Mar 15, 2010... Boulder have demonstrated that a five-nucleotide-long ribozyme can ... animals anoxia anoxia biomarker permian cambrian terrestrial ...
Solid state chemistry in catalysis
Energy Technology Data Exchange (ETDEWEB)
Correlations between structural aspects of solid materials and their behavior as catalysts are relatively recent. This 20-chapter book focuses on understanding of solid-state mechanisms in heterogeneous catalysis and relationship between catalytic behavior and solid state structure, emphasizing catalysis with oxides, sulfides, and zeolites.
1985-01-01
Chemical complementation: A reaction-independent genetic assay for enzyme catalysis
UK PubMed Central (United Kingdom)
A high-throughput assay for enzyme activity has been developed that is reaction independent. In this assay, a small-molecule yeast three-hybrid system is used to link enzyme catalysis to transcription...Full Text Available
2002-12-24
Jump in the air gasification rate of potassium-doped cellulosic chars
Energy Technology Data Exchange (ETDEWEB)
Chars prepared from potassium-exchanged carboxy methyl cellulose at several heat treatment temperatures (HTTs) were gasified in air isothermally at selected gasification temperatures (GTs) in the range 633-893 K to investigate the catalytic effectiveness of potassium species. The chars displayed a noticeable jump in gasification rate at a particular gasification temperature (called jump temperature, T{sub j}). The magnitude of jump was much less than that reported for copper and nickel catalysis, but comparable with that for calcium catalysis. Increase in HTT caused a decrease in the jump temperature of chars in contrast with the increase observed in copper, nickel and calcium catalysis; also the magnitude of jump did not decrease, but remained unaltered, on increasing HTT. The different behavior of potassium catalysis is correlated to a change in the chemical state of potassium at higher HTT. The ...
2010-12-15
Research programs in coal liquefaction are briefly discussed. The following projects are addressed: coal desulfurization by bioprocessing; materials characterization study of liquefaction processes; novel approaches to catalysis in coprocessing and in direct coal liquefaction; liquefaction research in pyrolysis catalysis, and coal dissolution; enhanced reactivity and selectivity in coal liquefaction and coprocessing systems. (CBS)
1989-01-01
Energy Technology Data Exchange (ETDEWEB)
Most chemical reactions in industry and biology are catalytic and play a role at some stage of the processing of about 80% of the goods manufactured in the U.S., yet catalysis is a neglected subject in chemical education. This book integrates the fragmentary treatment accorded the topic until now. It covers, in a unified way, catalysis in solutions, by enzymes, in synthetic polymers within the molecular scale cages of zeolites and other molecular sieves, and on surfaces of inorganic solids. The central ideas are chemical; and principles are illustrated by emphasizing industrial reactions and catalysts.
1991-01-01
Developments in indirect coal liquefaction in slurry-phase and other reaction systems
This report accounts for Task 3 of DOE Contract No. AC01-81FE-05077. It reviews the developments in indirect coal liquefaction with emphasis on slurry-phase reactors and catalysis. This report also discusses topics related to indirect coal liquefaction research, such as analytical techniques in catalysis. The subjects covered in this report were selected by DOE. This report is the third and final task report of the three major tasks in this contract. The first task, ''Direct Coal Liquefaction Catalyst Development - Program Review and Research Perspectives'', was completed in November 1982. The second task, ''Review of Direct Coal Liquefaction by Slurry-Phase Catalysis'', was completed in September 1983. 47 refs., 66 figs., 50 tabs.
1984-02-01
UK PubMed Central (United Kingdom)
A structurally conserved element, the trigger loop, has been suggested to play a key role in substrate selection and catalysis of RNA polymerase II (pol II) transcription elongation. Recently resolved...Full Text Available
2010-09-07
UK PubMed Central (United Kingdom)
Edema factor (EF) and CyaA are calmodulin (CaM)-activated adenylyl cyclase exotoxins involved in the pathogenesis of anthrax and whooping cough, respectively. Using spectroscopic, enzyme kinetic and...Full Text Available
2002-12-16
UK PubMed Central (United Kingdom)
Combined QM(PM3)/MM molecular dynamics simulations together with QM(DFT)/MM optimizations for key configurations have been performed to elucidate the enzymatic catalysis mechanism on the detoxification...Full Text Available
2009-11-30
Cooperative research in coal liquefaction infratechnology and generic technology development
Energy Technology Data Exchange (ETDEWEB)
Cooperative research in coal liquefaction from Auburn University, University of Kentucky, University of Pittsburgh, West Virginia University, University of Utah, and the UK Center for Applied Energy Research, are briefly discussed. Topics covered include desulfurization, chemical reactivity, coprocessing, and catalysis. (CBS)
1989-01-01
Cooperative research in coal liquefaction
Energy Technology Data Exchange (ETDEWEB)
Significant progress was made in the May 1990--May 1991 contract period in three primary coal liquefaction research areas: catalysis, structure-reactivity studies, and novel liquefaction processes. A brief summary of the accomplishments in the past year in each of these areas is given.
1991-05-28
Energy Technology Data Exchange (ETDEWEB)
The aim of this work is to develop an industrial process for the synthesis of an extrusible electrolyte polymer for lithium batteries. From literature data and precise specifications the high molar mass EO/OP copolymers synthesis by coordinative catalysis has been studied in order to reach a high productivity and to minimize the treatment steps. Two catalytic systems have been studied: the aluminium alkoxide-based Vandenberg-type catalysis and the calcium alcoholate amides catalysis. The first catalysis performed in solution gives excellent results. Its adaptation to silicon supported catalysis leads to a directly usable polymer in suspension but the productivity falls down and remains to be optimized. The calcium amide catalysis in heptane suspension generates acceptable productivities but also a too high proportion of low molar masses. Various approaches have ...
1996-12-31
The potential use of uranium oxides and uranium-bismuth mixed oxides in catalysis
International Nuclear Information System (INIS)
The potential use of uranium in the field of catalysis is presented in the first part of this paper. Numerous applications of uranium binary oxides, as well as mixed oxides, are reviewed with a special emphasis on the role of U-Sb-O catalysts in selective oxidation (and ammoxidation) processes. Attempts are made to correlate the electronic structure of uranium, and especially the role that 5f electrons play in bonding, with its promising catalytic properties. In the second part, new data are given for uranium-bismuth mixed oxides in the catalytic oxidation of CO by O_2. Kinetic tests performed in a flow microreactor allow a mechanism to be proposed that involves the direct participation of lattice oxygen of the catalyst in the chemical process (redox mechanism). The high activity can be related to the ability of uranium to change reversibly its oxidation state. (author).
Potential use of uranium oxides and uranium-bismuth mixed oxides in catalysis
Energy Technology Data Exchange (ETDEWEB)
The potential use of uranium in the field of catalysis is presented in the first part of this paper. Numerous applications of uranium binary oxides, as well as mixed oxides, are reviewed with a special emphasis on the role of U-Sb-O catalysts in selective oxidation (and ammoxidation) processes. Attempts are made to correlate the electronic structure of uranium, and especially the role that 5f electrons play in bonding, with its promising catalytic properties. In the second part, new data are given for uranium-bismuth mixed oxides in the catalytic oxidation of CO by O/sub 2/. Kinetic tests performed in a flow microreactor allow a mechanism to be proposed that involves the direct participation of lattice oxygen of the catalyst in the chemical process (redox mechanism). The high activity can be related to the ability of uranium to change reversibly its oxidation state.
1987-07-01
Energy Technology Data Exchange (ETDEWEB)
When a shortened enzymatic version of the Tetrahymena self-splicing intervening sequence (IVS) RNA is placed under catalytic conditions and irradiated at 254 nm, a covalent cross-link forms with high efficiency. The position of the cross-link was mapped by using three independent methods: RNase H digestion, primer extension with reverse transcriptase, and partial hydrolysis of end-labeled RNA. The cross-link is chemically unusual in that it joins two adenosines, A57 and A95. Formation of this cross-link depends upon the identity and concentration of divalent cations present and upon heat-cool renaturation of the IVS in a manner that parallels conditions required for optimal catalytic activity. Furthermore, cross-linking requires the presence of sequences within the core structure, which is conserved among group I intervening sequences and necessary for catalytic activity. Together these correlations suggest that a common folded structure permits cross-linking and catalytic activity. ...
1990-06-12
UK PubMed Central (United Kingdom)
The hepatic removal of albumin-bound substances from plasma requires that they dissociate from albumin. Using indirect methods, we and others have proposed that dissociation may be catalyzed by interaction...Full Text Available
1987-04-01
Lipase catalyzed esterification of therapeutic drugs to functional self-assembled monolayers (SAMs) on 316L stainless steel (SS) after assembly has been demonstrated. SAMs of 16-mercaptohexadecanoic acid (-COOH SAM) and 11-mercapto-1-undecanol (-OH SAM) were formed on 316L SS, and lipase catalysis was used to attach therapeutic drugs, perphenazine and ibuprofen, respectively, on these SAMs. The reaction was carried out in toluene at 60 degrees C for 5 h using Novozyme-435 as the biocatalyst. The FTIR spectra after surface modification of -OH SAMs showed the presence of the C=O stretching bands at 1745 cm(-1), which was absent in the FTIR spectra of -OH SAMs. Similarly, the FTIR spectra after the reaction of the -COOH SAM with perphenazine showed two peaks in the carbonyl region, a peak at 1764 cm(-1), which is the representative peak for the C=O stretching for esters. The second peak at 1681 cm(-1) is assigned to the C=O stretching of the remaining unreacted ...
2006-01-31
Cooperative research in coal liquefaction infratechnology and generic technology development
Energy Technology Data Exchange (ETDEWEB)
Various research programs on coal liquefaction are described. Research efforts are reported from the University of Kentucky, University of Pittsburgh, West Virginia University, University of Utah, and the Center for Applied Energy Research. Research areas include depolymerization, desulfurization, coprocessing catalysis, hydrogenation, and solvent extraction. (CBS)
1989-01-01
Energy Technology Data Exchange (ETDEWEB)
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. Our approach has been to prepare supported oxides that have a specific structure and oxidation state and then employ these structures in reaction studies. Our 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. Oxide catalysis can be a complex process with both metal cation and oxygen anions participating in ...
1995-01-31
Catalysis over activated zeolites
A process is provided for conducting organic compound conversion over a catalyst composition comprising a supported crystalline zeolite having a high initial silica-to-alumina mole ratio, said supported zeolite being prepared by compositing said crystalline zeolite with alumina, reacting the composite with a particular hydrogen fluoride solution in a specified way, drying the hydrogen fluoride reacted composite, treating the dried composite by hydrolysis, ammonolysis and/or by contact with an ammonium salt solution, and calcining the resulting material.
1985-02-19
Applied Catalysis B: Environmental - Elsevier
...contributions from the following fields: Catalytic elimination of environmental pollutants, such as nitrogen oxides, carbon monoxide, sulfur compounds, chlorinated and other organic compounds, ...contributions from the following fields: Catalytic elimination of environmental pollutants, such as nitrogen oxides, carbon monoxide, sulfur compounds, chlorinated and other organic compounds, ...
Energy Technology Data Exchange (ETDEWEB)
GSTD1 is one of several insect glutathione S-transferases capable of metabolizing the insecticide DDT. Here we use crystallography and NMR to elucidate the binding of DDT and glutathione to GSTD1. The crystal structure of Drosophila melanogaster GSTD1 has been determined to 1.1 {angstrom} resolution, which reveals that the enzyme adopts the canonical GST fold but with a partially occluded active site caused by the packing of a C-terminal helix against one wall of the binding site for substrates. This helix would need to unwind or be displaced to enable catalysis. When the C-terminal helix is removed from the model of the crystal structure, DDT can be computationally docked into the active site in an orientation favoring catalysis. Two-dimensional {sup 1}H,{sup 15}N heteronuclear single-quantum coherence NMR experiments of GSTD1 indicate that conformational changes occur upon glutathione and DDT binding and the residues that broaden upon DDT ...
2010-06-14
Energy Technology Data Exchange (ETDEWEB)
In the wide range from brown coal to anthracite, an investigation was made of effects of heat treatment on physical/chemical properties and of coal rank dependence. For the experiment, 12 kinds of coal samples were used, and for heat treatment, the fluidized bed heated by the electric furnace and the infrared-ray gold image furnace were used. To examine characteristics of the heat-treated coal char, conducted were oxygen gasification, TPD measurement, XRD measurement, alkali metal measurement, and pore distribution measurement. The following were obtained from the experiment. The gasification reaction rate of the char heat-treated in the temperature range between 900{degree}C to 1700{degree}C decreases with a rise of the temperature of heat treatment, and the degree of decrease in the rate depends on coal rank. The order of gasification rate between coal ranks depends on the temperature of heat treatment, and the lower the heat treatment temperature is, the more largely the ...
1996-10-28
Coal liquefaction research. Quarterly report, July-September 1984
Energy Technology Data Exchange (ETDEWEB)
This quarterly report for the period July through September 1984 summarizes activities in Sandia National Laboratories' continuing program of coal liquefaction research. The primary goals are to: explore novel catalytic concepts and materials for conversion of coal to liquid fuels; determine the effects of process variables on catalyst deactivation; determine the effects of coal structure and solvent properties on low temperature dissolution; study the kinetics and catalysis of hydrogen transfer reactions; develop an understanding of slurry gelling phenomena; and provide a technical assessment of coal liquefaction processes. During this period, work was performed on: the rheology of Illinois No. 6 coal in hydrogenated creosote oil; dissolution chemistry of subbituminous coal; pyrite catalysis; liquefaction of Illinois No. 6 coal in indole; characterization and activity testing of catalyst samples from Wilsonville Run 246; catalyst ...
1984-11-01
Coal liquefaction research. Quarterly report, April-June 1984
Energy Technology Data Exchange (ETDEWEB)
This quarterly report for the period April through June 1984 summarizes activities in Sandia National Laboratories' continuing program of coal liquefaction research. The primary goals are to: explore novel catalytic concepts and materials for conversion of coal to liquid fuels; determine the effects of process variables on catalyst deactivation; determine the effects of coal structure and solvent properties on low temperature dissolution; study the kinetics and catalysis of hydrogen transfer reactions; develop an understanding of slurry gelling phenomena; and provide a technical assessment of coal liquefaction processes. During this period, work was performed on: analysis of catalyst samples from Wilsonville Run 246; catalyst presulfiding; catalyst activity testing using pyrene as a chemical probe; catalyst deactivation using a high-pressure model compound test reactor; dissolution chemistry of Wyodak coal; slurry gelling utilizing the helical screw ...
1984-08-01
Acid catalysis over CuY zeolites
Recently there has been considerable interest in the Cu-ZSM-5 catalysts for the selective reduction of NO by light hydrocarbons for the purpose of atmospheric pollution abatement. Isobutane and n-pentane cracking were studied over Cu zeolite catalysts and these results were compared with their HY analogues at low conversions and at temperatures of 673 K and below. Three forms of the catalysts were used: those reduced in CO at 773 K; those reduced with H[sub 2] at 473 K; and those in the oxidic form (following flushing with He at 773 K). In contrast with an earlier publication, very little difference in activity was found between the two reduced forms of the catalysts did not differ significantly from each other nor from the H-form of the zeolite. They are typical of a Bronsted acid catalysis. The oxidic form of the catalyst produced excess H[sub 2] in increasing amounts with time on stream. This could be quantitatively accounted for by the coking of the catalyst. ...
1993-06-01
A dynamic approach to selectivity in heterogeneous partial oxidation
Energy Technology Data Exchange (ETDEWEB)
Despite the rapid development of literature pertaining to fundamental (1-4) studies of oxidation catalysis, a general theory of heterogeneous selective oxidation catalysis explaining the selectivity behavior of different metal oxide systems has not yet been developed. Redox mechanisms have been widely invoked in the kinetic and mechanistic descriptions of selective oxidation reactions, suggesting a dynamic behavior of hydrocarbon and oxygen interactions with the catalyst surface. Nevertheless, most of the recent theoretical approaches of this subject matter (5-7) are essentially static in nature. Correlations are made with surface structure on the basis of crystallographic considerations with selectivity being related to the nature, number, bond-strength and nearness of oxygen atoms in the neighborhood of adsorption centers. The effect of the reaction medium on the configuration of the catalyst surface, and thus its influence on the reaction ...
1987-08-01
Alternative sources of fuel, especially for transport, continue to be of interest, as the availability of petroleum is likely to decline in the foreseeable future. Coal is a perfect alternative since it is abundant and can readily be refined to products similar to petroleum fuels. This work details the continuing research program undertaken by the European Commission, bringing together results of studies by international experts in the field. The editors have synthesized vast amounts of recent literature to produce a state-of-the-art review covering synthetic processes, single and two-stage hydrogenation processes, processing of coal with heavy oil and catalysis.
1988-01-01
Interview: Trevor Keel from the World Gold Council
British Library Electronic Table of Contents (United Kingdom)
Trevor Keel speaks to Cara Sutton, Assistant Commissioning Editor Within the World Gold Council's technology sector, Trevor Keel is responsible for a range of activities in relation to the development of new gold-based technologies. He has particular interest in the use of gold in the fields of medicine and diagnostics, catalysis and nanotechnology. Previously, Trevor was a principal chemist at GlaxoSmithKline where he was involved in numerous New Chemical Entity projects. Dr Keel has an extensive knowledge of nanotechnology, having completed a PhD in Pharmaceutical Nanotechnology at the University of Nottingham, Nottingham, UK.
2011-01-01
British Library Electronic Table of Contents (United Kingdom)
The increasing environmental concern and promotion of ''green processes'' are forcing the substitution of traditional acid and base homogeneous catalysts by solid ones. Among these heterogeneous catalysts, zeolites and zeotypes can be considered as real ''green'' catalysts, due to their benign nature from an environmental point of view. The importance of these inorganic molecular sieves within the field of heterogeneous catalysis relies not only on their microporous structure and the related shape selectivity, but also on the flexibility of their chemical composition. Modification of the zeolite framework composition results in materials with acidic, basic or redox properties, whereas multifunctional catalysts can be obtained by introducing metals by ion exchange or impregnation procedures...
2011-01-01
British Library Electronic Table of Contents (United Kingdom)
A problem of the catalytic activity definition for metals, binary metallic alloys, and semiconductor materials is considered within new quantum mechanical and electrodynamics approach in the electron theory of catalysis. The quantitative link between the electron structure parameters of the materials and their catalytic activity on example of simple model reactions of the following type are found: H = H+ + e, O2 + e- = O2-. Copyright 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009
2009-01-01
Energy Technology Data Exchange (ETDEWEB)
The Balandin type volcano plots have been considered for the main criterion both in catalysis and electrocatalysis to estimate their fundamental properties and optimal activity: ({alpha}) The ones, when some physical feature or catalytic activity itself is plotted usually along transition series, and ({beta}) The others, when catalytic activity arises as a function of some energetic property, the most usually of the adsorption enthalpy of intermediates bonding upon the substrate in the rate determining step (rds). 29 refs.
1998-07-01
Results of research programs in coal liquefaction are presented. Areas of research include: desulfurization by bioprocessing; characterization of coal liquefaction processes by XAFS spectroscopy; coprocessing of coal with heavy oil and petroleum residuals; liquefaction research in pyrolysis, catalysis and coal dissolution; novel catalysts; data base development; resource evaluation; depolymerization; solvent extraction and chromatography; correlations of liquefaction yields and coal structure. Individual projects are processed separately for the data bases. (CBS)
1988-01-01
Catalysis over activated high silica zeolites
A process is provided for conducting organic compound conversion over a catalyst composition comprising a specially treated crystalline zeolite having a high initial silica-to-alumina mole ratio, said zeolite having been synthesized from a reaction mixture comprising a diamine as a cation source. The treatment of the zeolite material comprises the sequential steps of reacting the zeolite with a dilute hydrogen fluoride solution, contacting the hydrogen fluoride solution reacted material with aluminum chloride vapor, and then treating the aluminum chloride contacted material to convert it to hydrogen form.
1985-05-07
Enzymatic catalysis in cosolvent modified pressurized organic solvents.
An important advantage of carrying out enzymatic catalysis in organic media is the increased solubility of hydrophobic substrates. This study compares a model lipase catalyzed esterification of cholesterol using vinyl acetate (VA) in two such nontraditional media: high-pressure hexane and supercritical (SCF) ethane. The effect of using one of the reactants (VA) as a cosolvent to increase the solubility of the other reactant (cholesterol) in SCF ethane has been investigated. The thermodynamic activity of water (a(w)) in the reaction media was controlled by the direct addition of the salt hydrate pair Na(4)P(2)O(7)/Na(4)P(2)O(7).10H(2)O. The a(w) of the salt hydrate system is shown to be a function of pressure and its variation over the pressure range 104-173 bar has been estimated. The initial reaction rate in pressurized hexane was found to vary linearly with the cholesterol concentration. The reaction rate was also a function of pressure-the effect being more ...
1999-11-01
Energy Technology Data Exchange (ETDEWEB)
This was a university-based research project in support of distributed reforming production technologies for hydrogen. Our objective was to examine the steam reforming of bio-ethanol and other related bio-derived liquids over non-precious metal catalyst systems to enable small-scale distributed hydrogen production technologies from renewable sources. The study targeted development of a catalytic system that does not rely on precious metals and that can be active in the 350-550 C temperature range, with high selectivity and high stability. To this end, we adopted a multi-prong research strategy, that included catalyst formulation and synthesis, detailed catalyst characterization, reaction kinetics and reaction engineering, molecular modeling and economic analysis studies. Our approach was an iterative one, where the knowledge gained in one aspect of the study was utilized to modify and fine-tune catalyst development. The research addressed many fundamental and inter-related phenomena ...
2011-03-31
Quantum simulation of molecular interaction and dynamics at surfaces
British Library Electronic Table of Contents (United Kingdom)
The interaction between molecules and solid surfaces plays important roles in various applications, including catalysis, sensors, nanoelectronics, and solar cells. Surprisingly, a full understanding of molecule-surface interaction at the quantum mechanical level has not been achieved even for very simple molecules, such as water. In this mini-review, we report recent progresses and current status of studies on interaction between representative molecules and surfaces. Taking water/metal, DNA bases/carbon nanotube, and organic dye molecule/oxide as examples, we focus on the understanding on the microstructure, electronic property, and electron-ion dynamics involved in these systems obtained from first-principles quantum mechanical calculations. We find that a quantum mechanical description ...
2011-01-01
Production of tetrazolium salts under conditions of phase-transfer catalysis
Energy Technology Data Exchange (ETDEWEB)
Recently the authors showed that tetrazolium salts can be obtained during the oxidation of substituted 1,3,5-triarylformazans with potassium permanganate in a two-phase organic solvent-water system. The role of phase-transfer catalyst in this reaction is played by the tetrazolium salt, which is formed in a small amount as the result of oxidation of the formazan at the phase boundary. The method is distinguished by its extreme simplicity. However, the yield of the tetrazolium salts fluctuates within wide limits and does not exceed 62%. This is due to the fact that as the reaction proceeds the pH of the aqueous phase increases from 6 to 12. At the same time it is known that tetrazolium salts are unstable in aqueous alkaline solutions. They found that if the aqueous phase is replaced by aqueous hydrochloric acid (5 wt. %) the yields of the tetrazolium salts (Ia-g) are increased to 70-87%. For convenience of isolation the readily water-soluble tetrazolium chlorides were converted into the ...
1988-06-20
Isotope labeling strategies for NMR studies of RNA
Energy Technology Data Exchange (ETDEWEB)
The known biological functions of RNA have expanded in recent years and now include gene regulation, maintenance of sub-cellular structure, and catalysis, in addition to propagation of genetic information. As for proteins, RNA function is tightly correlated with structure. Unlike proteins, structural information for larger, biologically functional RNAs is relatively limited. NMR signal degeneracy, relaxation problems, and a paucity of long-range {sup 1}H-{sup 1}H dipolar contacts have limited the utility of traditional NMR approaches. Selective isotope labeling, including nucleotide-specific and segmental labeling strategies, may provide the best opportunities for obtaining structural information by NMR. Here we review methods that have been developed for preparing and purifying isotopically labeled RNAs, as well as NMR strategies that have been employed for signal assignment and structure determination.
2010-01-15
British Library Electronic Table of Contents (United Kingdom)
The author analyzes conference materials, emphasizing the studies and latest developments useful for industrial heterogeneous catalysis in view of the requirements of green chemistry. Industrial catalysts is developing along a nanometer scale, so especial attention is devoted to analyzing the reports in the Nanochemistry section on the creation of nanocatalysts, the production of active phase nanoparticles, and the formation of new synthesized material properties. The catalysts developed earlier by Russian research in cooperation with Belarusian scientists are considered, and it is shown that not only are expensive nanocontacts extremely promising for industry, but the efficient and economic low-percentage new generation of nanocatalysts synthesized by wet chemistry and containing nanopart...
2010-01-01
Desulphurisation of fumes as a potential source of prime materials
Energy Technology Data Exchange (ETDEWEB)
A survey is given by the authors of methods of removing the sulphur dioxide content of fumes which can be linked together with producing useful final products. From these technologies those suppling well utilizable gypsum, the Walther process, producing ammonium sulphate, the Wellman-Lord and Bergbau-Forschung processes, respectively adapted to produce sulphuric acid or sulphur, may be of interest. Also in the method of fumes desulphurisation by catalysis by manganese, developed in KBFI, utilizable final products are given. Background of the work of developing this method. Detailed description of the manganese catalytic method based on the use of a red mud desulphurizing agent. By this process, in addition to desulphurizing fumes, enriched red mud with reduced Na/sub 2/O content is produced, which as an iron carrier, is to be reckoned with, or to be used in the cement industry for replacing imported calcined pyrites.
1986-01-01
Coal liquefaction catalysis by industrial metallic wastes
Energy Technology Data Exchange (ETDEWEB)
Catalytic activity of industrial metallic wastes in coal liquefaction was examined in a 100lb/day continuous coal processing development unit. Red mud, a waste material from the aluminium industry, and an electric furnace flue dust containing Ni, Mo, Co and Fe showed a pronounced effect on the conversion of a Kentucky bituminous coal. Coal conversion and oil production increased significantly with the addition of red mud and flue dust. Comparison of the catalytic activity of pyrite, red mud, and flue dust, based on selectivity analysis, showed that red mud was the most desirable disposable catalyst. However, if the primary goal of coal liquefaction is high oil production, irrespective of hydrogen consumption, pyrite is the most active catalyst among those discussed in the paper.
1985-01-01
Energy Technology Data Exchange (ETDEWEB)
The increasing use of quantum-chemical methods in catalysis has underscored the importance of developing and improving semiempirical approximations oriented toward calculations of the total energy and geometry, offering a means for examining intermolecular interactions. In this article a general approach is proposed, using weighting factors for certain regions of distances, i.e., introducing different parametrization into the various regions. A scheme designated MINDO/3-HB is presented as an extension of the MINDO/3 scheme to the region of hydrogen bonds and ..pi..-complexes of olefins with Broensted acid centers (BACs). Examples of cluster calculations are given for the adsorption of ammonia, pyridine, ethylene, and ethanol on the BACs of zeolites. In the example of the process of zeolite synthesis, the possibilities of the cluster approach are discussed for calculations related to the formation of catalysts.
1987-07-01
Energy Technology Data Exchange (ETDEWEB)
Following comprehensive research nanomaterials or products which were either still in a re-search/development status or are already available in the marketplace were identified for the water and air sectors. Based on life cycle assessments for two case studies, it was checked how the potential benefits and impacts on the environment for nanotechnology products or processes compare with those for conventional solutions. The first case study deals with the solar treatment of water contami-nated with tetrachloroethylene, comparing nanoscale titanium dioxide (photo-catalysis) and a photo-Fenton process. The second case study on air filtration compares a passenger car cabin-air filter with nanofibres and a conventional filter. (orig.)
2010-06-15
Energy Technology Data Exchange (ETDEWEB)
Trihydroxynaphthalene reductase catalyzes two intermediate steps in the fungal melanin biosynthetic pathway. The enzyme, a typical short-chain dehydrogenase, is the biochemical target of three commercial fungicides. The fungicides bind preferentially to the NADPH form of the enzyme. Three X-ray structures of the Magnaporthe grisea enzyme complexed with NADPH and two commercial and one experimental fungicide were determined at 1.7 {angstrom} (pyroquilon), 2.0 {angstrom} (2,3-dihydro-4-nitro-1H-inden-1-one, 1), and 2.1 {angstrom} (phthalide) resolutions. The chemically distinct inhibitors occupy similar space within the enzyme's active site. The three inhibitors share hydrogen bonds with the side chain hydroxyls of Ser-164 and Tyr-178 via a carbonyl oxygen (pyroquilon and 1) or via a carbonyl oxygen and a ring oxygen (phthalide). Active site residues occupy similar positions among the three structures. A buried water molecule that is hydrogen bonded to the NZ nitrogen of Lys-182 ...
2010-03-08
Thermodynamic and kinetic aspects of surface acidity
Our research in the general area of acid catalysis involves the characterization of solid acidity and the corresponding assessment of catalytic performance of acidic materials. Acid characterization studies are required to provide essential information about the type of acid site (i.e., Lewis versus Bronsted), the strength of the sites, and the mobility of molecules adsorbed on the acid sites. An accurate measure of acid strength is given by the heat of adsorption of a basic probe molecule on the acid site. A thermodynamic representation of the mobility of adsorbed species on these sites is given by the entropy of adsorption. Important techniques used in these acid site characterization studies include microcalorimetry, thermogravimetric measurements, temperature programmed desorption, infrared spectroscopy and solid state nuclear magnetic resonance. The combination of these acid site characterization studies with reaction kinetics measurements of selected ...
1992-01-01
Energy Technology Data Exchange (ETDEWEB)
Strong support for the existence of catalytically-active, sub-surface oxygen is proposed. The existence of two types of sub-surface oxygen was determined by thermal-desorption spectroscopy (TDS). The first is termed O{sub {beta}} and is characterized by a board thermal-desorption peak centered at approximately 773 K. The second is referred to as O{sub {gamma}} and is characterized by an unsaturated thermal desorption signal beginning at approximately 873 K. O{sub {gamma}} is assigned to oxygen which is incorporated in the uppermost layers of low-indexed terminating crystal structures such as (111) formed as a result of thermal reordering. O{sub {beta}} diffusion occurs most likely via interstitial jumping and O{sub {gamma}} via interstitialcy diffusion. Both CH{sub 4} conversion and C{sub 2} selectivity improve with time on stream. This improvement in catalytic performance correlates well with surface facetting and particle rupture, which occurs as a result of stress buildup from ...
1998-12-31
Energy Technology Data Exchange (ETDEWEB)
Sucrose phosphate synthase (SPS) catalyzes the transfer of a glycosyl group from an activated donor sugar, such as uridine diphosphate glucose (UDP-Glc), to a saccharide acceptor D-fructose 6-phosphate (F6P), resulting in the formation of UDP and D-sucrose-6'-phosphate (S6P). This is a central regulatory process in the production of sucrose in plants, cyanobacteria, and proteobacteria. Here, we report the crystal structure of SPS from the nonphotosynthetic bacterium Halothermothrix orenii and its complexes with the substrate F6P and the product S6P. SPS has two distinct Rossmann-fold domains with a large substrate binding cleft at the interdomain interface. Structures of two complexes show that both the substrate F6P and the product S6P bind to the A-domain of SPS. Based on comparative analysis of the SPS structure with other related enzymes, the donor substrate, nucleotide diphosphate glucose, binds to the B-domain of SPS. Furthermore, we propose a mechanism of ...
2008-01-01
Energy Technology Data Exchange (ETDEWEB)
Solubilization of lignite including a large amount of oxygen containing functional groups was attempted using HF/BF3, and the behavior of oxygen containing functional group, one of the important factors for coal liquefaction, was studied. In experiment, the cooled slurry of Yallourn coal specimen and solvent (toluene, isopentane) was filled into a vacuum autoclave together with HF/BF3. Reaction was performed under spontaneous pressure at 50, 100 or 150{degree}C for 3 hours. The distribution of oxygen containing functional groups in each coal specimen was determined by quantification of carboxyl group, hydroxyl group and carbonyl group. As the experimental result, the superacid mixture of HF and BF3 considerably improved the solubility of coal specimens into solvent as compared with individual HF and BF3. The solubility was 68wt% into benzene, 96% into THF and 99% (nearly 100%) into pyridine. It was suggested that production of Broensted acid with strong acidity causes strong ...
1996-10-28
New horizons of zeolite supported catalysts
International Nuclear Information System (INIS)
This paper reports on the superiority of zeolites over amorphous solids which is well documented for solid acid catalysts of industrial use. Crystalline supports, likewise, open attractive perspectives for catalysis by metals, alloys, and ligated metal clusters. Size and location of clusters can be controlled by careful design of the preparation conditions. Pore dimensions control the access of reactants to active sites and escape paths for products. Cage dimensions determine which transition states can be attained; window apertures are functional in isolating metal clusters from each other, thus preventing ther coalescence and growth. The ship-in-a-bottle method permits deisgn of fairly large active complexes entrapped in zeolite cages. Orientation of non-spherical molecules in a zeolite proe helps to direct their collision with a metal particle to the head on mode; however, isolated Pt atoms hidden in niches of the pore walls can attack passing molecules at their ...
1992-04-05
Nanoparticles and their tailoring with laser light
Energy Technology Data Exchange (ETDEWEB)
Monodisperse noble metal nanoparticles are of tremendous interest for numerous applications, such as surface-enhanced Raman spectroscopy, catalysis or biosensing. However, preparation of monodisperse metal nanoparticles is still a challenging task, because typical preparation methods yield nanoparticle ensembles with broad shape and/or size distributions. To overcome this drawback, tailoring of metal nanoparticles with laser light has been developed, which is based on the pronounced shape- and size-dependent optical properties of metal nanoparticles. I will demonstrate that nanoparticle tailoring with ns-pulsed laser light is a suitable method to prepare nanoparticle ensembles with a narrow shape and/or size distribution. While irradiation with ns-pulsed laser light during nanoparticle growth permits a precise shape tailoring, post-grown irradiation allows a size tailoring. For example, the initial broad Gaussian size distribution of silver nanoparticles on quartz ...
2009-07-15
Energy Technology Data Exchange (ETDEWEB)
In relation to coal liquefaction, the effect of inorganic minerals on liquefaction reactivity and the effect of hydrofluoric acid (HF) treatment on organic molecular structure of coals were studied by demineralization of low-rank coals in HCl or HF solution. In experiment, Taiheiyo coal specimen was deashed in HCl solution at 25-70{degree}C for 6 hours while agitating, and in addition, deashed in HF solution. Hydrogenolysis of the deashed coal specimen was conducted using tetralin or methylnaphthalene as solvent under initial hydrogen pressure of 1.96MPa at reaction temperature of 693K for 60min. The experimental results are as follows. The ash content of Taiheiyo coal hardly offers catalysis in hydrogenolysis reaction. Carboxyl group increases in demineralization of coal because of breakage of bridged bonds. Organic structure of coal changes by demineralization in dense HF solution. Change in organic structure of coal by demineralization in dense HF solution is ...
1996-10-28
Helium ion implantation in SiAlON: Characterisation of cavity structures using TEM and IBA
International Nuclear Information System (INIS)
Highly swollen nanoporous layers produced in material surfaces by He implantation are of special interest for applications such as catalysis. Here we investigate whether nanoporous layers can be produced in the covalently bonded insulating ceramic, SiAlON. The retention of highly swollen porous structures in thinned TEM sections prepared from such hard brittle materials is particularly challenging. We have successfully prepared such sections both parallel to, and perpendicular to, the implanted surface. At intermediate doses the bubble structures are very similar to those found in metals. At high helium doses local swellings at depths around the mean projected range of the He ions (#approx#360 nm) are estimated to be well in excess of 200%. Bubble structures are stable under heating to temperatures up to 1200 deg. C. It is found that the highly cavitated layer is buried below a crystalline overlayer of compact SiAlON. This overlayer is sufficiently compact to ...
2000-05-02
Heat capacity measurements of atoms and molecules adsorbed on evaporated metal films
Energy Technology Data Exchange (ETDEWEB)
Investigations of the properties of absorbed monolayers have received great experimental and theoretical attention recently, both because of the importance of surface processes in practical applications such as catalysis, and the importance of such systems to the understanding of the fundamentals of thermodynamics in two dimensions. We have adapted the composite bolometer technology to the construction of microcalorimeters. For these calorimeters, the adsorption substrate is an evaporated film deposited on one surface of an optically polished sapphire wafer. This approach has allowed us to make the first measurements of the heat capacity of submonolayer films of /sup 4/He adsorbed on metallic films. In contrast to measurements of /sup 4/He adsorbed on all other insulating substrates, we have shown that /sup 4/He on silver films occupies a two-dimensional gas phase over a broad range of coverages and temperatures. Our apparatus has been used to study the heat ...
1989-05-01
Entropy driven spontaneous formation of highly porous films from polymer-nanoparticle composites
International Nuclear Information System (INIS)
Nanoporous materials have become indispensable in many fields ranging from photonics, catalysis and semiconductor processing to biosensor infrastructure. Rapid and energy efficient process fabrication of these materials is, however, nontrivial. In this communication, we describe a simple method for the rapid fabrication of these materials from colloidal dispersions of Polymethyl Silsesquioxane nanoparticles. Nanoparticle-polymer composites above the decomposition temperature of the polymer are examined and the entropic gain experienced by the nanoparticles in this rubric is harnessed to fabricate novel highly porous films composed of nanoparticles. Optically smooth, hydrophobic films with low refractive indices (as low as 1.048) and high surface areas (as high as 1325 m2 g-1) have been achieved with this approach. In this communication we address the behavior of such systems that are both temperature and substrate surface energy dependent. The method is applicable, ...
2009-10-21
The objectives of this contract are to conduct exploratory coal liquefaction research on modified solvents with slurry phase catalysts and on coal pretreatment. This report describes a review of the existing literature as well as currently on-going research in the areas of: (1) solvent quality effects on coal liquefaction; (2) role of heteroatoms in liquefaction of coal; (3) heteroatoms removal through solvent treatment, extraction and hydrogenation; (4) slurry phase catalysts in hydroprocessing of coal; and (5) effect of coal preparation and pretreatment on liquefaction. The review encompasses both technical papers and presentations as well as the patent literature. This report is comprised of two distinct parts. In Part I all the literature available on the effect of solvent quality, heteroatoms, heteroatoms removal, and slurry phase catalysts on coal liquefaction is incorporated. The existing literature and currently on-going research in the areas of the effect of coal pretreatment ...
1983-07-01
Coal liquefaction research. Semiannual report, October 1983-March 1984
Energy Technology Data Exchange (ETDEWEB)
This semiannual report for the period October 1983-March 1984 summarizes activities in Sandia National Laboratories' continuing program of coal liquefaction research. The primary goals are to: explore novel catalytic concepts and materials for conversion of coal to liquid fuels; determine the effects of process variables on catalyst deactivation; determine the effects of coal structure and solvent properties on low temperature dissolution; study the kinetics and catalysis of hydrogen transfer reactions; develop an understanding of slurry gelling phenomena; and provide a technical assessment of coal liquefaction processes. During this period, work was performed on: the use of pyrene as a chemical probe of catalyst activity; analysis of catalysts from Wilsonville run 242 using ESCA; atmospheric pressure model compound activity testing of regenerated catalysts from Wilsonville run 242; base displacement experiments with a coal-indole complex; preliminary ...
1985-08-01
Energy Technology Data Exchange (ETDEWEB)
Components of various forest and agricultural residue biomass-including the polyphenolic compounds-were converted into aqueous solution and/or suspension by extraction and digestion. Some biomass components reacted vigorously under alkaline catalysis with formaldehyde and initially showed a high degree of exothermic reaction; however, other components did not react as vigorously under these conditions, indicating that different biomass materials require different methods to obtain optimum reactivity for the copolymerization with phenol. Our primary goal is to develop adhesives capable of producing acceptable bond quality, as determined by the wood products industries` standards, under a reasonable range of gluing conditions. Copolymer resins of phenol, formaldehyde, and biomass components were synthesized and evaluated for gluability of bonding exterior grade structural replaced with chemicals derived from peanut hulls, pecan shell flour, pecan pith, southern pine ...
1993-12-31
A laser pyrolysis technique has been used to produce ultrafine particles of iron carbide with diameters ranging from 2 to 20 nm. Catalysis using iron carbide was investigated in the liquefaction of Wyodak subbituminous coal; yields were determined. A study was carried out to examine the possibility of using an ultrasonic extraction technique as a rapid method of product work-up of samples following pretreatment or liquefaction experiments. A similar study had shown that extraction of coal-derived products by an ultrasonic method was rapid and gave yields and product distributions comparable to those obtained by Soxhlet extraction. On another project, three different types of supported catalysts were used to test activity for the combined water-gas shift hydrogenation of a synthetic donor solvent. The three catalysts tested were: (1) Alumina supported NiMo catalyst-Shell 324m; (2) Bulk hydrous TiO NiMo catalyst; (3) Thin film hydrous TiO catalyst supported on silica ...
1991-12-31
Energy Technology Data Exchange (ETDEWEB)
The rate of the oxygen-exchange reaction in an aqueous solution of a heterocyclic oxygen compound, 2,4,6-trimethylpyrylium perchlorate, was quantitated. The /sup 18/O isotope effect in /sup 13/C NMR spectroscopy affords a direct, continuous, and relatively simple analysis of the reaction and was used to obtain data on the incorporation of /sup 18/O from solvent H/sub 2//sup 18/O into the pyrylium salt. Due to the low solubility of this salt in aqueous solutions, 2,4,6-trimethyl(2-/sup 13/C)pyrylium perchlorate and 2,4,6-trimethyl(2,6-/sup 13/C/sub 2/)pyrylium perchlorate were synthesized to facilitate the acquisition of the data on an NTC-200 spectrometer operating at 50.31 MHz. Upon incorporation of /sup 18/O into the pyrylium salt, the /sup 13/C NMR signal of the directly bonded carbon atom is shifted upfield 0.038 ppm. A /sup 13/C isotope effect is also detected in the doubly /sup 13/C-enriched pyrylium salt where the /sup 13/C NMR signal for /sup 13/C-O-/sup 13/C appears 0.011 ppm ...
1984-12-12
Structure and catalysis of highly dispersed hydrodesulfurization catalysts
Energy Technology Data Exchange (ETDEWEB)
It is demonstrated that highly dispersed molybdenum sulfide catalysts are prepared by using Mo(CO){sub 6} adsorbed on the support. The structure of ultradispersed molybdenum sulfide is suggested by EXAFS techniques to be different from that of MoS{sub 2}. The TOF of the thiophene HDS is almost invariant with the dispersion of molybdenum sulfide at a high molybdenum dispersion, whereas the TOF of the hydrogenation greatly increases with increasing dispersion. On the basis of the HDS activity and optimum Co/Mo ratio of Co-Mo/Al{sub 2}O{sub 3} catalysts having a variety of molybdenum dispersion fabricated by using carbonyl complexes, it is demonstrated that highly active HDS catalysts are prepared by highly dispersing molybdenum sulfide phases. Edge decorations of molybdenum sulfides by cobalt are suggested for the synergy generation between cobalt and molybdenum sulfides. (orig.) [Deutsch] Unter Verwendung von auf dem Traeger adsorbierten Mo(CO){sub 6} lassen sich hochdispergierte ...
1994-12-01
Role of iron in dry coal hydroconversion
Energy Technology Data Exchange (ETDEWEB)
The behaviour of two different catalytic precursors based on iron (FeSO{sub 4}.7H{sub 2}O) and Fe{sub 2}O{sub 3} in direct hydroconversion of two coals are studied in this paper. Coal itself was the catalytic support of the dispersed iron sulfide (from iron sulfate); when the catalyst precursor was iron oxide (from red mud), coal and catalyst were directly mixed as powders. The reaction conditions were: 10 MPa (H{sub 2}, cold) initial pressure, 30 min, and reaction temperatures of 300, 350, 400, and 425{degree}C, reaching 450 and 500{degree}C for the high-rank coal. The results from Moessbauer spectroscopy demonstrate that pyrite in all the runs, inherent to coal or added as catalyst precursor, is converted into pyrrhotite to a variable extent according to the previous iron distribution and the iron chemical state in the catalyst precursors as well as the CS{sub 2} addition. Important chemical and physical transformations of catalysts are observed by XRD and SEM-EDX during the ...
1995-09-01
Energy Technology Data Exchange (ETDEWEB)
A zinc-air battery using zinc regeneration electrolysis with propanol oxidation as a counter electrode reaction is reported in this paper. It possesses functions of both zincate reduction and electrochemical preparation, showing the potential for increasing the electronic energy utilization. Charge/discharge tests and scanning electron microscopy (SEM) micrographs reveal that when a nickel sheet plated with the high-H{sub 2}-overpotential metal, cadmium, was used as the negative substrate electrode, the dendritic formation and hydrogen evolution are suppressed effectively, and granular zinc deposits become larger but relatively dense with the increase of charge time. The performance of batteries is favorable even if the charge time is as long as 5 h at the current density of 20 mA cm{sup -2}. Better discharge performance is achieved using a 'cavity-opening' configuration for the discharge cell rather than a 'gas-introducing' configuration. The ...
2009-03-01
Oxidation and ammoxidation of propylene to acrolein and acrylonitrile with bismuth molybdates
Energy Technology Data Exchange (ETDEWEB)
Under appropriate conditions, bismuth molybdates can catalyze a number of transformations of olefins with selective oxidation being of particular importance. Experimental evidence suggests that the propylene is activated to an allylic species by a site associated with the Bi and that the oxidation step occurs at an Mo site. In order to address the mechanistic steps associated with these Mo sites. The authors discuss the chemistry of terminal oxo and imido groups. They find that for surface sites such as 1 about, 2 about and 3 about, the presence of two double bonds leads to a much more active species than those with a single multiple bond. This leads to a situation similar to that in olefin metathesis by high oxidation state Mo catalysis where the (spectator) oxo group species promotes formation of the metallacycle intermediate by formation of a partial Mo==O triple bond that stabilizes the intermediate. Calculations suggest that the magnitude of the spectator oxo ...
1983-09-01
A simple approach to controlling the loading percentage and size of zero-valent iron nanoparticles (ZVI NPs) immobilized within polyacrylic acid (PAA)/polyvinyl alcohol (PVA) nanofibrous mats for dye remediation applications is described. A functional "nanoreactor" comprised by electrospun PAA/PVA nanofibers served to bind ferric ions with the carboxyl groups of PAA, prior to their reduction to ZVI NPs. The resulting ZVI NP-immobilized hybrid polymer nanofibers were characterized using scanning electron microscopy, transmission electron microscopy, and thermogravimetric analysis. The morphology of the polymer nanofibers exhibited no appreciable change even after eight cycles of ferric ion binding/reduction, and the loading percentage and size of the ZVI NPs were controlled simply by varying the number of ferric ion binding/reduction cycles. Dye remediation experiments revealed that the decoloration effect of ZVI NPs immobilized within the polymer nanofibers is both size- and loading ...
2011-06-01
Enhanced Activity of Nanocrystalline Zeolites for Selective Catalytic Reduction of NOx
Energy Technology Data Exchange (ETDEWEB)
Nanocrystalline zeolites with discrete crystal sizes of less than 100 nm have different properties relative to zeolites with larger crystal sizes. Nanocrystalline zeolites have improved mass transfer properties and very large internal and external surface areas that can be exploited for many different applications. The additional external surface active sites and the improved mass transfer properties of nanocrystalline zeolites offer significant advantages for selective catalytic reduction (SCR) catalysis with ammonia as a reductant in coal-fired power plants relative to current zeolite based SCR catalysts. Nanocrystalline NaY was synthesized with a crystal size of 15-20 nm and was thoroughly characterized using x-ray diffraction, electron paramagnetic resonance spectroscopy, nitrogen adsorption isotherms and Fourier Transform Infrared (FT-IR) spectroscopy. Copper ions were exchanged into nanocrystalline NaY to increase the catalytic activity. The reactions of ...
2006-12-31
Energy Conversion and Storage Program: 1992 Annual report
Energy Technology Data Exchange (ETDEWEB)
This report is the 1992 annual progress report for the Energy Conversion and Storage Program, a part of the Energy and Environment Division of the Lawrence Berkeley Laboratory. Work described falls into three broad areas: electrochemistry; chemical applications; and materials applications. The Energy Conversion and Storage Program applies principles of chemistry and materials science to solve problems in several areas: (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes and chemical species, and (5) study and application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to ...
1993-06-01
Energy Conversion and Storage Program. 1990 annual report
Energy Technology Data Exchange (ETDEWEB)
The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes, and (5) application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Topics include identification of new electrochemical couples for advanced rechargeable batteries, improvements in battery and fuel-cell materials, and the establishment of engineering principles applicable to electrochemical energy storage and ...
1992-03-01
Energy Conversion and Storage Program
Energy Technology Data Exchange (ETDEWEB)
The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes, and (5) application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Topics include identification of new electrochemical couples for advanced rechargeable batteries, improvements in battery and fuel-cell materials, and the establishment of engineering principles applicable to electrochemical energy storage and ...
1992-03-01
Catalysis on Mo(CO)/sub 6/-derived supported molybdenum catalysts: CO oxidation with N/sub 2/O
Energy Technology Data Exchange (ETDEWEB)
The catalytic nature of Mo(CO)/sub 6/ supported on ..gamma..-Al/sub 2/O/sub 3/, KOH-doped ..gamma..-Al/sub 2/O/sub 3/, and HY-zeolite was investigated in CO oxidation with N/sub 2/O in comparison with that of a conventional partially reduced MoO/sub 3//..gamma..-Al/sub 2/O/sub 3/ catalyst. Kinetic parameters of this reaction were obtained in the range 0 to 100/sup 0/C; the rate law r = kP/sub N/sub 2/O//sup 1/P/sub CO//sup 0/ was found on all catalysts, and the activation energy was estimated to be 9.1 kcal/mol on the Mo(CO)/sub 6/-derived catalysts and 7.1 kcal/mol on the partially reduced MoO/sub 3//..gamma..-Al/sub 2/O/sub 3/ catalyst. Maximum catalytic activities were obtained by activating the Mo(CO)/sub 6/-derived catalysts at 400/sup 0/C. To obtain similar activity on the MoO/sub 3//..gamma..-Al/sub 2/O/sub 3/ catalyst, it was necessary to reduce at 600/sup 0/C. The former catalysts were deactivated on repeating the reaction. On the basis of these results and those of ESR ...
1988-05-01
Energy Technology Data Exchange (ETDEWEB)
The vast majority of fundamental studies of metal oxide selective oxidation catalysts have been performed with single phase systems. These investigations established the basic tenents of the redox mechanism of selective oxidation and ammoxidation catalysis. By comparison, structural and kinetic investigations of multiphase oxide catalysts are less numerous because of the inherent difficulties in understanding the relative contributions of separate phases to the catalytic behavior of the composite catalyst. Some attempts have been made in the past to understand the complex chemistry of multiphase catalysts and additional important insights have been realized more recently. However, a clear understanding of the most significant catalytic interactions between individual phases of a multiphase multicomponent redox catalyst is still lacking. In an effort to provide an understanding and a physical basis for the observed synergism in multiphase oxide catalysts, the ...
1983-09-01
Website Policies and Important Links Comments
WorldWideScience.org is maintained by the U.S. Department of Energy's
Office of Scientific and Technical Information as the Operating Agent
for the WorldWideScience Alliance.
