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Membrane/distillation hybrid process research and development. Final report, phase II

Description: This report covers work conducted under the grant awarded to BP by DOE in late 1991 entitled {open_quotes}Membrane/Distillation Hybrid Process Research and Development.{close_quotes} The program was directed towards development and commercialization of the BP process for separation of vapor phase olefins from non-olefins via facilitated transport using an aqueous facilitator. The program has come to a very successful conclusion, with formation of a partnership between BP and Stone and Webster Engineering Corporation (SWEC) to market and commercialize the technology. The focus of this report is the final portion of the program, during which engineering re-design, facilitator optimization, economic analysis, and marketing have been the primary activities. At the end of Phase II BP was looking to partner with an engineering firm to advance the selective olefin recovery (SOR) technology from the lab/demo stage to full commercialization. In August 1995 BP and SWEC reached an agreement to advance the technology by completing additional Phase III work with DOE and beginning marketing activities.
Date: July 1, 1997
Creator: Mazanec, T.J.
Partner: UNT Libraries Government Documents Department

Heterogeneous oxidative and polymerization processes

Description: This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). We performed experiments directed at understanding novel catalysts and the use of supercritical carbon dioxide as a reaction medium for catalytic reactions. We participated in program development activities with individual companies and with trade organizations to develop research and funding strategies for catalysis on a national level. This work has helped to identify scientific and technological opportunities for catalysis research in industry and for large national initiatives such as global climate change. Our work has poised the Laboratory to participate in a spectrum of activities where catalysis science and technology will play a role.
Date: November 1, 1998
Creator: Tumas, W.; Ott, K. & Baker, R.T.
Partner: UNT Libraries Government Documents Department

Tetrahedral-Network Organo-Zincophosphates: Syntheses and Structures of (N(2)C(6)H(14)).Zn(HPO(4))(2).H(2)O, H(3)N(CH(2))(3)NH(3).Zn(2)(HPO(4))(3) and (N(2)C(6)H(14)).Zn(3)(HPO(4))(4)

Description: The solution-mediated syntheses and single crystal structures of (N<sub>2</sub>C<sub>6</sub>H<sub>14</sub>)&middot;Zn(HPO<sub>4</sub>)<sub>2</sub>&middot;H<sub>2</sub>O (I), H<sub>3</sub>N(CH<sub>2</sub>)<sub>3</sub>NH<sub>3</sub>&middot;Zn<sub>2</sub>(HPO<sub>4</sub>)<sub>3</sub> (II), and (N<sub>2</sub>C<sub>6</sub>H<sub>14</sub>)&middot;Zn<sub>3</sub>(HPO<sub>4</sub>)<sub>4</sub> (III) are described. These phases contain vertex-sharing Zn0<sub>4</sub> and HP0<sub>4</sub> tetrahedra, accompanied by doubly- protonated organic cations. Despite their formal chemical relationship, as members of the series of t&middot;Zn<sub>n</sub>(HP0<sub>4</sub>)<sub>n+1</sub> (t= template, n = 1-3), these phases adopt fimdamentally different crystal structures, as one-dimensional, two-dimensional, and three-dimensional Zn0<sub>4</sub>/HP0<sub>4</sub> networks, for I, II, and III respectively. Similarities and differences to some other zinc phosphates are briefly discussed. Crystal data: (N<sub>2</sub>C<sub>6</sub>H<sub>14</sub>)&middot;Zn(HP0<sub>4</sub>)<sub>2</sub>&middot;H<sub>2</sub>0, M<sub>r</sub> = 389.54, monoclinic, space group P2<sub>1</sub>/n (No. 14), a = 9.864 (4) &Aring;, b = 8.679 (4) &Aring;, c = 15.780 (3) &Aring;, &beta; = 106.86 (2)&deg;, V= 1294.2 (8) &Aring;<sup>3</sup>, Z = 4, R(F) = 4.58%, R<sub>W</sub>(F) = 5.28% [1055 reflections with I >3&sigma;(I)]. H<sub>3</sub>N(CH<sub>2</sub>)<sub>3</sub>NH<sub>3</sub>&middot;Zn<sub>2</sub>(HP0<sub>4</sub>)<sub>3</sub>, M<sub>r</sub> = 494.84, monoclinic, space group P2<sub>1</sub>/c (No. 14), a= 8.593 (2)&Aring;, b= 9.602 (2)&Aring;, c= 17.001 (3)&Aring;, &beta;= 93.571 (8)&deg;, V = 1400.0 (5) &Aring;<sup>3</sup>, Z = 4, R(F) = 4.09%, R<sub>W</sub>(F) = 4.81% [2794 reflections with I > 3&sigma; (I)]. (N<sub>2</sub>C<sub>6</sub>H<sub>14</sub>)&middot;Zn<sub>3</sub>(HP0<sub>4</sub>)<sub>4</sub>, M<sub>r</sub>= 694.25, monoclinic, space group P2<sub>1</sub>/n (No. 14), a = 9.535 (2) &Aring;, b = 23.246 (4)&Aring;, c= 9.587 (2)&Aring;, &beta;= 117.74 (2)&deg;, V= 1880.8 (8) &Aring;<sup>3</sup>, Z = 4, R(F) = 3.23%, R<sub>W</sub>(F) = 3.89% [4255 reflections with 1> 3&sigma;(I)].
Date: May 7, 1999
Creator: Chavez, Alejandra V.; Hannooman, Lakshitha; Harrison, William T.A. & Nenoff, Tina M.
Partner: UNT Libraries Government Documents Department

Effect on Performance of Composition of Li-Ion Carbon Anodes Derived from PMAN/DVB Copolymers

Description: The effects on electrochemical performance of the nitrogen content of disordered carbons derived from polymethacryonitrile (PMAN)-divinylbenzene (DVB) copolymers were examined in galvanostatic cycling tests between 2 V and 0.01 V vs. Li/Li+ in lM LiPF<sub>6</sub>/ethylene carbonate (EC)-dimethyl carbonate (DMC). The first-cycle reversible capacities and coulombic efficiencies increased with increase in the level of nitrogen for samples prepared at 700&deg;C. However, the degree of fade also increased. Similar tests were performed on materials that were additionally heated at 1,000&deg; and 1,300&deg;C for five hours. Loss of nitrogen, oxygen, and hydrogen occurred under these conditions, with none remaining at the highest temperature in all cases but one. The pyrolysis temperature dominated the electrochemical performance for these samples, with lower reversible and irreversible capacities for the first intercalation cycle as the pyrolysis temperature was increased. Fade was reduced and coulombic efficiencies also improved with increase in temperate. The large irreversible capacities and high fade of these materials makes them unsuitable for use in Li-ion cells.
Date: May 14, 1999
Creator: Even, William R. & Guidotti, Ronald A.
Partner: UNT Libraries Government Documents Department

High resolution photoelectron images and D{sup +} photofragment images following 532-nm photolysis of D{sub 2}

Description: The non-resonant ionization and dissociation of D{sub 2} by intense 532-nm laser light is studied by a variation of the ``Ion Imaging`` technique called ``Velocity Mapping``. Images of the both the photoelectrons and D{sup +} photofragments are obtained and analyzed at two different laser intensities. Results are compared to previous studies and several differences are discussed.
Date: January 1, 1998
Creator: Chandler, D.W.; Neyer, D.W. & Heck, A.J.
Partner: UNT Libraries Government Documents Department

Co-adsorption studies of hydrogen with nitrogen in zeolites

Description: The use of co-adsorption studies of N{sub 2} with H{sub 2} makes it possible to obtain information about adsorption of N{sub 2} by monitoring changes in the rotational spectrum of the co-adsorbed H{sub 2} molecules. The authors present such results on N{sub 2}/H{sub 2} in Na-13X. The authors have demonstrated that inelastic neutron scattering studies of H{sub 2} co-adsorbed with other molecules can be used as an effective probe of their adsorption sites and interactions with zeolite hosts. Simulation studies are clearly required for extracting the wealth of detail which is evident in these data.
Date: August 1998
Creator: Eckert, J.; Trouw, F. R. & McMenomy, M.
Partner: UNT Libraries Government Documents Department

Synthesis, scale-up, and characterization of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)

Description: We have synthesized 4OOg of the new, insensitive, energetic heterocycle, 2,6-diamino-3,5-dinitropyrazine-l-oxide (LLM-105) with 81% the energy of HMX and excellent thermal stability. The synthesis is a three step reaction sequence from the commercially available starting material, 2,6-dichloropyrazine, with an overall yield of 36%. In this paper we will describe the scale-up of the synthesis of LLM- 105 and report on performance and shock sensitivity experiments performed on this material.
Date: April 27, 1998
Creator: Pagoria, P. F.
Partner: UNT Libraries Government Documents Department

Optimization of neutron tomography for rapid hydrogen concentration inspection of metal castings

Description: Hydrogen embrittlement describes a group of phenomena leading to the degradation of metal alloy properties. The hydrogen concentration in the alloy can be used as an indicator for the onset of embrittlement. A neutron tomography system has been optimized to perform nondestructive detection of hydrogen concentration in titanium aircraft engine compressor blades. Preprocessing of back projection images and postprocessing of tomographic reconstructions are used to achieve hydrogen concentration sensitivity below 200 ppm weight. This paper emphasizes the postprocessing techniques which allow automated reporting of hydrogen concentration.
Date: February 3, 1998
Creator: Gibbons, M. R., LLNL
Partner: UNT Libraries Government Documents Department

Gas-Phase Molecular Dynamics: Vibrational Dynamics of Polyatomic Molecules

Description: The goal of this research is the understanding of elementary chemical and physical processes important in the combustion of fossil fuels. Interest centers on reactions and properties of short-lived chemical intermediates. High-resolution, high-sensitivity, laser absorption methods are augmented by high- temperature, flow-tube reaction kinetics studies with mass-spectrometic sampling. These experiments provide information on the energy levels, structures and reactivity of molecular free radical species and in turn, provide new tools for the study of energy flow and chemical bond cleavage in the radicals involved in chemical systems. The experimental work is supported by theoretical studies using time-dependent quantum wavepacket calculations, which provide insight into energy flow among the vibrational modes of polyatomic molecules and interference effects in multiple-surface dynamics.
Date: May 21, 1999
Creator: Muckerman, J.T.
Partner: UNT Libraries Government Documents Department

Gas Phase Molecular Dynamics

Description: The goal of this research is the understanding of elementary chemical and physical processes important in the combustion of fossil fuels. Interest centers on reactions involving short-lived chemical intermediates and their properties. High-resolution high-sensitivity laser absorption methods are augmented by high temperature flow-tube reaction kinetics studies with mass spectrometric sampling. These experiments provide information on the energy levels, structures and reactivity of molecular flee radical species and, in turn, provide new tools for the study of energy flow and chemical bond cleavage in the radicals in chemical systems. The experimental work is supported by theoretical and computational work using time-dependent quantum wavepacket calculations that provide insights into energy flow between the vibrational modes of the molecule.
Date: May 21, 1999
Creator: Hall, G.E.; Prrese, J.M.; Sears, T.J. & Weston, R.E.
Partner: UNT Libraries Government Documents Department

Toward a Molecular-Based Understanding of High-Temperature Solvation Phenomena in Aqueous Electrolyte Solutions

Description: The theoretical treatment of the solvation phenomenon of simple ions in aqueous solutions has been rather difficult, despite the apparent simplicity of the system. Long-range solvent-screened electrostatic interactions, coupled to the large variation (with state conditions) of the dielectric permittivity of water, give rise to a variety of rather complex solvation phenomena including dielectric saturation, electrostriction, and ion association. Notably, ion solvation in high-temperature/pressure aqueous solutions plays a leading role in hydrothermal chemistry, such as in the natural formation of ore deposits, the corrosion in boilers and reactors, and in high-temperature microbiology. Tremendous effort has been invested in the study of hydrothermal solutions to determine their thermodynamic, transport, and spectroscopic properties with the goal of elucidating the solute-solvent and solute-solute interactions over a wide range of state conditions. It is precisely at these conditions where our understanding and predictive capabilities are most precarious, in part, as a result of the coexistence of processes with two rather different length scales, i.e., short-ranged (solvation) and long-ranged (compressibility-driven) phenomena (Chialvo and Cummings 1994a). The latter feature makes hydrothermal systems extremely challenging to model, unless we are able to isolate the (compressibility-driven) propagation of the density perturbation from the (solvation-related) finite-density perturbation phenomena (Chialvo and Cummings 1995a).
Date: October 30, 1999
Creator: Chialvo, A. A.; Cummings, P. T.; Kusalik, P. G. & Simonson, J. M.
Partner: UNT Libraries Government Documents Department

The lean oxidation of iso-octane at elevated pressures

Description: Both spark-ignition and compression-ignition engines burn large molecular-weight blended fuels, a class to which the primary reference fuels (PRF), n-heptane and iso-octane belong. In this study experiments were performed using iso-octane in a high pressure flow reactor at a temperature of 925 K, at 3, 6 and 9 atm pressure and with a fuel/air equivalence ratio of approximately 0.05. Many hydrocarbon and oxygenated hydrocarbon intermediates were identified and quantified as a function of time. These experimental results provide a strin- gent test of the low temperature chemistry portion of a kinetic model as they emphasise the importance of alkyl radical addition to molecular oxygen and internal H-atom isomerization reactions relative to alkyl radical decomposition reactions. A detailed chemical kinetic mechanism is used to simulate these experiments. We provide comparisons of model predictions with experimentally measured species profiles and describe how each species is formed as predicted by the detailed model.
Date: October 30, 1998
Creator: Chen, J S; Curran, H J & Litzinger, T A
Partner: UNT Libraries Government Documents Department

INVESTIGATION ON DURABILITY AND REACTIVITY OF PROMISING METAL OXIDE SORBENTS DURING SULFIDATION AND REGENERATION

Description: The main objectives of this research project during this quarter are to investigate effects of hydrogen, moisture, concentrations of H<sub>2</sub> S, and residence time of reaction gas mixtures on equilibrium absorption as well as dynamic absorption of H<sub>2</sub> S into the TU-188 sorbent at 530 o C, and to evaluate effective diffusivity of H<sub>2</sub> S through the sorbent particles, using the newly-fabricated differential reactor.
Date: December 1, 1997
Creator: KWON, K.C.
Partner: UNT Libraries Government Documents Department

Syntheses and Structures of the Open-Framework Phases (CH(3)NH(3))(3).Zn(4)O(AsO(4))(3) and (CH(3)NH(3))(3).Zn(4)O(PO(4))(3) Related to the M(3)Zn(4)O(XO(4)(3).nH(2)O Family

Description: The solution-mediated syntheses and single crystal structures of (CH<sub>3</sub>NH<sub>3</sub>)<sub>3</sub>&middot;Zn<sub>4</sub>0(AsO<sub>4</sub>)<sub>3</sub> and (CH<sub>3</sub>NH<sub>3</sub>)<sub>3</sub>&middot;Zn<sub>4</sub>O(P0<sub>4</sub>)<sub>3</sub> are reported. These compounds are built up from vertex-sharing three-dimensional Zn0<sub>4</sub> + AsO<sub>4</sub>/P0<sub>4</sub> tetrahedral frameworks encapsulating methylammonium cations in three-dimensional channel systems. These phases are closely related to the zeolite- like M<sub>3</sub>Zn<sub>4</sub>O(XO<sub>4</sub>)<sub>3</sub>&middot;nH<sub>2</sub>O family of phases. Crystal data for (CH<sub>3</sub>NH<sub>3</sub>)<sub>3</sub>&middot;Zn<sub>4</sub>0(AsO<sub>4</sub>)<sub>3</sub>, M, = 790.47, monoclinic, space group P2<sub>1</sub> (No. 4), a = 7.814 (3)&Aring;, b = 15.498 (6)&Aring;, c = 7.815 (3) &Aring;, {beta} = 92.91 (2)0, V = 945.1 (9) &Aring;<sup>3</sup>, Z = 2, R(F) = 3.01%, R<sub>W</sub>(F) = 3.98% (2301 reflections, 236 parameters). Crystal data for (CH<sub>3</sub>NH<sub>3</sub>)<sub>3</sub>&middot;Zn<sub>4</sub>0(P0<sub>4</sub>)<sub>3</sub>: M, = 658.63, monoclinic, space group P2<sub>1</sub> (No. 4), a = 7.6569 (5) &Aring;, b = 15.241 (1)&Aring;, c= 7.6589 (5) &Aring;, {beta} = 92.740 (1)0, V= 892.7 (5) &Aring;<sup>3</sup>, Z = 2, R(F)= 8.07%, R<sub>W</sub>(F)= 9.60% (2694 reflections, 106 parameters).
Date: May 7, 1999
Creator: Chavez, Alejandra V.; Harrison, William T.A.; Nenoff, Tina M. & Phillips, Mark L.F.
Partner: UNT Libraries Government Documents Department

Novel Dodecaarylporphyrins: Synthesis and Variable Temperature NMR Studies

Description: An investigation of the synthesis of novel dodecaarylporphyrins using the Suzuki coupling reaction of arylboronic acids with octabromotetraarylporphyrins is reported. Studies of the dynamic properties of these new porphyrins using variable temperature (VT) <SUP>1</SUP>H NMR spectroscopy and molecular mechanics provide interesting insights into their dynamic properties, including the first determination of {beta} aryl rotation in a porphyrin system.
Date: May 5, 1999
Creator: Cancilla, Mark; Lebrilla, Carlito; Ma, Jian-Guo; Medforth, Craig J.; Muzzi, Cinzia M.; Shelnutt, John A. et al.
Partner: UNT Libraries Government Documents Department

Hydrous pyrolysis of pole treating chemicals: (a) initital measurement of hydrous pyrolysis rates for napthalene and pentachlorophenol; (b) solubility of flourene at temperatures up to 150{degrees}C

Description: The temperature dependencies of the hydrous pyrolysis/oxidation (HPO) aqueous phase oxidation reactions of naphthalene and pentachlorophenol have been determined for phosphate buffered systems using Dickson-type reaction vessels. The HPO experimental temperatures ranged from 114{degrees}C to 148{degrees}C for naphthalene and 114{degrees}C to 137{degrees}C for pentachlorophenol. The loss of the organic species was used to determine activation energies of 95.8 kJ/mole for naphthalene oxidation and 84.8 kJ/mole for pentachlorophenol oxidation. Aqueous concentrations of target compounds and reaction intermediates were determined by gas chromatography and compound identification was verified by gas chromatography - mass spectrometry. During the experiments the pollutants were completely mineralized, as indicated by a stoichiometric production of inorganic carbon in the case of naphthalene and inorganic carbon and chloride in the case of pentachlorophenol. HPO of pentachlorophenol produced 2,3,5,6- tetrachlorophenol as an intermediate, whereas no intermediates amenable by GC were observed during the HPO of naphthalene. Measurements of the aqueous solubility of florin in an unbuffered solution have been made covering the temperature range from 20{degrees}C to 150{degrees}C. There is very good agreement between this data set and data previously published covering the lower temperature range (20{degrees}C to 75{degrees}C). Extension of the solubility measurements to higher temperatures covers the in situ temperatures achievable during field application of HPO and demonstrated a nearly exponential rise in aqueous solubility as a function of temperature, with a 10 fold increase in aqueous florin solubility going from 75{degrees}C to 125{degrees}C and a 20 fold increase in going from 75{degrees}C to 150{degrees}C.
Date: November 15, 1997
Creator: Leif, R. N., LLNL
Partner: UNT Libraries Government Documents Department

Effect of equivalence ratio on premixed flame response to unsteady strain-rate and curvature

Description: The detailed dynamical response of flames in turbulent reacting flow involves a complex interaction between unsteady flow structures and flame chemistry. Two essential features of this interaction are the unsteady strain-rate and curvature disturbances to the reaction zone. In this work, the authors focus on a single flow length/time scale feature in two dimensions (2D), and its effect on a premixed flame for a range of mixture conditions. In particular, they study the interaction of a premixed freely propagating methane-air flame with a 2D counter-rotating vortex pair in an unbounded domain. In earlier work, they studied this flow using C{sub 1} kinetics, at stoichiometric conditions. Notable observations include the shift of the reaction zone into the products on the vortex-pair centerline, leading to depletion of H, O and OH, and the consequent general drop in reaction rates on the centerline flame segment. Curvature-induced focusing/defocusing effects were observed at the positively curved flame cusp, leading to modifications in internal transport fluxes of various species and radicals in the flame, and associated effects on H production and fuel consumption rates. These results were extended to more detailed kinetics, using other C{sub 1} and C{sub 2} mechanisms, which demonstrated the effect of choice of chemical mechanism on the observed transient flame response. The present study focuses on the dependence of the transient flame response on reactants mixture equivalence ratio. Two reactants mixture conditions are studied: case 1 is a stoichiometric conditions - equivalence ratio {Phi} = 1.0, and case 2 is rich at {Phi} = 1.2. In both cases, the reactants are 20% N{sub 2}-diluted.
Date: November 1, 1997
Creator: Najm, H.N.; Wyckoff, P.S. & Knio, O.M.
Partner: UNT Libraries Government Documents Department

Americium/Curium Melter 2A Pilot Tests

Description: Isotopes of americium (Am) and curium (Cm) were produced in the past at the Savannah River Site (SRS) for research, medical, and radiological applications. These highly radioactive and valuable isotopes have been stored in an SRS reprocessing facility for a number of years. Vitrification of this solution will allow the material to be more safely stored until it is transported to the DOE Oak Ridge Reservation for use in research and medical applications. To this end, the Am/Cm Melter 2A pilot system, a full-scale non- radioactive pilot plant of the system to be installed at the reprocessing facility, was designed, constructed and tested. The full- scale pilot system has a frit and aqueous feed delivery system, a dual zone bushing melter, and an off-gas treatment system. The main items which were tested included the dual zone bushing melter, the drain tube with dual heating and cooling zones, glass compositions, and the off-gas system which used for the first time a film cooler/lower melter plenum. Most of the process and equipment were proven to function properly, but several problems were found which will need further work. A system description and a discussion of test results will be given.
Date: May 1, 1998
Creator: Smith, M.E.; Fellinger, A.P.; Jones, T.M.; Miller, C.B.; Miller, D.H.; Snyder, T.K. et al.
Partner: UNT Libraries Government Documents Department

Flowsheet modifications for dissolution of sand, slag, and crucible residues in the F-canyon dissolvers

Description: An initial flowsheet for the dissolution of sand, slag, and crucible (SS{ampersand}C) was developed for the F- Canyon dissolvers as an alternative to dissolution in FB-Line. In that flowsheet, the sand fines were separated from the slag chunks and crucible fragments. Those two SS{ampersand}C streams were packaged separately in mild-steel cans for dissolution in the 6.4D dissolver. Nuclear safety constraints limited the dissolver charge to approximately 350 grams of plutonium in two of the three wells of the dissolver insert and required 0.23M (molar) boron as a soluble neutron poison in the 9.3M nitric acid/0.013M fluoride dissolver solution. During the first dissolution of SS{ampersand}C fines, it became apparent that a significant amount of the plutonium charged to the 6.4D dissolver did not dissolve in the time predicted by previous laboratory experiments. The extended dissolution time was attributed to fluoride complexation by boron. An extensive research and development (R{ampersand}D) program was initiated to investigate the dissolution chemistry and the physical configuration of the dissolver insert to understand what flowsheet modifications were needed to achieve a viable dissolution process.
Date: December 1, 1997
Creator: Rudisill, T.S.; Karraker, D.G. & Graham, F.R.
Partner: UNT Libraries Government Documents Department

Analysis of Copper in the In-Tank Precipitation Process Caustic Samples

Description: Inductively Coupled Plasma Emission Spectroscopy (ICPES) and Inductively Coupled Plasma Mass Spectrometry (ICPMS) procedures for measuring Cu in In-Tank Precipitation (ITP) caustic samples have been tested and implemented in the Analytical Development Section at the Savannah River Technology Center.
Date: December 12, 1996
Creator: Tovo, L.L. & Boyce, W.T.
Partner: UNT Libraries Government Documents Department

Characterization of microenvironment polarity and solvent accessibility of polysilsesquioxane xerogels by the fluorescent probe technique

Description: Poly (1, 4 bis(triethoxysilyl)benzene) (PTESB), a representative of a new type of organic-inorganic hybrid polysilsesquioxane material, was characterized by fluorescence spectroscopy for both microenvironmental polarity and solvent accessibility. A dansyl fluorescent molecule was incorporated into the bulk as well as onto the surface of both PTESB and silica materials. Information about the microenvironment polarity and accessibility of PTESB to various organic solvents was determined and compared to that of silica gel. This study found that both the bulk and surface of PTESB are less polar than that of the silica material. The silica material is accessible to polar solvents and water, while YMB is accessible to polar solvents but not to water. The hydrophobicity of PTESB differentiates these new materials from silica gel.
Date: May 1, 1995
Creator: Shea, K.J.; Zhu, H.D. & Loy, D.A.
Partner: UNT Libraries Government Documents Department

NOVEL SUPPORTED BIMETALLIC CARBIDE CATALYSTS FOR COPROCESSING OF COAL WITH WASTE MATERIALS

Description: A new family of bimetallic oxynitride compounds, M<SUB>I</SUB>-M<SUB>II</SUB>-O-N (M<SUB>I</SUB>, M<SUB>II</SUB> = Mo, W, V, Nb, Cr, Mn and Co), has been synthesized by nitriding bimetallic oxide precursors with ammonia gas via a temperature programmed reaction. The oxide precursors are prepared by conventional solid state reaction between two appropriate monometallic oxides. The synthesis involves passing NH<SUB>3</SUB> gas over the oxide precursors at a flow rate of 6.80x10<SUP>2</SUP> {micro}mol s<SUP>-1</SUP> (1000 cm<SUP>3</SUP>/min), and raising the temperature at a heating rate of 8.3x10<SUP>-2</SUP> K s<SUP>-1</SUP> (5 K/min) to a final temperature (T<SUB>f</SUB>) which is held constant for a short period of time (t<SUB>hold</SUB>). The oxynitrides thus obtained are pyrophoric and need to be passivated before exposing them to air. All these new bimetallic oxynitrides have a face centered cubic (fcc) crystal structure and high values of surface area. The surface reactivation and the thermal stability of the materials are studied by temperature programmed reduction (TPR) and this indicates that the compounds can be divided into three groups of different reducibility (high, medium, low). Their surface activity and surface area are evaluated based on CO chemisorption and N<SUB>2</SUB> physisorption measurements. It is found that the chemisorbed CO number density correlates with the reducibility of the compounds. The bimetallic catalysts were studied in hydroprocessing at realistic conditions (3.1 MPa and 643 K). Activity also correlated with reducibility of the compounds. A V-Mo composition had greater HDN conversion than a commercial Ni-Mo sulfide catalyst.
Date: November 4, 1998
Partner: UNT Libraries Government Documents Department

Effect of Palladium Form on Tetraphenylborate Decomposition Rate

Description: Palladium catalyzes the decomposition of tetraphenylborate in alkaline solutions. Researchers postulate several decomposition mechanisms that differ in the form of the palladium catalyst. Potential forms include solid and soluble, different soluble species (such as aqueous or organic soluble), and different oxidation states (i.e., 0, II, and IV). Initial tests measured the reactivity and distribution of four Pd forms in tetraphenylborate slurries.
Date: April 28, 1998
Creator: Walker, D. D.
Partner: UNT Libraries Government Documents Department