beginning in the 1930`s, both chemists and physicists became interested in synthesizing new artificial elements. The first transuranium element, Np, was synthesized in 1940. Over the past six decades, 20 transuranium elements have been produced. A review of the synthesis is given. The procedure of naming the heavy elements is also discussed. It appears feasible to produce elements 113 and 114. With the Berkeley Gas-filled Separator, it should be possible to reach the superheavy elements in the region of the spherical Z=114 shell, but with fewer neutrons than the N=184 spherical shell. 57 refs, 6 figs.
Date: July 26, 1996
Creator: Hoffman, D.C.
Partner: UNT Libraries Government Documents Department

Numerical study of ethylene and acetylene laminar flame speeds

Description: Detailed chemical kinetic computations for ethylene-air and acetylene-air mixtures have been performed to simulate laminar flame speeds. Sensitivity analysis was applied to determine those reactions which strongly influence flame propagation. In ethylene-air mixtures, the C{sub 2}H{sub 3} + O{sub 2} = CH{sub 2}CHO + O reaction was one of the most sensitive reactions in the C{sub 2}H{sub 4}/C{sub 2}H{sub 3} submechanism and therefore this reaction was very important to ethylene flame propagation. This reaction was not considered in previously reported mechanisms used to model ethylene-air flame propagation. In acetylene-air mixtures, the C{sub 2}H{sub 2}+O {yields} Products, HCCO+H=CH{sub 2}(s)+CO, HCCO+O{sub 2}=CO{sub 2}+CO+H, H+C{sub 2}H{sub 2}(+M) = C{sub 2}H{sub 3}(+M) and CH{sub 2}(s)+C{sub 2}H{sub 2} = H{sub 2}CCCH+H were the most sensitive reactions in the C{sub 2}H{sub 2}/HCCO / CH{sub 2}(s) reaction set.
Date: March 1, 1995
Creator: Marinov, N.M.; Pitz, W.J. & Westbrook, C.K.
Partner: UNT Libraries Government Documents Department

Miniature chemical measurement systems

Description: Prospect of microfabricated monolithic devices that accomplish complete chemical assays is enticing. Early work with microfabricated chemical analysis devices focused on separations methods. More recently reagent manipulation has been integrated with separation devices to create more powerful capabilities. Examples of procedures, other than separations, that have been demonstrated on micromachined structures include reagent mixing, dilution, and reaction, preconcentration through sample stacking and biopolymer tagging for detection. Developments in liquid phase microfabricated chemical analysis devices are reviewed.
Date: December 31, 1996
Creator: Ramsey, J.M.
Partner: UNT Libraries Government Documents Department

ITP Filtrate Benzene Removal Alternatives

Description: Existing ITP filtrate hold tanks may provide sufficient capacity and residence time to strip dissolved benzene from the incoming filtrate using nitrogen sparging in the bottom of the old tanks. This is based on equilibrium supported by late Wash test data using aged washed slurry. Theoretical considerations indicate that benzene stripping will be more difficult from the ITP unwashed high salt filtrates due to reduced mass transfer. Therefore experimental sparging data is needed to quantify the theoretical effects.Foaming limits which dictate allowable sparging rate will also have to be established. Sparging in the hold tanks will require installation of sintered metal spargers, and possibly stirrers and foam monitoring/disengagement equipment. The most critical sparging needs are at the start of the precipitation/concentration cycle, when the filtrate flux rate is the highest,and at the end of wash cycle where Henry`s equilibrium constant falls off,requiring more gas to sparge the dissolved benzene. With adequate recycle (for proper distribution) or sparging in the old tanks, the 30 inch column could be used for the complete ITP process. A courser packing would reduce back pressure while enabling benzene stripping. The Late Wash Tests indicate adequate benzene stripping even at reduced gas flow. This will require experimental verification under ITP conditions. Using the 30 in. column vs 18 in. during the wash cycle will enhance stripping without need for additional sparging provided the minimum flow requirements are met.
Date: May 21, 1993
Creator: Dworjanyn, L.O.
Partner: UNT Libraries Government Documents Department

Development of high energy polymers systems: 6th monthly status report

Description: The major objective of the current program is the preparation of high energy hydroxyl-terminated polyester prepolymers from combinations of energetic diols and dicarboxylic acid chlorides. The initial work was based on the reactions of 4,4-dinitropimeloyl chloride (DNPCl) with 2,2,8,8-tetranitro-4,6-dioxa-1,9-nonanediol (DINOL) and 3(dinitrofluoro- ethoxy)-1,2-propanediol (REX-18). In an effort to develop a smooth and rapid polyester polymerization method, reactions between DNPCl and both DINOL and REX-18 have been carried out in THF containing pyridine. It was expected that the pyridine would act as an HCl acceptor, permitting room temperature polymerizations. This was indeed shown to be the case. In fact, when the glycol and DNPCl were dissolved in THF and pyridine added rapidly, a very exothermic reaction took place, with copious quantities of pyridine hydrochloride being precipitated. Slow addition of pyridine to the reaction mixture also resulted in an exotherm. In both cases, brown polymers were produced and they were very difficult to work-up. The next series of polymerizations will be carried out at 0{degrees}C in an effort to control the polymerizations more carefully and avoid color formation. The diacid chloride of 2-fluoro-2,2-dinitroethoxyfumaric acid has apparently been synthesized. Reactions of the acid with thionyl chloride at 50-60{degrees} for several days followed by a one-hour reflux produced a white solid. It was filtered, washed with hexane and dried in a vacuum dessicator over KOH. The powder melted at 104-106{degrees}. After it is recrystallized, it will be submitted for elemental analyses. Should it prove to be the diacid chloride, it will be reacted with DINOL and REX-18.
Date: July 9, 1969
Creator: Lawton, E.A.
Partner: UNT Libraries Government Documents Department

Separation of americium from europium by solvent extraction from aqueous phosphonate media

Description: Complexes between Am{sup 3+} or Eu{sup 3+} and phosphonoacetic acid differ in relative stability in accord with the electrostatic model of cation binding. The smaller Eu{sup 3+} cation forms stronger complexes with PAA than the larger Am{sup 3+} cation. The observed metal complexes in the acid range from 0.005 M to 0.02 M (at I= 0.5 M) are Eu(HL){sup +}, Eu(H{sub 3}L){sub 2}{sup +}, Eu(HL){sub 2}{sup {minus}} and Am(H{sub 2}L){sup 2+}, Am(HL){sup +}, Am(H{sub 2}L){sub 2}{sup +}. When used as a holdback reagent, PAA slightly enhances the separation of Am/Eu when used with sulfonic acids or CMPO/nitrate, but reduces separation efficiency with HDEHP. In a CMPO/SCN{sup {minus}} extraction system which favors extraction of Am over Eu, addition of PAA increases the separation efficiency by a factor of 2-3 at 0.3 M PAA/0.5 M SCN{sup {minus}}. The calculated stability constants can be used to explain the separation factors, but do not always accurately predict metal distribution ratios in the CMPO systems, implying that there are details of this system which have not been fully elucidated.
Date: December 31, 1994
Creator: Ensor, D.D. & Nash, K.L.
Partner: UNT Libraries Government Documents Department

Mixing quality characterization in separations process tanks

Description: An experimental study has been performed on distribution of a dilute immiscible organic liquid dispersed in an aqueous phase contained baffled, paddle-agitated vessel, fitted with cooling coils. Acceptable total liquid levels in the vessel and minimum impeller speed were established for plant scale operation. Axial and radial distributions of the dispersed organic phase as functions of total liquid height, impeller speed, and the number of impellers were examined and some recurring trends were identified. Four stages of dispersion of organic phase in predominantly aqueous phase were identified with increasing rotational speed of impeller(s). The stages were: (1) non-dispersion stage in which the organic layer was undisturbed, (2) the organic layer was decreasing with impeller speed until complete but nonuniform dispersion was attained, (3) the non-uniformity of the completely dispersed mixture decreased with increasing rotational speed of impeller(s), and (4) a grossly uniform dispersion in which the local volume fraction of dispersed phase (organic) in mixture was the same throughout the vessel. Scale-up relations were developed for reproducing a defined mixing quality on two geometrically similar scales of operation, for the attainable condition of complete but non-uniform dispersion. The mixing quality was observed to decrease with increasing liquid depth over acceptable range, but variations in the overall concentration of organic liquid appeared to have only slight effect on the mixing quality.
Date: January 31, 1995
Creator: Hassan, N.M.
Partner: UNT Libraries Government Documents Department

Denitration of Rocky Flats Ion-Exchange Resins: Recommendation of Denitration Processes, October 19, 1995

Description: Resin denitration via anion-exchange is an implementable process that can effectively mitigate the hazards associated with stored resins in which the bulk of the nitrate consists of an "exchangeable nitrate" ionically bound to the cationic sites of the anion-exchange resins. Salicylate has been selected as the exchange anion of choice because of its superior selectivity for the Rocky Flats resins and its unique potential for comprehensive recovery and recycle. This report outlines a single recommended resin denigration procedure that is reasonably independent of the resin composition and the current stored form. This procedure is not optimized but rather seeks to `over-treat' the resins so that a single procedure works for the variety of stored resins. The recommended treatment with sodium salicylate reduces resins by 95-99+% the measured exothermic behavior of the ion-exchange.
Date: December 1, 1998
Creator: Espinoza, Jacob; Barr, Mary & Smith, Wayne
Partner: UNT Libraries Government Documents Department

Compression ratio effect on methane HCCI combustion

Description: We have used the HCT (Hydrodynamics, Chemistry and Transport) chemical kinetics code to simulate HCCI (homogeneous charge compression ignition) combustion of methane-air mixtures. HCT is applied to explore the ignition timing, bum duration, NO<sub>x</sub> production, gross indicated efficiency and gross IMEP of a supercharged engine (3 atm. Intake pressure) with 14:1, 16:l and 18:1 compression ratios at 1200 rpm. HCT has been modified to incorporate the effect of heat transfer and to calculate the temperature that results from mixing the recycled exhaust with the fresh mixture. This study uses a single control volume reaction zone that varies as a function of crank angle. The ignition process is controlled by adjusting the intake equivalence ratio and the residual gas trapping (RGT). RGT is internal exhaust gas recirculation which recycles both thermal energy and combustion product species. Adjustment of equivalence ratio and RGT is accomplished by varying the timing of the exhaust valve closure in either 2-stroke or 4-stroke engines. Inlet manifold temperature is held constant at 300 K. Results show that, for each compression ratio, there is a range of operational conditions that show promise of achieving the control necessary to vary power output while keeping indicated efficiency above 50% and NO<sub>x</sub> levels below 100 ppm. HCT results are also compared with a set of recent experimental data for natural gas.
Date: September 29, 1998
Creator: Aceves, S. M.; Pitz, W.; Smith, J. R. & Westbrook, C.
Partner: UNT Libraries Government Documents Department

Characterization of Russian ballistic furnace shells, February, 1999, batch

Description: This report documents the characterization of the latest batch of shells produced in the Ballistic Furnace System at the Lebedev Physical Institute, Moscow, Russia, that we received in mid-February, 1999. The batch consisted of three cassettes containing 36 shells in each cassette. An initial sphericity measurement was done, each shell was weighed, and shells were selected that were spherical enough to run on the Sphere Mapper AFM.
Date: April 2, 1999
Creator: Fearon, E
Partner: UNT Libraries Government Documents Department

An Experimental and Kinetic Calculation of the Promotion Effect of Hydrocarbons on the NO-NO<sup>2</sup> Conversion in a Flow Reacto

Description: The main route to nitrogen dioxide (NOz) formation in combustion systems is through the oxidation of nitric oxide (NO). This process was originally invcstigafed in order to explain the high proportion of NOz found in NOx emissions from the exhaust of gas turbine engines [l]. Moreover, the understanding of the NO-NO2 conversion mechanism is relevant to a number of issues including NOz emission from unflued space heaters, development of NOx control technologies, behavior of NO/N02 in the atmosphere, formation and reduction chemistry of NOx, and the probe sampling techniques for NOx concentration measurements. Originally, the NO-NO2 conversion was thought to proceed through the rapid oxidation of NO by oxidative radicals without much attention to the effect of fuels on the conversion [2-41. Although, in later studies, it was revealed that the conversion was greatly promoted by small quantities of fuels such as hydrocarbons, Hz, CO, and methanol [S-9]. In our former experiment and model calculation of the NO-NO2 conversion in the mixing of hot combustion gas with cold air and nine different fuels [6], the results indicated that NO-NO2 conversion appeared only in the low temperature range, and showed a strong dependence on fuel type. Thus, the interaction between the NO-NO2 reactions and the oxidation reactions of the fuel in the low temperature range must be .understood in order to explain the effect of fuel type on the NO-NO2 conversion and consequently to predict the NO/NO2 emission levels from combustion systems.
Date: January 6, 1998
Creator: Hori, M; Marinov, N; Matsunaga, N; Pitz, W & Westbrook, C
Partner: UNT Libraries Government Documents Department