A study of the homogeneous stages in the catalytic oxidation of naphthalene, o-xylene, and benzene over a vibratory-fluidized catalyst bed

Energy Technology Data Exchange (ETDEWEB)

Korneichuk, G P; Stasevich, V P; Shaprinskaya, T M; Girushtin, G G; Gritsenko, V I; Zelenchukova, T G

1978-01-01

To identify the conditions for minimizing homogeneous states, the reaction kinetics were studied in a vibrating gradientless quartz reactor both in the presence and absence of the catalyst. A tenfold decrease of the reactional space in the absence of catalyst inhibited the oxidation (e.g., from a 68% conversion to 10% at 500/sup 0/C for o-xylene, and from 100% to 2% at 580/sup 0/C for benzene), whereas increasing the surface-volume ratio of the reactor increased the oxidation rate for benzene, which indicated that noncatalytic oxidation follows a radical-chain mechanism and involves both homogeneous (mainly) and heterogeneous stages. Catalytic oxidation carried out in a small volume (to avoid the homogeneous states) followed a heterogeneous mechanism up to 580/sup 0/C for naphthalene and o-xylene, and up to 550/sup 0/C for benzene. At higher temperatures, however, volume oxidation of benzene to carbon oxides was detected, which was favored by intense reactor vibration (i.e., increasing free space between catalyst grains), constituted 27% at 564/sup 0/C and 40% at 584/sup 0/C, and probably followed a heterogeneous-homogeneous mechanism. The partial oxidation products (i.e., phthalic and (for benzene) maleic anhydride) formed entirely by a heterogeneous mechanism. Tables and graphs.

Recovery of homogeneous polyoxometallate catalysts from aqueous and organic media by a mesoporous ceramic membrane without loss of catalytic activity.

Science.gov (United States)

Roy Chowdhury, Sankhanilay; Witte, Peter T; Blank, Dave H A; Alsters, Paul L; Ten Elshof, Johan E

2006-04-03

The recovery of homogeneous polyoxometallate (POM) oxidation catalysts from aqueous and non-aqueous media by a nanofiltration process using mesoporous gamma-alumina membranes is reported. The recovery of Q(12)[WZn(3)(ZnW(9)O(34))(2)] (Q=[MeN(n-C(8)H(17))(3)](+)) from toluene-based media was quantitative within experimental error, while up to 97 % of Na(12)[WZn(3)(ZnW(9)O(34))(2)] could be recovered from water. The toluene-soluble POM catalyst was used repeatedly in the conversion of cyclooctene to cyclooctene oxide and separated from the product mixture after each reaction. The catalytic activity increased steadily with the number of times that the catalyst had been recycled, which was attributed to partial removal of the excess QCl that is known to have a negative influence on the catalytic activity. Differences in the permeability of the membrane for different liquid media can be attributed to viscosity differences and/or capillary condensation effects. The influence of membrane pore radius on permeability and recovery is discussed.

Mammalian α-polymerase: cloning of partial complementary DNA and immunobinding of catalytic subunit in crude homogenate protein blots

International Nuclear Information System (INIS)

SenGupta, D.N.; Kumar, P.; Zmudzka, B.Z.; Coughlin, S.; Vishwanatha, J.K.; Robey, F.A.; Parrott, C.; Wilson, S.H.

1987-01-01

A new polyclonal antibody against the α-polymerase catalytic polypeptide was prepared by using homogeneous HeLa cellα-polymerase. The antibody neutralized α-polymerase activity and was strong and specific for the α-polymerase catalytic polypeptide (M/sub r/ 183,000) in Western blot analysis of crude extracts of HeLa cells. The antibody was used to screen a cDNA library of newborn rat brain poly(A+) RNA in λgt11. A positive phage was identified and plaque purified. This phage, designated λpolα1.2, also was found to be positive with an antibody against Drosophila α-polymerase. The insert in λpolα1.2 (1183 base pairs) contained a poly(A) sequence at the 3' terminus and a short in-phase open reading frame at the 5' terminus. A synthetic oligopeptide (eight amino acids) corresponding to the open reading frame was used to raise antiserum in rabbits. Antibody affinity purified from this serum was found to be immunoreactive against purified α-polymerase by enzyme-linked immunosorbent assay and was capable of immunoprecipitating α-polymerase. This indicated the λpolα1.2 insert encoded an α-polymerase epitope and suggested that the cDNA corresponded to an α-polymerase mRNA. This was confirmed in hybrid selection experiments using pUC9 containing the cDNA insert and poly(A+) RNA from newborn rat brain; the insert hybridized to mRNA capable of encoding α-polymerase catalytic polypeptides. Northern blot analysis of rat brain poly(A+) RNA revealed that this mRNA is ∼5.4 kilobases

Bridging heterogeneous and homogeneous catalysis concepts, strategies, and applications

CERN Document Server

Li, Can

2014-01-01

This unique handbook fills the gap in the market for an up-to-date work that links both homogeneous catalysis applied to organic reactions and catalytic reactions on surfaces of heterogeneous catalysts.

Novel Catalytic Membrane Reactors

Energy Technology Data Exchange (ETDEWEB)

Stuart Nemser, PhD

2010-10-01

There are many industrial catalytic organic reversible reactions with amines or alcohols that have water as one of the products. Many of these reactions are homogeneously catalyzed. In all cases removal of water facilitates the reaction and produces more of the desired chemical product. By shifting the reaction to right we produce more chemical product with little or no additional capital investment. Many of these reactions can also relate to bioprocesses. Given the large number of water-organic compound separations achievable and the ability of the Compact Membrane Systems, Inc. (CMS) perfluoro membranes to withstand these harsh operating conditions, this is an ideal demonstration system for the water-of-reaction removal using a membrane reactor. Enhanced reaction synthesis is consistent with the DOE objective to lower the energy intensity of U.S. industry 25% by 2017 in accord with the Energy Policy Act of 2005 and to improve the United States manufacturing competitiveness. The objective of this program is to develop the platform technology for enhancing homogeneous catalytic chemical syntheses.

Recent Advances in the Application of Magnetic Nanoparticles as a Support for Homogeneous Catalysts

Science.gov (United States)

Govan, Joseph; Gun’ko, Yurii K.

2014-01-01

Magnetic nanoparticles are a highly valuable substrate for the attachment of homogeneous inorganic and organic containing catalysts. This review deals with the very recent main advances in the development of various nanocatalytic systems by the immobilisation of homogeneous catalysts onto magnetic nanoparticles. We discuss magnetic core shell nanostructures (e.g., silica or polymer coated magnetic nanoparticles) as substrates for catalyst immobilisation. Then we consider magnetic nanoparticles bound to inorganic catalytic mesoporous structures as well as metal organic frameworks. Binding of catalytically active small organic molecules and polymers are also reviewed. After that we briefly deliberate on the binding of enzymes to magnetic nanocomposites and the corresponding enzymatic catalysis. Finally, we draw conclusions and present a future outlook for the further development of new catalytic systems which are immobilised onto magnetic nanoparticles. PMID:28344220

Kinetic equation of heterogeneous catalytic isotope exchange

Energy Technology Data Exchange (ETDEWEB)

Trokhimets, A I [AN Belorusskoj SSR, Minsk. Inst. Fiziko-Organicheskoj Khimii

1979-12-01

A kinetic equation is derived for the bimolecular isotope exchange reaction between AXsub(n)sup(*) and BXsub(m)sup(o), all atoms of element X in each molecule being equivalent. The equation can be generalized for homogeneous and heterogeneous catalytic isotope exchange.

Heterogenization of Homogeneous Catalysts: the Effect of the Support

Energy Technology Data Exchange (ETDEWEB)

Earl, W.L.; Ott, K.C.; Hall, K.A.; de Rege, F.M.; Morita, D.K.; Tumas, W.; Brown, G.H.; Broene, R.D.

1999-06-29

We have studied the influence of placing a soluble, homogeneous catalyst onto a solid support. We determined that such a 'heterogenized' homogeneous catalyst can have improved activity and selectivity for the asymmetric hydrogenation of enamides to amino acid derivatives. The route of heterogenization of RhDuPhos(COD){sup +} cations occurs via electrostatic interactions with anions that are capable of strong hydrogen bonding to silica surfaces. This is a novel approach to supported catalysis. Supported RhDuPhos(COD){sup +} is a recyclable, non-leaching catalyst in non-polar media. This is one of the few heterogenized catalysts that exhibits improved catalytic performance as compared to its homogeneous analog.

Catalytic ozonation of fenofibric acid over alumina-supported manganese oxide

Energy Technology Data Exchange (ETDEWEB)

Rosal, Roberto, E-mail: roberto.rosal@uah.es [Departamento de Quimica Analitica e Ingenieria Quimica, Universidad de Alcala, E-28771 Alcala de Henares (Spain); Gonzalo, Maria S.; Rodriguez, Antonio; Garcia-Calvo, Eloy [Departamento de Quimica Analitica e Ingenieria Quimica, Universidad de Alcala, E-28771 Alcala de Henares (Spain)

2010-11-15

The catalytic ozonation of fenofibric acid was studied using activated alumina and alumina-supported manganese oxide in a semicontinuous reactor. The rate constants at 20 deg. C for the non-catalytic reaction of fenofibric acid with ozone and hydroxyl radicals were 3.43 {+-} 0.20 M{sup -1} s{sup -1} and (6.55 {+-} 0.33) x 10{sup 9} M{sup -1} s{sup -1}, respectively. The kinetic constant for the catalytic reaction between fenofibric acid and hydroxyl radicals did not differ significantly from that of homogeneous ozonation, either using Al{sub 2}O{sub 3} or MnO{sub x}/Al{sub 2}O{sub 3}. The results showed a considerable increase in the generation of hydroxyl radicals due to the use of catalysts even in the case of catalytic runs performed using a real wastewater matrix. Both catalysts promoted the decomposition of ozone in homogeneous phase, but the higher production of hydroxyl radicals corresponded to the catalyst with more activity in terms of ozone decomposition. We did not find evidence of the catalysts having any effect on rate constants, which suggests that the reaction may not involve the adsorption of organics on catalyst surface.

Lipid peroxidation in liver homogenates. Effects of membrane lipid composition and irradiation

International Nuclear Information System (INIS)

Vaca, C.; Ringdahl, M.H.

1984-01-01

The rate of lipid peroxidation has been followed in whole liver homogenates from mice using the TBA-method. Liver homogenates with different membrane fatty acid composition were obtained from mice fed diets containing different sources of fat i.e. sunflower seed oil (S), coconut oil (C) and hydrogenated lard (L). The yields of the TBA-chromophore (TBA-c) were 4 times higher in the liver homogenates S compared to C and L after 4 hour incubation at 37 0 C. Irradiation of the liver homogenates before incubation inhibited the formation of lipid peroxidation products in a dose dependent way. The catalytic capacity of the homogenates was investigated, followed as the autooxidation of cysteamine or modified by addition of the metal chelator EDTA. The rate of autooxidation of cysteamine, which is dependent on the presence of metal ions (Fe/sup 2+/ or Cu/sup 2+/), was decreased with increasing dose, thus indicating an alteration in the availability of metal catalysts in the system. The addition of Fe/sup 2+/ to the system restored the lipid peroxidation yields in the irradiated systems and the presence of EDTA inhibited the formation of lipid peroxidation products in all three dietary groups. It is suggested that irradiation alters the catalytic activity needed in the autooxidation processes of polyunsaturated fatty acids

Catalytically stabilized combustion of lean methane-air-mixtures: a numerical model

Energy Technology Data Exchange (ETDEWEB)

Dogwiler, U; Benz, P; Mantharas, I [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1997-06-01

The catalytically stabilized combustion of lean methane/air mixtures has been studied numerically under conditions closely resembling the ones prevailing in technical devices. A detailed numerical model has been developed for a laminar, stationary, 2-D channel flow with full heterogeneous and homogeneous reaction mechanisms. The computations provide direct information on the coupling between heterogeneous-homogeneous combustion and in particular on the means of homogeneous ignitions and stabilization. (author) 4 figs., 3 refs.

Quantum catalysis : the modelling of catalytic transition states

NARCIS (Netherlands)

Hall, M.B.; Margl, P.; Naray-Szabo, G.; Schramm, Vern; Truhlar, D.G.; Santen, van R.A.; Warshel, A.; Whitten, J.L.; Truhlar, D.G.; Morokuma, K.

1999-01-01

A review with 101 refs.; we present an introduction to the computational modeling of transition states for catalytic reactions. We consider both homogeneous catalysis and heterogeneous catalysis, including organometallic catalysts, enzymes, zeolites and metal oxides, and metal surfaces. We summarize

Solar fuels generation and molecular systems: is it homogeneous or heterogeneous catalysis?

Science.gov (United States)

Artero, Vincent; Fontecave, Marc

2013-03-21

Catalysis is a key enabling technology for solar fuel generation. A number of catalytic systems, either molecular/homogeneous or solid/heterogeneous, have been developed during the last few decades for both the reductive and oxidative multi-electron reactions required for fuel production from water or CO(2) as renewable raw materials. While allowing for a fine tuning of the catalytic properties through ligand design, molecular approaches are frequently criticized because of the inherent fragility of the resulting catalysts, when exposed to extreme redox potentials. In a number of cases, it has been clearly established that the true catalytic species is heterogeneous in nature, arising from the transformation of the initial molecular species, which should rather be considered as a pre-catalyst. Whether such a situation is general or not is a matter of debate in the community. In this review, covering water oxidation and reduction catalysts, involving noble and non-noble metal ions, we limit our discussion to the cases in which this issue has been directly and properly addressed as well as those requiring more confirmation. The methodologies proposed for discriminating homogeneous and heterogeneous catalysis are inspired in part by those previously discussed by Finke in the case of homogeneous hydrogenation reaction in organometallic chemistry [J. A. Widegren and R. G. Finke, J. Mol. Catal. A, 2003, 198, 317-341].

Development of Molecular Catalysts to Bridge the Gap between Heterogeneous and Homogeneous Catalysts

Science.gov (United States)

Ye, Rong

Catalysts, heterogeneous, homogeneous, and enzymatic, are comprised of nanometer-sized inorganic and/or organic components. They share molecular factors including charge, coordination, interatomic distance, bonding, and orientation of catalytically active atoms. By controlling the governing catalytic components and molecular factors, catalytic processes of a multichannel and multiproduct nature could be run in all three catalytic platforms to create unique end-products. Unifying the fields of catalysis is the key to achieving the goal of 100% selectivity in catalysis. Recyclable catalysts, especially those that display selective reactivity, are vital for the development of sustainable chemical processes. Among available catalyst platforms, heterogeneous catalysts are particularly well-disposed toward separation from the reaction mixture via filtration methods, which renders them readily recyclable. Furthermore, heterogeneous catalysts offer numerous handles - some without homogeneous analogues - for performance and selectivity optimization. These handles include nanoparticle size, pore profile of porous supports, surface ligands and interface with oxide supports, and flow rate through a solid catalyst bed. Despite these available handles, however, conventional heterogeneous catalysts are themselves often structurally heterogeneous compared to homogeneous catalysts, which complicates efforts to optimize and expand the scope of their reactivity and selectivity. Ongoing efforts are aimed to address the above challenge by heterogenizing homogeneous catalysts, which can be defined as the modification of homogeneous catalysts to render them in a separable (solid) phase from the starting materials and products. Specifically, we grow the small nanoclusters in dendrimers, a class of uniform polymers with the connectivity of fractal trees and generally radial symmetry. Thanks to their dense multivalency, shape persistence and structural uniformity, dendrimers have proven to

Synthesis of unlabelled, 3H- and 125I-labelled β-CIT and its ω-fluoroalkyl analogues β-CIT-FE and β-CIT-FP, including synthesis of precursors

International Nuclear Information System (INIS)

Swahn, C.-G.; Halldin, Christer; Guenther, Ilonka; Patt, Joerg; Ametamey, Simon

1996-01-01

The full synthesis of the cocaine congener 2β-carbomethoxy-3β-(4-iodophenyl)tropane β-CIT) and its N-fluoroalkyl analogues, fluoroethyl- and fluoropropyl-nor-β-CIT (β-CIT-FE and β-CIT-FP) starting from cocaine is described. The synthetic routes include the preparation of precursors for labelling with radionuclides such as 11 C, 18 F, 76 Br, 123 I, 125 I and 3 H. Here we also report the labelling with 125 I or 3 H for use in autoradiographic examination of human brain sections. (author)

Catalytic pyrolysis of hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Vail' eva, N A; Buyanov, R A

1979-01-01

Catalytic pyrolysis of petroleum fractions (undecane) was performed with the object of clarifying such questions as the mechanism of action of the catalyst, the concepts of activity and selectivity of the catalyst, the role of transport processes, the temperature ranges and limitations of the catalytic process, the effect of the catalyst on secondary processes, and others. Catalysts such as quartz, MgO, Al/sub 2/O/sub 3/, were used. Analysis of the experimental findings and the fact that the distribution of products is independent of the nature of the surface, demonstrate that the pyrolysis of hydrocarbons in the presence of catalysts is based on the heterogeneous-homogeneous radical-chain mechanism of action, and that the role of the catalysts reduces to increasing the concentration of free radicals. The concept of selectivity cannot be applied to catalysts here, since they do not affect the mechanism of the unfolding of the process of pyrolysis and their role consists solely in initiating the process. In catalytic pyrolysis the concepts of kinetic and diffusive domains of unfolding of the catalytic reaction do not apply, and only the outer surface of the catalyst is engaged, whereas the inner surface merely promotes deletorious secondary processes reducing the selectivity of the process and the activity of the catalyst. 6 references, 2 figures.

Hydrogen storage materials and method of making by dry homogenation

Science.gov (United States)

Jensen, Craig M.; Zidan, Ragaiy A.

2002-01-01

Dry homogenized metal hydrides, in particular aluminum hydride compounds, as a material for reversible hydrogen storage is provided. The reversible hydrogen storage material comprises a dry homogenized material having transition metal catalytic sites on a metal aluminum hydride compound, or mixtures of metal aluminum hydride compounds. A method of making such reversible hydrogen storage materials by dry doping is also provided and comprises the steps of dry homogenizing metal hydrides by mechanical mixing, such as be crushing or ball milling a powder, of a metal aluminum hydride with a transition metal catalyst. In another aspect of the invention, a method of powering a vehicle apparatus with the reversible hydrogen storage material is provided.

Reaction-transport simulations of non-oxidative methane conversion with continuous hydrogen removal: Homogeneous-heterogeneous methane reaction pathways

International Nuclear Information System (INIS)

Li, Lin; Borry, Richard W.; Iglesia, Enrique

2000-01-01

Detailed kinetic-transport models were used to explore thermodynamic and kinetic barriers in the non-oxidative conversion of CH4 via homogeneous and homogeneous-heterogeneous pathways and the effects of continuous hydrogen removal and of catalytic sites on attainable yields of useful C2-C10 products. The homogeneous kinetic model combines separately developed models for low-conversion pyrolysis and for chain growth to form large aromatics and carbon. The H2 formed in the reaction decreases CH4 pyrolysis rates and equilibrium conversions and it favors the formation of lighter products. The removal of H2 along tubular reactors with permeable walls increases reaction rates and equilibrium CH4 conversions. C2-C10 yields reach values greater than 90 percent at intermediate values of dimensionless transport rates (delta=1-10), defined as the ratio hydrogen transport and methane conversion rates. Homogeneous reactions require impractical residence times, even with H2 removal, because of slow initiation and chain transfer rates. The introduction of heterogeneous chain initiation pathways using surface sites that form methyl radicals eliminates the induction period without influencing the homogeneous product distribution. Methane conversion, however, occurs predominately in the chain transfer regime, within which individual transfer steps and the formation of C2 intermediates become limited by thermodynamic constraints. Catalytic sites alone cannot overcome these constraints. Catalytic membrane reactors with continuous H2 removal remove these thermodynamic obstacles and decrease the required residence time. Reaction rates become limited by homogeneous reactions of C2 products to form C6+ aromatics. Higher delta values lead to subsequent conversion of the desired C2-C10 products to larger polynuclear aromatics. We conclude that catalytic methane pyrolysis at the low temperatures required for restricted chain growth and the elimination of thermodynamics constraints via

Mitoxantrone removal by electrochemical method: A comparison of homogenous and heterogenous catalytic reactions

Directory of Open Access Journals (Sweden)

Abbas Jafarizad

2017-08-01

Full Text Available Background: Mitoxantrone (MXT is a drug for cancer therapy and a hazardous pharmaceutical to the environment which must be removed from contaminated waste streams. In this work, the removal of MXT by the electro-Fenton process over heterogeneous and homogenous catalysts is reported. Methods: The effects of the operational conditions (reaction medium pH, catalyst concentration and utilized current intensity were studied. The applied electrodes were carbon cloth (CC without any processing (homogenous process, graphene oxide (GO coated carbon cloth (GO/CC (homogenous process and Fe3O4@GO nanocomposite coated carbon cloth (Fe3O4@GO/CC (heterogeneous process. The characteristic properties of the electrodes were determined by atomic force microscopy (AFM, field emission scanning electron microscopy (FE-SEM and cathode polarization. MXT concentrations were determined by using ultraviolet-visible (UV-Vis spectrophotometer. Results: In a homogenous reaction, the high concentration of Fe catalyst (>0.2 mM decreased the MXT degradation rate. The results showed that the Fe3O4@GO/CC electrode included the most contact surface. The optimum operational conditions were pH 3.0 and current intensity of 450 mA which resulted in the highest removal efficiency (96.9% over Fe3O4@GO/CC electrode in the heterogeneous process compared with the other two electrodes in a homogenous process. The kinetics of the MXT degradation was obtained as a pseudo-first order reaction. Conclusion: The results confirmed the high potential of the developed method to purify contaminated wastewaters by MXT.

Decomposition of ammonium nitrate in homogeneous and catalytic denitration

International Nuclear Information System (INIS)

Anan'ev, A. V.; Tananaev, I. G.; Shilov, V. P.

2005-01-01

Ammonium nitrate is one of potentially explosive by-products of spent fuel reprocessing. Decomposition of ammonium nitrate in the HNO 3 -HCOOH system was studied in the presence or absence of Pt/SiO 2 catalyst. It was found that decomposition of ammonium nitrate is due to homogeneous noncatalytic oxidation of ammonium ion with nitrous acid generated in the HNO 3 -HCOOH system during denitration. The platinum catalyst initiates the reaction of HNO 3 with HCOOH to form HNO 2 . The regular trends were revealed and the optimal conditions of decomposition of ammonium nitrate in nitric acid solutions were found [ru

Synthesis of mesoporous TiO(2-x)N(x) spheres by template free homogeneous co-precipitation method and their photo-catalytic activity under visible light illumination.

Science.gov (United States)

Parida, K M; Naik, Brundabana

2009-05-01

The article presents preparation, characterization and catalytic activity evaluation of an efficient nitrogen doped mesoporous titania sphere photo-catalyst for degradation of methylene blue (MB) and methyl orange (MO) under visible light illumination. Nitrogen doped titania was prepared by soft chemical route i.e. template free, slow and controlled homogeneous co-precipitation from titanium oxysulfate sulfuric acid complex hydrate, urea, ethanol and water. The molar composition of TiOSO(4) to urea was varied to prepare different atomic % nitrogen doped titania. Mesoporous anatase TiO(2-x)N(x) spheres with average crystallite size of 10 nm and formation of titanium oxynitride center were confirmed from HRTEM, XRD and XPS study. UV-vis DRS showed a strong absorption in the range of 400-500 nm which supports its use in visible spectrum of light. Nitrogen adsorption-desorption study supports the porous nature of the doped material. All the TiO(2-x)N(x) samples showed higher photo-catalytic activity than Degussa P(25) and undoped mesoporous titania. Sample containing around one atomic % nitrogen showed highest activity among the TiO(2-x)N(x) samples.

Catalytic Organometallic Reactions of Ammonia

Science.gov (United States)

Klinkenberg, Jessica L.

2012-01-01

Until recently, ammonia had rarely succumbed to catalytic transformations with homogeneous catalysts, and the development of such reactions that are selective for the formation of single products under mild conditions has encountered numerous challenges. However, recently developed catalysts have allowed several classes of reactions to create products with nitrogen-containing functional groups from ammonia. These reactions include hydroaminomethylation, reductive amination, alkylation, allylic substitution, hydroamination, and cross-coupling. This Minireview describes examples of these processes and the factors that control catalyst activity and selectivity. PMID:20857466

Catalytic Hydrogenation of Acetone to Isopropanol: An Environmentally Benign Approach

Directory of Open Access Journals (Sweden)

Ateeq Rahman

2011-01-01

Full Text Available The catalytic hydrogenation of acetone is an important area of catalytic process to produce fine chemicals. Hydrogenation of acetone has important applications for heat pumps, fuel cells or in fulfilling the sizeable demand for the production of 2-propanol. Catalytic vapour phase hydrogenation of acetone has gained attention over the decades with variety of homogeneous catalysts notably Iridium, Rh, Ru complexes and heterogeneous catalysts comprising of Raney Nickel, Raney Sponge, Ni/Al2O3, Ni/SiO2, or Co-Al2O3, Pd, Rh, Ru, Re, or Fe/Al2O3 supported on SiO2 or MgO and even CoMgAl, NiMg Al layered double hydroxide, Cu metal, CuO, Cu2O. Nano catalysts are developed for actone reduction Ni maleate, cobalt oxide prepared in organic solvents. Author present a review on acetone hydrogenation under different conditions with various homogeneous and heterogeneous catalysts studied so far in literature and new strategies to develop economic and environmentally benign approach. ©2010 BCREC UNDIP. All rights reserved(Received: 16th June 2010, Revised: 18th October 2010; Accepted: 25th October 2010[How to Cite:Ateeq Rahman. (2010. Catalytic Hydrogenation of Acetone to Isopropanol: An Environmentally Benign Approach. Bulletin of Chemical Reaction Engineering and Catalysis, 5(2: 113-126. doi:10.9767/bcrec.5.2.798.113-126][DOI: http://dx.doi.org/10.9767/bcrec.5.2.798.113-126 || or local:  http://ejournal.undip.ac.id/index.php/bcrec/article/view/798

Mesostructured Cu–Mn–Ce–O composites with homogeneous bulk composition for chlorobenzene removal: Catalytic performance and microactivation course

Energy Technology Data Exchange (ETDEWEB)

He, Chi, E-mail: chi_he@mail.xjtu.edu.cn [Department of Environmental Science and Engineering, School of Energy and Power Engineering, Xi' an Jiaotong University, Xi' an 710049 (China); Yu, Yanke [Key Lab of Urban Environment and Health, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021 (China); Shi, Jianwen [Center of Nanomaterials for Renewable Energy, State Key Laboratory of Electrical Insulation and Power Equipment, School of Electrical Engineering, Xi' an Jiaotong University, Xi' an 710049 (China); Shen, Qun [Research Center for Greenhouse Gases and Environmental Engineering, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210 (China); Chen, Jinsheng [Key Lab of Urban Environment and Health, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021 (China); Liu, Hongxia, E-mail: hxliu72@mail.xjtu.edu.cn [Department of Environmental Science and Engineering, School of Energy and Power Engineering, Xi' an Jiaotong University, Xi' an 710049 (China)

2015-05-01

Cu–Mn–Ce–O composites with enhanced surface area and developed mesoporosity were synthesized using a homogeneous coprecipitation (hcp) method, and were tested in the catalytic destruction of chlorobenzene (CB). X-ray diffraction (XRD), N{sub 2} adsorption/desorption, field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), temperature programmed reduction (H{sub 2}-TPR), temperature programmed desorption of CB/O{sub 2} (CB/O{sub 2}-TPD), and diffuse reflectance ultraviolet visible spectroscopy (DRUV-Vis) were used to characterize the structure and textural properties of catalysts. Mn and Cu enter CeO{sub 2} matrix with a fluorite-like structure, and produce large amounts of oxygen vacancies. Addition of manganese promotes the formation of reduced copper phase, and the presence of large numbers of high valence Mn{sup 4+} ions strongly enhances the redox couple of Cu{sup +}–Cu{sup 2+} in the composites. Both the synthesis protocol and metal doping amount significantly affect the catalyst reducibility, surface state and oxygen density. Cu{sub 0.15}Mn{sub 0.15}Ce{sub 0.85}O{sub x} synthesized via the hcp method exhibits the highest catalytic activity with 90% of chlorobenzene destructed at 255 °C (CO{sub 2} selectivity > 99.5%). Enriched surface oxygen, excellent active oxygen mobility and CB adsorption ability guarantee the superior activity and stability of Cu–Mn–Ce–O composite catalysts. Nucleophilic and electrophilic substitutions happen in sequence during chlorobenzene destruction, and the adsorbed Cl can be finally removed in the form of Cl{sub 2} via the Deacon reaction. Furthermore, the incorporation of CuO and MnO{sub x} phases can inhibit the formation of organic byproducts, such as phenolates, maleates, and o-benzoquinone-type species, especially at elevated reaction temperatures. - Highlights: • Cu–Mn–Ce–O mesoporous oxides possess enhanced surface oxygen

Catalytic Synthesis of Ethyl Ester From Some Common Oils ...

African Journals Online (AJOL)

Catalytic conversion of ethanol to fatty acid ethyl esters (FAEE) was carried out by homogeneous and heterogeneous transesterification of melon seed, shea butter and neem seed oils using NaOH, KOH and 5wt%CaO/Al2O3 catalyst systems respectively. Oil content of the seeds from n-hexane or hot water extract ranged ...

Niobium bonds as homogeneous catalysts for the cyclotrimerization of alkynes

International Nuclear Information System (INIS)

Du Toit, C.J.

1984-05-01

The activity and selectivity of the catalytic system MX 5 with M = Nb or Ta and X = Cl - or Br - and (CH 3 ) 3 TaCl 2 with regard to the reaction rate and product formation in the reaction with alkynes were evaluated. A measuring technique was developed with which the reaction path of the oligomerization reactions of alkynes with homogeneous catalysts in a nitrogen atmosphere can be followed spectrophotometrically

An investigation of turbulent catalytically stabilized channel flow combustion of lean hydrogen - air mixtures

Energy Technology Data Exchange (ETDEWEB)

Mantzaras, I; Benz, P; Schaeren, R; Bombach, R [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1999-08-01

The catalytically stabilised thermal combustion (CST) of lean hydrogen-air mixtures was investigated numerically in a turbulent channel flow configuration using a two-dimensional elliptic model with detailed heterogeneous and homogeneous chemical reactions. Comparison between turbulent and laminar cases having the same incoming mean properties shows that turbulence inhibits homogeneous ignition due to increased heat transport away from the near-wall layer. The peak root-mean-square temperature and species fluctuations are always located outside the extent of the homogeneous reaction zone indicating that thermochemical fluctuations have no significant influence on gaseous combustion. (author) 4 figs., 6 refs.

5-[{sup 18}F]Fluoroalkyl pyrimidine nucleosides: probes for positron emission tomography imaging of herpes simplex virus type 1 thymidine kinase gene expression

Energy Technology Data Exchange (ETDEWEB)

Chacko, Ann-Marie [Institute for Environmental Medicine, Targeted Therapeutics Program, University of Pennsylvania, Philadelphia, PA 19104 (United States); Blankemeyer, Eric; Lieberman, Brian P.; Qu, Wenchao [Department of Radiology, University of Pennsylvania, Philadelphia, PA 19104 (United States); Kung, Hank F. [Department of Radiology, University of Pennsylvania, Philadelphia, PA 19104 (United States); Department of Pharmacology, University of Pennsylvania, Philadelphia, PA 19104 (United States)], E-mail: kunghf@gmail.com

2009-01-15

Introduction: The preliminary in vivo evaluation of novel 5-[{sup 18}F]fluoroalkyl-2'-deoxyuridines ([{sup 18}F]FPrDU, [{sup 18}F]FBuDU, [{sup 18}F]FPeDU; [{sup 18}F]1a-c, respectively) and 2'-fluoro-2'-deoxy-5-[{sup 18}F]fluoroalkyl-1-{beta}-D-arabinofuranosyl uracils ([{sup 18}F]FFPrAU, [{sup 18}F]FFBuAU, [{sup 18}F]FFPeAU; [{sup 18}F]1d-f, respectively) as probes for imaging herpes simplex virus type 1 thymidine kinase (HSV1-tk) gene expression is described. Methods: [{sup 18}F]1a-f were successfully synthesized by a rapid and efficient two-step one-pot nucleophilic fluorination reaction using 5-O-mesylate precursors and [{sup 18}F]F{sup -}. For in vivo studies, tumor xenografts were grown in nude mice by implanting RG2 cells stably expressing HSV1-tk (RG2TK+) and wild-type cells (RG2). Results: Biodistribution studies at 2 h pi revealed that the uptake of [{sup 18}F]1a-b and [{sup 18}F]1d-e in RG2TK+ tumors was not significantly different from control tumors. However, [{sup 18}F]1c and [{sup 18}F]1f had an average 1.6- and 1.7-fold higher uptake in RG2TK+ tumors than control RG2 tumors. Blood activity curves for [{sup 18}F]1c and [{sup 18}F]1f highlight rapid clearance of radioactivity in the blood. Dynamic small animal PET (A-PET) imaging studies of tumor-bearing mice with [{sup 18}F]1c and [{sup 18}F]1f showed higher initial uptake (3.5- and 1.4-fold, respectively) in RG2TK+ tumors than in control tumors, with continued washout of activity from both tumors over time. Conclusions: Biological evaluations suggest that [{sup 18}F]1c and [{sup 18}F]1f may have limited potential for imaging HSV1-tk gene expression due to fast washout of activity from the blood, thus significantly decreasing sensitivity and specificity of tracer accumulation in HSV1-tk-expressing tumors.

Synthesis of propylene carbonate from urea and propylene glycol over zinc oxide: A homogeneous reaction

Directory of Open Access Journals (Sweden)

Dengfeng Wang

2014-11-01

Full Text Available In this work, several metal oxides and zinc salts were used to catalyze propylene carbonate (PC synthesis from urea and propylene glycol (PG. According to the results of catalytic test and characterization, the catalytic pattern of ZnO was different from that of other metal oxides such as CaO, MgO and La2O3, but similar to that of zinc salts. In fact, the leaching of Zn species took place during reaction for ZnO. And ZnO was found to be the precursor of homogenous catalyst for reaction of urea and PG. Thus, the relationship between the amount of dissolved zinc species and the catalytic performance of employed ZnO was revealed. In addition, a possible reaction mechanism over ZnO was discussed based on the catalytic runs and the characterization of XRD, FTIR, and element analysis.

Practical approaches to the ESI-MS analysis of catalytic reactions.

Science.gov (United States)

Yunker, Lars P E; Stoddard, Rhonda L; McIndoe, J Scott

2014-01-01

Electrospray ionization mass spectrometry (ESI-MS) is a soft ionization technique commonly coupled with liquid or gas chromatography for the identification of compounds in a one-time view of a mixture (for example, the resulting mixture generated by a synthesis). Over the past decade, Scott McIndoe and his research group at the University of Victoria have developed various methodologies to enhance the ability of ESI-MS to continuously monitor catalytic reactions as they proceed. The power, sensitivity and large dynamic range of ESI-MS have allowed for the refinement of several homogenous catalytic mechanisms and could potentially be applied to a wide range of reactions (catalytic or otherwise) for the determination of their mechanistic pathways. In this special feature article, some of the key challenges encountered and the adaptations employed to counter them are briefly reviewed. Copyright © 2014 John Wiley & Sons, Ltd.

Asymmetric C-C Bond-Formation Reaction with Pd: How to Favor Heterogeneous or Homogeneous Catalysis?

DEFF Research Database (Denmark)

Reimann, S.; Grunwaldt, Jan-Dierk; Mallat, T.

2010-01-01

The enantioselective allylic alkylation of (E)-1,3-diphenylallyl acetate was studied to clarify the heterogeneous or homogeneous character of the Pd/Al2O3-(R)-BINAP catalyst system. A combined approach was applied: the catalytic tests were completed with in situ XANES measurements to follow...

Partial catalytic oxidation of CH{sub 4} to synthesis gas for power generation - Final report

Energy Technology Data Exchange (ETDEWEB)

Mantzaras, I.; Schneider, A.

2006-03-15

The partial oxidation of methane to synthesis gas over rhodium catalysts has been investigated experimentally and numerically in the pressure range of 4 to 10 bar. The methane/oxidizer feed has been diluted with large amounts of H{sub 2}O and CO{sub 2} (up to 70% vol.) in order to simulate new power generation cycles with large exhaust gas recycle. Experiments were carried out in an optically accessible channel-flow reactor that facilitated laser-based in situ measurements, and also in a subscale gas-turbine catalytic reactor. Full-elliptic steady and transient two-dimensional numerical codes were used, which included elementary hetero-/homogeneous chemical reaction schemes. The following are the key conclusions: a) Heterogeneous (catalytic) and homogeneous (gas-phase) schemes have been validated for the partial catalytic oxidation of methane with large exhaust gas recycle. b) The impact of added H{sub 2}O and CO{sub 2} has been elucidated. The added H{sub 2}O increased the methane conversion and hydrogen selectivity, while it decreased the CO selectivity. The chemical impact of CO{sub 2} (dry reforming) was minimal. c) The numerical model reproduced the measured catalytic ignition times. It was further shown that the chemical impact of H{sub 2}O and CO{sub 2} on the catalytic ignition delay times was minimal. d) The noble metal dispersion increased with different support materials, in the order Rh/{alpha}-Al{sub 2}O{sub 3}, Rh/ZrO{sub 2}, and Rh/Ce-ZrO{sub 2}. An evident relationship was established between the noble metal dispersion and the catalytic behavior. (authors)

Carbon–carbon bond cleavage for Cu-mediated aromatic trifluoromethylations and pentafluoroethylations

Directory of Open Access Journals (Sweden)

Tsuyuka Sugiishi

2015-12-01

Full Text Available This short review highlights the copper-mediated fluoroalkylation using perfluoroalkylated carboxylic acid derivatives. Carbon–carbon bond cleavage of perfluoroalkylated carboxylic acid derivatives takes place in fluoroalkylation reactions at high temperature (150–200 °C or under basic conditions to generate fluoroalkyl anion sources for the formation of fluoroalkylcopper species. The fluoroalkylation reactions, which proceed through decarboxylation or tetrahedral intermediates, are useful protocols for the synthesis of fluoroalkylated aromatics.

Numerical study of the behavior of methane-hydrogen/air pre-mixed flame in a micro reactor equipped with catalytic segmented bluff body

International Nuclear Information System (INIS)

Baigmohammadi, Mohammadreza; Tabejamaat, Sadegh; Zarvandi, Jalal

2015-01-01

In this work, combustion characteristics of premixed methane-hydrogen/air in a micro reactor equipped with a catalytic bluff body is investigated numerically. In this regard, the detailed chemistry schemes for gas phase (homogeneous) and the catalyst surface (heterogeneous) are used. The applied catalytic bluff body is coated with a thin layer of platinum (Pt) on its surface. Also, the lean reactive mixture is entered to the reactor with equivalence ratio 0.9. The results of this study showed that the use of catalytic bluff body in the center of a micro reactor can significantly increase the flame stability, especially at high velocities. Moreover, it is found that a catalytic bluff body with several cavities on its surface and also high thermal conductivity improves the flame stability more than a catalytic bluff body without cavities and low thermal conductivity. Finally, it is maintained that the most advantage of using the catalytic bluff body is its easy manufacturing process as compared to the catalytic wall. This matter seems to be more prevalent when we want to create several cavities with various sizes on the bluff-body. - Highlights: • Presence of a bluff body in a micro reactor can move the flame towards the upstream. • Catalytic bluff body can significantly increase flame stability at high velocities. • Creating non-catalytic cavities on the bluff body promotes homogeneous reactions. • Segmented catalytic bluff body improves the flame stability more than a simple one. • Creating the segments on a bluff body is easier compared to a wall

Real life experimental determination of platinum group metals content in automotive catalytic converters

Science.gov (United States)

Yakoumis, I.; Moschovi, A. M.; Giannopoulou, I.; Panias, D.

2018-03-01

The real life experimental protocol for the preparation of spent automobile catalyst samples for elemental analysis is thoroughly described in the following study. Collection, sorting and dismantling, homogenization and sample preparation for X-Ray fluorescence spectroscopy and Atomic Adsorption Spectroscopy combined with Inductive coupled plasma mass spectrometry are discussed in detail for both ceramic and metallic spent catalysts. The concentrations of Platinum Group Metals (PGMs) in spent catalytic converters are presented based on typical consignments of recycled converters (more than 45,000 pieces) from the Greek Market. The conclusions clearly denoted commercial metallic catalytic foil contains higher PGMs loading than ceramic honeycombs. On the other hand, the total PGMs loading in spent ceramic catalytic converters has been found higher than the corresponding value for the metallic ones.

Immobilization of rhodium complexes at thiolate monolayers on gold surfaces : Catalytic and structural studies

NARCIS (Netherlands)

Belser, T; Stöhr, Meike; Pfaltz, A

2005-01-01

Chiral rhodium-diphosphine complexes have been incorporated into self-assembled thiolate monolayers (SAMS) on gold colloids. Catalysts of this type are of interest because they combine properties of homogeneous and heterogeneous systems. In addition, it should be possible to influence the catalytic

Catalytic combustion of methane over mixed oxides derived from Co-Mg/Al ternary hydrotalcites

Energy Technology Data Exchange (ETDEWEB)

Jiang, Zheng [Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, OX1 3QR (United Kingdom); Research Centre of Eco-Environmental Sciences, CAS, Beijing 100085 (China); Jesus College, University of Oxford, OX1 3DW (United Kingdom); Yu, Junjie; Cheng, Jie; Hao, Zhengping [Research Centre of Eco-Environmental Sciences, CAS, Beijing 100085 (China); Xiao, Tiancun; Edwards, Peter P. [Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, OX1 3QR (United Kingdom); Jones, Martin O. [Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, OX1 3QR (United Kingdom); Rutherford Appleton Laboratory, Didcot, OX11 0QX (United Kingdom)

2010-01-15

Co{sub x}Mg{sub 3-x} /Al composite oxides (xCoMAO-800) were prepared by calcination of Co{sub x}Mg{sub 3-x}/Al hydrotalcites (x=0.0,0.5,1.0,1.5,2.0,2.5,3.0, respectively) at 800 C. The materials were characterized using XRD, TG-DSC, N{sub 2} adsorption-desorption and TPR. The methane catalytic combustion over the xCoMAO-800 was assessed in a fixed bed micro-reactor. The results revealed that cobalt can be homogenously dispersed into the matrices of the hydrotalcites and determines the structure, specific surface areas and porosity of the derived xCoMAO-800 oxide catalysts. The thermal stability and homogeneity of the hydrotalcites markedly depends on the cobalt concentration in the hydrotalcites. The Co-based hydrotalcite-derived oxides exhibit good activity in the catalytic combustion of methane. The catalytic activity over the xCoMAO-800 oxides enhances with increasing x up to 1.5, but subsequently decreases dramatically as cobalt loadings are further increased. The 1.5CoMAO-800 catalyst shows the best methane combustion activity, igniting methane at 450 C and completing methane combustion around 600 C. The catalytic combustion activity over the xCoMAO-800 oxides are closely related to the strong Co-Mg/Al interaction within the mixed oxides according to the TG-DSC, TPR and activity characteristics. (author)

Studies Relevent to Catalytic Activation Co & other small Molecules

Energy Technology Data Exchange (ETDEWEB)

Ford, Peter C

2005-02-22

Detailed annual and triannual reports describing the progress accomplished during the tenure of this grant were filed with the Program Manager for Catalysis at the Office of Basic Energy Sciences. To avoid unnecessary duplication, the present report will provide a brief overview of the research areas that were sponsored by this grant and list the resulting publications and theses based on this DOE supported research. The scientific personnel participating in (and trained by) this grant's research are also listed. Research carried out under this DOE grant was largely concerned with the mechanisms of the homogeneous catalytic and photocatalytic activation of small molecules such as carbon monoxide, dihydrogen and various hydrocarbons. Much of the more recent effort has focused on the dynamics and mechanisms of reactions relevant to substrate carbonylations by homogeneous organometallic catalysts. A wide range of modern investigative techniques were employed, including quantitative fast reaction methodologies such as time-resolved optical (TRO) and time-resolved infrared (TRIR) spectroscopy and stopped flow kinetics. Although somewhat diverse, this research falls within the scope of the long-term objective of applying quantitative techniques to elucidate the dynamics and understand the principles of mechanisms relevant to the selective and efficient catalytic conversions of fundamental feedstocks to higher value materials.

Synthesis, Characterization, and Catalytic Activity of Pd(II Salen-Functionalized Mesoporous Silica

Directory of Open Access Journals (Sweden)

Rotcharin Sawisai

2017-01-01

Full Text Available Salen ligand synthesized from 2-hydroxybenzaldehyde and 2-hydroxy-1-naphthaldehyde was used as a palladium chelating ligand for the immobilization of the catalytic site. Mesoporous silica supported palladium catalysts were prepared by immobilizing Pd(OAc2 onto a mesoporous silica gel through the coordination of the imine-functionalized mesoporous silica gel. The prepared catalysts were characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM, energy dispersive X-ray (EDX, inductivity couple plasma (ICP, nitrogen adsorption-desorption, and Fourier transform infrared (FT-IR spectroscopy. The solid catalysts showed higher activity for the hydroamination of C-(tetra-O-acetyl-β-D-galactopyranosylallene with aromatic amines compared with the corresponding homogenous catalyst. The heterogeneous catalytic system can be easily recovered by simple filtration and reused for up to five cycles with no significant loss of catalytic activity.

Modification of enzymes by use of high-pressure homogenization.

Science.gov (United States)

Dos Santos Aguilar, Jessika Gonçalves; Cristianini, Marcelo; Sato, Helia Harumi

2018-07-01

High-pressure is an emerging and relatively new technology that can modify various molecules. High-pressure homogenization (HPH) has been used in several studies on protein modification, especially in enzymes used or found in food, from animal, plant or microbial resources. According to the literature, the enzymatic activity can be modulated under pressure causing inactivation, stabilization or activation of the enzymes, which, depending on the point of view could be very useful. Homogenization can generate changes in the structure of the enzyme modifying various chemical bonds (mainly weak bonds) causing different denaturation levels and, consequently, affecting the catalytic activity. This review aims to describe the various alterations due to HPH treatment in enzymes, to show the influence of high-pressure on proteins and to report the HPH effects on the enzymatic activity of different enzymes employed in the food industry and research. Copyright © 2018 Elsevier Ltd. All rights reserved.

Development of [18F]halofluorination and [18F]fluoride ion displacement reactions for the synthesis of F-18 labelled radiopharmaceuticals

International Nuclear Information System (INIS)

Chi, D.Y.

1986-01-01

Two fluorine-18 labeling methods, [ 18 F]halofluorination and [ 18 F]fluoride ion displacement reactions, have been developed to assess their potential for labeling molecules with the positron-emitting radionuclide fluorine-18 at the no-carrier-added level. Olefin halofluorination involves the in situ generation of a halogen-fluoride reagent and subsequent addition to an olefin. The characteristics of this reaction were investigated with three model olefins (allylbenzene, 1-hexene, and propene). A two-step method for the preparation of fluoroalkyl substituted amines and amides has been achieved. The sequence involves fluoride ion displacement of trifluoromethanesulfonates (triflates) from short-chain haloalkyl triflates, followed by fluoroalkylation of the amine or amide. Alternatively, short-chain fluoroalkyl halides can be prepared by halofluorination of a terminal olefin. These reactions have been used to prepare various fluoroalkyl derivatives of 1-phenylpiperazine and N-fluoroalkyl derivatives of the neuroleptic agent spiperone. A series of fluorine-18 labeled N-fluoroalkylated spiperone derivatives were synthesized by N-alkylation of spiperone with fluoroalkyl halides

Substrate specificity and pH dependence of homogeneous wheat germ acid phosphatase.

Science.gov (United States)

Van Etten, R L; Waymack, P P

1991-08-01

The broad substrate specificity of a homogeneous isoenzyme of wheat germ acid phosphatase (WGAP) was extensively investigated by chromatographic, electrophoretic, NMR, and kinetic procedures. WGAP exhibited no divalent metal ion requirement and was unaffected upon incubation with EDTA or o-phenanthroline. A comparison of two catalytically homogeneous isoenzymes revealed little difference in substrate specificity. The specificity of WGAP was established by determining the Michaelis constants for a wide variety of substrates. p-Nitrophenyl phosphate, pyrophosphate, tripolyphosphate, and ATP were preferred substrates while lesser activities were seen toward sugar phosphates, trimetaphosphate, phosphoproteins, and (much less) phosphodiesters. An extensive table of Km and Vmax values is given. The pathway for the hydrolysis of trimetaphosphate was examined by colorimetric and 31P NMR methods and it was found that linear tripolyphosphate is not a free intermediate in the enzymatic reaction. In contrast to literature reports, homogeneous wheat germ acid phosphatase exhibits no measurable carboxylesterase activity, nor does it hydrolyze phenyl phosphonothioate esters or phytic acid at significant rates.

At the frontier between heterogeneous and homogeneous catalysis : hydrogenation of olefins and alkynes with soluble iron nanoparticles

NARCIS (Netherlands)

Rangheard, Claudine; Julián Fernández, César de; Phua, Pim-Huat; Hoorn, Johan; Lefort, Laurent; Vries, Johannes G. de

2010-01-01

The use of non-supported Fe nanoparticles in the hydrogenation of unsaturated C–C bonds is a green catalytic concept at the frontier between homogeneous and heterogeneous catalysis. Iron nanoparticles can be obtained by reducing Fe salts with strong reductants in various solvents. FeCl3 reduced by 3

Quantitative Analysis of Homogeneous Electrocatalytic Reactions at IDA Electrodes: The Example of [Ni(PPh2NBn2)2]2+

Energy Technology Data Exchange (ETDEWEB)

Liu, Fei; Parkinson, B. A.; Divan, Ralu; Roberts, John; Liang, Yanping

2016-12-01

Interdigitated array (IDA) electrodes have been applied to study the EC’ (electron transfer reaction followed by a catalytic reaction) reactions and a new method of quantitative analysis of IDA results was developed. In this new method, currents on IDA generator and collector electrodes for an EC’ mechanism are derived from the number of redox cycles and the contribution of non-catalytic current. And the fractions of bipotential recycling species and catalytic-active species are calculated, which helps understanding the catalytic reaction mechanism. The homogeneous hydrogen evolution reaction catalyzed by [Ni(PPh2NBn2)2]2+ (where PPh2NBn2 is 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) electrocatalyst was examined and analyzed with IDA electrodes. Besides, the existence of reaction intermediates in the catalytic cycle is inferred from the electrochemical behavior of a glassy carbon disk electrodes and carbon IDA electrodes. This quantitative analysis of IDA electrode cyclic voltammetry currents can be used as a simple and straightforward method for determining reaction mechanism in other catalytic systems as well.

Quantitative Analysis of Homogeneous Electrocatalytic Reactions at IDA Electrodes: The Example of [Ni(PPh2NBn2)2]2+

International Nuclear Information System (INIS)

Liu, Fei; Parkinson, B.A.; Divan, Ralu; Roberts, John; Liang, Yanping

2016-01-01

Interdigitated array (IDA) electrodes have been applied to study the EC’ (electron transfer reaction followed by a catalytic reaction) reactions and a new method of quantitative analysis of IDA results was developed. In this new method, currents on IDA generator and collector electrodes for an EC’ mechanism are derived from the number of redox cycles and the contribution of non-catalytic current. And the fractions of bipotential recycling species and catalytic-active species are calculated, which helps understanding the catalytic reaction mechanism. The homogeneous hydrogen evolution reaction catalyzed by [Ni(P Ph 2 N Bn 2 ) 2 ] 2+ (where P Ph 2 N Bn 2 is 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) electrocatalyst was examined and analyzed with IDA electrodes. Besides, the existence of reaction intermediates in the catalytic cycle is inferred from the electrochemical behavior of a glassy carbon disk electrodes and carbon IDA electrodes. This quantitative analysis of IDA electrode cyclic voltammetry currents can be used as a simple and straightforward method for determining reaction mechanism in other catalytic systems as well.

Effects of the gas-liquid ratio on the optimum catalyst quantity for the CECE process with a homogeneously packed LPCE column

International Nuclear Information System (INIS)

Sugiyama, T.; Ushida, A.; Yamamoto, I.

2008-01-01

In order to improve the separative performance of a combined electrolysis catalytic exchange (CECE) process, we have carried out experimental studies on hydrogen isotope separation by a CECE process using a liquid phase catalytic exchange (LPCE) column of trickle-type packed beds. Two types of trickle beds were tested in our previous study. One was the layered bed, where layers of Kogel catalysts and Dixon gauze rings were alternately filled in the column. The other was the homogeneous bed, where Kogel catalysts and Dixon gauze rings were homogeneously mixed and filled in the column. We found that (1) the homogeneously packed bed was more efficient than the layered packed bed, and (2) the catalyst quantity was optimal, which resulted in the highest separative performance. In this study, the effect of the gas-liquid ratio (G/L) on the optimum catalyst quantity was studied experimentally in a homogeneously packed bed. When the value of G/L was 1.7, total separation factors were relatively small and the optimum catalyst quantity could not be determined. On the other hand, when the values of G/L were 0.9 and 0.7, the values of the total separation factors had maximums and the optimal quantities of the catalyst were clearly obtained

Catalytic residues Lys197 and Arg199 of Bacillus subtilis phosphoribosyl diphosphate synthase. Alanine-scanning mutagenesis of the flexible catalytic loop

DEFF Research Database (Denmark)

Hove-Jensen, Bjarne; Bentsen, Ann-Kristin K; Harlow, Kenneth W

2005-01-01

Eleven of the codons specifying the amino acids of the flexible catalytic loop [KRRPRPNVAEVM(197-208)] of Bacillus subtilis phosphoribosyl diphosphate synthase have been changed individually to specify alanine. The resulting variant enzyme forms, as well as the wildtype enzyme, were produced...... in an Escherichia coli strain lacking endogenous phosphoribosyl diphosphate synthase activity and purified to near homogeneity. The B. subtilis phosphoribosyl diphosphate synthase mutant variants K197A and R199A were studied in detail. The physical properties of the two enzymes were similar to those of the wildtype...

Catalytic monolayer voltammetry and in situ scanning tunneling microscopy of copper nitrite reductase on cysteamine-modified Au(111) electrodes

DEFF Research Database (Denmark)

Zhang, Jingdong; Welinder, A.C.; Hansen, Allan Glargaard

2003-01-01

electrochemical scanning tunneling microscopy (in situ STM) directly in aqueous acetate buffer, pH 6.0 has been used. High-resolution in situ STM shows that cysteamine packs into ordered domains with strip features of a periodic distance of 11.7 +/- 0.3 Angstrom. No voltammetric signals of the nitrite substrate...... on this surface could be detected. A strong cathodic catalytic wave appears in the presence of nitrite. The catalytic current follows a Michaelis-Menten pattern with a Michaelis constant of K-m approximate to 44 muM, which is close to the value for AxCuNiR in homogeneous solution. The apparent catalytic rate...

Purification of the gas after pyrolysis in coupled plasma-catalytic system

Directory of Open Access Journals (Sweden)

Młotek Michał

2017-12-01

Full Text Available Gliding discharge and coupled plasma-catalytic system were used for toluene conversion in a gas composition such as the one obtained during pyrolysis of biomass. The chosen catalyst was G-0117, which is an industrial catalyst for methane conversion manufactured by INS Pulawy (Poland. The effects of discharge power, initial concentration of toluene, gas flow rate and the presence of the bed of the G-0117 catalyst on the conversion of C7H8, a model tars compounds were investigated. Conversion of coluene increases with discharge power and the highest one was noted in the coupled plasma-catalytic system. It was higher than that in the homogeneous system of gliding discharge. When applying a reactor with reduced G-0117 and CO (0.15 mol%, CO2 (0.15 mol%, H2 (0.30 mol%, N2 (0.40 mol%, 4000 ppm of toluene and gas flow rate of 1.5 Nm3/h, the conversion of toluene was higher than 99%. In the coupled plasma-catalytic system with G-0117 methanation of carbon oxides was observed.

Synthesis, characterization and catalytic activity toward methanol oxidation of electrocatalyst Pt4+-NH2-MCM-41

International Nuclear Information System (INIS)

Zheng Huajun; Chen Zuo; Wang Limin; Ma Chun’an

2012-01-01

Highlights: ► It was first confirmed that the Pt 4+ exhibited a good electro-catalytic property for methanol oxidation. ► The Pt 4+ perfectly distributed on a mesoporous molecular sieve matrix synthesis by a facile method. ► The good performance of catalyst resistance to poisoning because of a homogeneous distribution of Pt 4+ and large specific surface area. - Abstract: Mesoporous material with functional group (Pt 4+ -NH 2 -MCM-41) was prepared by grafting aminopropyl group and adsorbing platinum ions on the surface of the commercial molecular sieve (MCM-41). The characterization carried out by X-ray photoelectron spectroscopy, X-ray diffraction, and N 2 adsorption–desorption measurement pointed out that Pt was adsorbed on the NH 2 -MCM-41 surface as the oxidation state (Pt 4+ ) and the surface area of Pt 4+ -NH 2 -MCM-41 was up to 564 m 2 /g. Transmission electron microscopy and elemental mapping indicated a homogeneous distribution of Pt 4+ throughout all surface of the mesoporous materials. Electro-catalytic properties of methanol oxidation on the Pt 4+ -NH 2 -MCM-41 electrode were investigated with electrochemical methods. The results showed that the Pt 4+ -NH 2 -MCM-41 electrode exhibited catalytic activity in the methanol electro-oxidation with the apparent activation energy being 49.29 kJ/mol, and the control step of methanol electro-oxidation was the mass transfer process. It is first proved that platinum ions had good electro-catalytic property for methanol oxidation and provided a new idea for developing electrode materials in future.

Homogeneous solutions of hydrophilic enzymes in nonpolar organic solvents. New systems for fundamental studies and biocatalytic transformations.

Science.gov (United States)

Mozhaev, V V; Poltevsky, K G; Slepnev, V I; Badun, G A; Levashov, A V

1991-11-04

A typical hydrophilic enzyme, CT, can be dissolved in nonpolar organic solvents (n-octane, cyclohexane and toluene) up to microM concentrations. In the homogeneous solution obtained, the enzyme possesses catalytic activity and enormously high thermostability. It does not lose this activity even after several hours refluxing in octane (126 degrees C) or cyclohexane (81 degrees C).

Transformation of Carbon Dioxide with Homogeneous Transition-Metal Catalysts: A Molecular Solution to a Global Challenge?

KAUST Repository

Cokoja, Mirza

2011-08-29

A plethora of methods have been developed over the years so that carbon dioxide can be used as a reactant in organic synthesis. Given the abundance of this compound, its utilization in synthetic chemistry, particularly on an industrial scale, is still at a rather low level. In the last 35 years, considerable research has been performed to find catalytic routes to transform CO 2 into carboxylic acids, esters, lactones, and polymers in an economic way. This Review presents an overview of the available homogeneous catalytic routes that use carbon dioxide as a C 1 carbon source for the synthesis of industrial products as well as fine chemicals. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Kinetics of catalytic wet air oxidation of phenol in trickle bed reactor].

Science.gov (United States)

Li, Guang-ming; Zhao, Jian-fu; Wang, Hua; Zhao, Xiu-hua; Zhou, Yang-yuan

2004-05-01

By using a trickle bed reactor which was designed by the authors, the catalytic wet air oxidation reaction of phenol on CuO/gamma-Al2O3 catalyst was studied. The results showed that in mild operation conditions (at temperature of 180 degrees C, pressure of 3 MPa, liquid feed rate of 1.668 L x h(-1) and oxygen feed rate of 160 L x h(-1)), the removal of phenol can be over 90%. The curve of phenol conversion is similar to "S" like autocatalytic reaction, and is accordance with chain reaction of free radical. The kinetic model of pseudo homogenous reactor fits the catalytic wet air oxidation reaction of phenol. The effects of initial concentration of phenol, liquid feed rate and temperature for reaction also were investigated.

Expression, purification and crystallization of the catalytic subunit of protein kinase CK2 from Zea mays

DEFF Research Database (Denmark)

Guerra, B; Niefind, K; Pinna, L A

1998-01-01

The catalytic (alpha) subunit of protein kinase CK2 (CK2alpha) was originally cloned and overexpressed in the Escherichia coli strain pT7-7/BL21(DE3). The protein has been purified to homogeneity and crystallized. The crystals belong to the monoclinic space group C2, they have unit-cell parameter...

Two Iron Complexes as Homogeneous and Heterogeneous Catalysts for the Chemical Fixation of Carbon Dioxide.

Science.gov (United States)

Karan, Chandan Kumar; Bhattacharjee, Manish

2018-04-16

Two new bimetallic iron-alkali metal complexes of amino acid (serine)-based reduced Schiff base ligand were synthesized and structurally characterized. Their efficacy as catalysts for the chemical fixation of carbon dioxide was explored. The heterogeneous version of the catalytic reaction was developed by the immobilization of these homogeneous bimetallic iron-alkali metal complexes in an anion-exchange resin. The resin-bound complexes can be used as recyclable catalysts up to six cycles.

Electroless preparation and characterization of Ni-B nanoparticles supported on multi-walled carbon nanotubes and their catalytic activity towards hydrogenation of styrene

Energy Technology Data Exchange (ETDEWEB)

Liu, Zheng; Li, Zhilin [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Institute of Carbon Fibers and Composites, Beijing University of Chemical Technology, Beijing 100029 (China); Wang, Feng, E-mail: wangf@mail.buct.edu.cn [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Institute of Carbon Fibers and Composites, Beijing University of Chemical Technology, Beijing 100029 (China); Liu, Jingjun; Ji, Jing [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Institute of Carbon Fibers and Composites, Beijing University of Chemical Technology, Beijing 100029 (China); Park, Ki Chul [Institute of Carbon Science and Technology (ICST), Shinshu University, 4-17-1 Wakasato, Nagano-shi, Nagano 380-8553 (Japan); Endo, Morinobu [Department of Electrical and Electronic Engineering, Faculty of Engineering, Shinshu University, 4-17-1 Wakasato, Nagano-shi, Nagano 380-8553 (Japan)

2012-02-15

Graphical abstract: The MWCNT/Ni-B catalyst has been successfully prepared by an electroless deposition process. The Ni-B nanoparticles on the supporter are amorphous and are well-distributed. The catalytic conversion towards hydrogenation of styrene shows excellent catalytic activity of the obtained materials. Highlights: Black-Right-Pointing-Pointer A two-step treatment of MWCNTs enabled the homogeneous growth of Ni-B nanoparticles. Black-Right-Pointing-Pointer Ni-B nanoparticles were amorphous with an average size of 60 nm. Black-Right-Pointing-Pointer There were electron transfer between Ni and B. Black-Right-Pointing-Pointer The catalyst had excellent catalytic activity towards hydrogenation of styrene. -- Abstract: Nickel-boron (Ni-B) nanoparticles supported on multi-walled carbon nanotubes (MWCNTs) were successfully synthesized through an electroless deposition process using the plating bath with sodium borohydride as a reducing agent. The structural and morphological analyses using field-emission scanning electron microscopy, X-ray diffractometry and high-resolution transmission electron microscopy have shown that the Ni-B nanoparticles deposited on the sidewalls of MWCNTs are fine spheres comprised of amorphous structure with the morphologically unique fine-structure like flowers, and homogenously dispersed with a narrow particle size distribution centered at around 60 nm diameter. The catalytic activity of MWCNT/Ni-B nanoparticles was evaluated with respect to hydrogenation of styrene. The hydrogenation catalyzed by MWCNT-supported Ni-B nanoparticles has been found to make styrene selectively converted into ethylbenzene. The highest conversion reaches 99.8% under proper reaction conditions, which demonstrates the high catalytic activity of MWCNT/Ni-B nanoparticles.

TEMPO functionalized C60 fullerene deposited on gold surface for catalytic oxidation of selected alcohols

International Nuclear Information System (INIS)

Piotrowski, Piotr; Pawłowska, Joanna; Sadło, Jarosław Grzegorz; Bilewicz, Renata; Kaim, Andrzej

2017-01-01

C 60 TEMPO 10 catalytic system linked to a microspherical gold support through a covalent S-Au bond was developed. The C 60 TEMPO 10 @Au composite catalyst had a particle size of 0.5–0.8 μm and was covered with the fullerenes derivative of 2.3 nm diameter bearing ten nitroxyl groups; the organic film showed up to 50 nm thickness. The catalytic composite allowed for the oxidation under mild conditions of various primary and secondary alcohols to the corresponding aldehyde and ketone analogues with efficiencies as high as 79–98%, thus giving values typical for homogeneous catalysis, while retaining at the same time all the advantages of heterogeneous catalysis, e.g., easy separation by filtration from the reaction mixture. The catalytic activity of the resulting system was studied by means of high pressure liquid chromatography. A redox mechanism was proposed for the process. In the catalytic cycle of the oxidation process, the TEMPO moiety was continuously regenerated in situ with an applied primary oxidant, for example, O 2 /Fe 3+ system. The new intermediate composite components and the final catalyst were characterized by various spectroscopic methods and thermogravimetry.

Theoretical studies of homogeneous catalysts mimicking nitrogenase.

Science.gov (United States)

Sgrignani, Jacopo; Franco, Duvan; Magistrato, Alessandra

2011-01-10

The conversion of molecular nitrogen to ammonia is a key biological and chemical process and represents one of the most challenging topics in chemistry and biology. In Nature the Mo-containing nitrogenase enzymes perform nitrogen 'fixation' via an iron molybdenum cofactor (FeMo-co) under ambient conditions. In contrast, industrially, the Haber-Bosch process reduces molecular nitrogen and hydrogen to ammonia with a heterogeneous iron catalyst under drastic conditions of temperature and pressure. This process accounts for the production of millions of tons of nitrogen compounds used for agricultural and industrial purposes, but the high temperature and pressure required result in a large energy loss, leading to several economic and environmental issues. During the last 40 years many attempts have been made to synthesize simple homogeneous catalysts that can activate dinitrogen under the same mild conditions of the nitrogenase enzymes. Several compounds, almost all containing transition metals, have been shown to bind and activate N₂ to various degrees. However, to date Mo(N₂)(HIPTN)₃N with (HIPTN)₃N= hexaisopropyl-terphenyl-triamidoamine is the only compound performing this process catalytically. In this review we describe how Density Functional Theory calculations have been of help in elucidating the reaction mechanisms of the inorganic compounds that activate or fix N₂. These studies provided important insights that rationalize and complement the experimental findings about the reaction mechanisms of known catalysts, predicting the reactivity of new potential catalysts and helping in tailoring new efficient catalytic compounds.

A New Homogeneous Catalyst for the Dehydrogenation of Dimethylamine Borane Starting with Ruthenium(III Acetylacetonate

Directory of Open Access Journals (Sweden)

Ebru Ünel Barın

2015-06-01

Full Text Available The catalytic activity of ruthenium(III acetylacetonate was investigated for the first time in the dehydrogenation of dimethylamine borane. During catalytic reaction, a new ruthenium(II species is formed in situ from the reduction of ruthenium(III and characterized using UV-Visible, Fourier transform infrared (FTIR, 1H NMR, and mass spectroscopy. The most likely structure suggested for the ruthenium(II species is mer-[Ru(N2Me43(acacH]. Mercury poisoning experiment indicates that the catalytic dehydrogenation of dimethylamine-borane is homogeneous catalysis. The kinetics of the catalytic dehydrogenation of dimethylamine borane starting with Ru(acac3 were studied depending on the catalyst concentration, substrate concentration and temperature. The hydrogen generation was found to be first-order with respect to catalyst concentration and zero-order regarding the substrate concentration. Evaluation of the kinetic data provides the activation parameters for the dehydrogenation reaction: the activation energy Ea = 85 ± 2 kJ·mol−1, the enthalpy of activation ∆H# = 82 ± 2 kJ·mol−1 and the entropy of activation; ∆S# = −85 ± 5 J·mol−1·K−1. The ruthenium(II catalyst formed from the reduction of ruthenium(III acetylacetonate provides 1700 turnovers over 100 hours in hydrogen generation from the dehydrogenation of dimethylamine borane before deactivation at 60 °C.

Mass transfer model liquid phase catalytic exchange column simulation applicable to any column composition profile

Energy Technology Data Exchange (ETDEWEB)

Busigin, A. [NITEK USA Inc., Ocala, FL (United States)

2015-03-15

Liquid Phase Catalytic Exchange (LPCE) is a key technology used in water detritiation systems. Rigorous simulation of LPCE is complicated when a column may have both hydrogen and deuterium present in significant concentrations in different sections of the column. This paper presents a general mass transfer model for a homogenous packed bed LPCE column as a set of differential equations describing composition change, and equilibrium equations to define the mass transfer driving force within the column. The model is used to show the effect of deuterium buildup in the bottom of an LPCE column from non-negligible D atom fraction in the bottom feed gas to the column. These types of calculations are important in the design of CECE (Combined Electrolysis and Catalytic Exchange) water detritiation systems.

In situ formed catalytically active ruthenium nanocatalyst in room temperature dehydrogenation/dehydrocoupling of ammonia-borane from Ru(cod)(cot) precatalyst.

Science.gov (United States)

Zahmakiran, Mehmet; Ayvalı, Tuğçe; Philippot, Karine

2012-03-20

The development of simply prepared and effective catalytic materials for dehydrocoupling/dehydrogenation of ammonia-borane (AB; NH(3)BH(3)) under mild conditions remains a challenge in the field of hydrogen economy and material science. Reported herein is the discovery of in situ generated ruthenium nanocatalyst as a new catalytic system for this important reaction. They are formed in situ during the dehydrogenation of AB in THF at 25 °C in the absence of any stabilizing agent starting with homogeneous Ru(cod)(cot) precatalyst (cod = 1,5-η(2)-cyclooctadiene; cot = 1,3,5-η(3)-cyclooctatriene). The preliminary characterization of the reaction solutions and the products was done by using ICP-OES, ATR-IR, TEM, XPS, ZC-TEM, GC, EA, and (11)B, (15)N, and (1)H NMR, which reveal that ruthenium nanocatalyst is generated in situ during the dehydrogenation of AB from homogeneous Ru(cod)(cot) precatalyst and B-N polymers formed at the initial stage of the catalytic reaction take part in the stabilization of this ruthenium nanocatalyst. Moreover, following the recently updated approach (Bayram, E.; et al. J. Am. Chem. Soc.2011, 133, 18889) by performing Hg(0), CS(2) poisoning experiments, nanofiltration, time-dependent TEM analyses, and kinetic investigation of active catalyst formation to distinguish single metal or in the present case subnanometer Ru(n) cluster-based catalysis from polymetallic Ru(0)(n) nanoparticle catalysis reveals that in situ formed Ru(n) clusters (not Ru(0)(n) nanoparticles) are kinetically dominant catalytically active species in our catalytic system. The resulting ruthenium catalyst provides 120 total turnovers over 5 h with an initial turnover frequency (TOF) value of 35 h(-1) at room temperature with the generation of more than 1.0 equiv H(2) at the complete conversion of AB to polyaminoborane (PAB; [NH(2)BH(2)](n)) and polyborazylene (PB; [NHBH](n)) units.

COAL CONVERSION WASTEWATER TREATMENT BY CATALYTIC OXIDATION IN SUPERCRITICAL WATER; FINAL

International Nuclear Information System (INIS)

Phillip E. Savage

1999-01-01

Wastewaters from coal-conversion processes contain phenolic compounds in appreciable concentrations. These compounds need to be removed so that the water can be discharged or re-used. Catalytic oxidation in supercritical water is one potential means of treating coal-conversion wastewaters, and this project examined the reactions of phenol over different heterogeneous oxidation catalysts in supercritical water. More specifically, we examined the oxidation of phenol over a commercial catalyst and over bulk MnO(sub 2), bulk TiO(sub 2), and CuO supported on Al(sub 2) O(sub 3). We used phenol as the model pollutant because it is ubiquitous in coal-conversion wastewaters and there is a large database for non-catalytic supercritical water oxidation (SCWO) with which we can contrast results from catalytic SCWO. The overall objective of this research project is to obtain the reaction engineering information required to evaluate the utility of catalytic supercritical water oxidation for treating wastes arising from coal conversion processes. All four materials were active for catalytic supercritical water oxidation. Indeed, all four materials produced phenol conversions and CO(sub 2) yields in excess of those obtained from purely homogeneous, uncatalyzed oxidation reactions. The commercial catalyst was so active that we could not reliably measure reaction rates that were not limited by pore diffusion. Therefore, we performed experiments with bulk transition metal oxides. The bulk MnO(sub 2) and TiO(sub 2) catalysts enhance both the phenol disappearance and CO(sub 2) formation rates during SCWO. MnO(sub 2) does not affect the selectivity to CO(sub 2), or to the phenol dimers at a given phenol conversion. However, the selectivities to CO(sub 2) are increased and the selectivities to phenol dimers are decreased in the presence of TiO(sub 2) , which are desirable trends for a catalytic SCWO process. The role of the catalyst appears to be accelerating the rate of formation of

Nature of active centers of catalytic system of VOCl/sub 3/ - Al(C/sub 2/H/sub 5/)/sub 2/Cl

Energy Technology Data Exchange (ETDEWEB)

Dubnikova, I L; Meshkova, I N [AN SSSR, Moscow. Inst. Khimicheskoj Fiziki

1977-05-01

To investigate the nature of the active sites of the catalyst VOCl/sub 3/-Al(C/sub 2/H/sub 5/)/sub 2/Cl during olefine polymerization, the following factors have been studied: composition and catalytic activity of homogeneous and heterogeneous components of the system, valent state of vanadium entering into the composition of the catalytic sites, effect of an organoaluminium component on the catalytic activity of the system, and the properties of the polymeric products being formed. It has been shown that the catalytic sites of the system VOCl/sub 3/-Al(C/sub 4/H/sub 5/)/sub 2/Cl are located, predominantly, in the heterogeneus phase of the catalyst. A conclusion has been made that heterogeneous catalytic sites are bimetal complexes of alkyl derivatives of vanadium trichloride and aluminuim alkylchlorides and that polycentral mechanism of catalysis of olefine polymerization in the presence of VOCl/sub 3/-Al(C/sub 2/H/sub 5/)/sub 2/Cl is caused by two types of active vanadium-aluminium complexes differing in the nature of an organoaluminium component.

Combustion of hydrogen-air in micro combustors with catalytic Pt layer

Energy Technology Data Exchange (ETDEWEB)

Yang Wang; Zhijun Zhou; Weijuan Yang; Junhu Zhou; Jianzhong Liu; Zhihua Wang; Cen, Kefa [State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou 310027, Zhejiang (China)

2010-06-15

Micro power generators have high power density. However, their key components micro combustors have low stability. In this experiment, catalyst is applied to improve the stability. The catalytic micro combustor is made from an alumina ceramic tube. It has inner diameter of 1 mm, outer diameter of 2.02 mm and length of 24.5 mm. It is prepared through impregnation of aqueous solution of H{sub 2}PtCl{sub 6}. The flammability limits and surface temperatures under different operation conditions are measured. The flow rates range from 0.08 to 0.4 L/min. According to the experimental results, catalyst is effective to inhibit extinction. For example, At 0.8 L/min, the stability limit is 0.193-14.9 in the non-catalytic combustor. After applying catalyst, the lean limit is near 0, and the rich limit is 29.3. But catalyst is less effective to inhibit blow out. Increasing flow rates also inhibits extinction. In the non-catalytic combustor, while the flow rates increase from 0.08 to 0.2 L/min, the lean stability limit decreases from 0.193 to 0.125. The experimental results indicate that catalyst induces shift downstream in the stoichiometric and rich cases. The numeric simulation verifies that the heterogeneous reaction weakens the homogeneous reaction through consuming fuels. Thus, the insufficient heat recirculation makes the reaction region shift downstream. However, lean mixture has intense reaction in the catalytic combustor. It is attributed to the high mass diffusion and low thermal diffusion of lean mixture. (author)

Combustion of hydrogen-air in micro combustors with catalytic Pt layer

Energy Technology Data Exchange (ETDEWEB)

Wang Yang; Zhou Zhijun [State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou 310027, Zhejiang (China); Yang Weijuan, E-mail: 10508107@zju.edu.c [State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou 310027, Zhejiang (China); Zhou Junhu; Liu Jianzhong; Wang Zhihua; Cen Kefa [State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou 310027, Zhejiang (China)

2010-06-15

Micro power generators have high power density. However, their key components micro combustors have low stability. In this experiment, catalyst is applied to improve the stability. The catalytic micro combustor is made from an alumina ceramic tube. It has inner diameter of 1 mm, outer diameter of 2.02 mm and length of 24.5 mm. It is prepared through impregnation of aqueous solution of H{sub 2}PtCl{sub 6}. The flammability limits and surface temperatures under different operation conditions are measured. The flow rates range from 0.08 to 0.4 L/min. According to the experimental results, catalyst is effective to inhibit extinction. For example, At 0.8 L/min, the stability limit is 0.193-14.9 in the non-catalytic combustor. After applying catalyst, the lean limit is near 0, and the rich limit is 29.3. But catalyst is less effective to inhibit blow out. Increasing flow rates also inhibits extinction. In the non-catalytic combustor, while the flow rates increase from 0.08 to 0.2 L/min, the lean stability limit decreases from 0.193 to 0.125. The experimental results indicate that catalyst induces shift downstream in the stoichiometric and rich cases. The numeric simulation verifies that the heterogeneous reaction weakens the homogeneous reaction through consuming fuels. Thus, the insufficient heat recirculation makes the reaction region shift downstream. However, lean mixture has intense reaction in the catalytic combustor. It is attributed to the high mass diffusion and low thermal diffusion of lean mixture.

Combustion of hydrogen-air in micro combustors with catalytic Pt layer

International Nuclear Information System (INIS)

Wang Yang; Zhou Zhijun; Yang Weijuan; Zhou Junhu; Liu Jianzhong; Wang Zhihua; Cen Kefa

2010-01-01

Micro power generators have high power density. However, their key components micro combustors have low stability. In this experiment, catalyst is applied to improve the stability. The catalytic micro combustor is made from an alumina ceramic tube. It has inner diameter of 1 mm, outer diameter of 2.02 mm and length of 24.5 mm. It is prepared through impregnation of aqueous solution of H 2 PtCl 6 . The flammability limits and surface temperatures under different operation conditions are measured. The flow rates range from 0.08 to 0.4 L/min. According to the experimental results, catalyst is effective to inhibit extinction. For example, At 0.8 L/min, the stability limit is 0.193-14.9 in the non-catalytic combustor. After applying catalyst, the lean limit is near 0, and the rich limit is 29.3. But catalyst is less effective to inhibit blow out. Increasing flow rates also inhibits extinction. In the non-catalytic combustor, while the flow rates increase from 0.08 to 0.2 L/min, the lean stability limit decreases from 0.193 to 0.125. The experimental results indicate that catalyst induces shift downstream in the stoichiometric and rich cases. The numeric simulation verifies that the heterogeneous reaction weakens the homogeneous reaction through consuming fuels. Thus, the insufficient heat recirculation makes the reaction region shift downstream. However, lean mixture has intense reaction in the catalytic combustor. It is attributed to the high mass diffusion and low thermal diffusion of lean mixture.

The relationship between continuum homogeneity and statistical homogeneity in cosmology

International Nuclear Information System (INIS)

Stoeger, W.R.; Ellis, G.F.R.; Hellaby, C.

1987-01-01

Although the standard Friedmann-Lemaitre-Robertson-Walker (FLRW) Universe models are based on the concept that the Universe is spatially homogeneous, up to the present time no definition of this concept has been proposed that could in principle be tested by observation. Such a definition is here proposed, based on a simple spatial averaging procedure, which relates observable properties of the Universe to the continuum homogeneity idea that underlies the FLRW models. It turns out that the statistical homogeneity often used to describe the distribution of matter on a large scale does not imply spatial homogeneity according to this definition, and so cannot be simply related to a FLRW Universe model. Values are proposed for the homogeneity parameter and length scale of homogeneity of the Universe. (author)

Metal–Organic Frameworks Stabilize Mono(phosphine)–Metal Complexes for Broad-Scope Catalytic Reactions

Energy Technology Data Exchange (ETDEWEB)

Sawano, Takahiro; Lin, Zekai; Boures, Dean; An, Bing; Wang, Cheng; Lin, Wenbin (UC); (Xiamen)

2016-08-10

Mono(phosphine)–M (M–PR3; M = Rh and Ir) complexes selectively prepared by postsynthetic metalation of a porous triarylphosphine-based metal–organic framework (MOF) exhibited excellent activity in the hydrosilylation of ketones and alkenes, the hydrogenation of alkenes, and the C–H borylation of arenes. The recyclable and reusable MOF catalysts significantly outperformed their homogeneous counterparts, presumably via stabilizing M–PR3 intermediates by preventing deleterious disproportionation reactions/ligand exchanges in the catalytic cycles.

Mechanical Homogenization Increases Bacterial Homogeneity in Sputum

Science.gov (United States)

Stokell, Joshua R.; Khan, Ammad

2014-01-01

Sputum obtained from patients with cystic fibrosis (CF) is highly viscous and often heterogeneous in bacterial distribution. Adding dithiothreitol (DTT) is the standard method for liquefaction prior to processing sputum for molecular detection assays. To determine if DTT treatment homogenizes the bacterial distribution within sputum, we measured the difference in mean total bacterial abundance and abundance of Burkholderia multivorans between aliquots of DTT-treated sputum samples with and without a mechanical homogenization (MH) step using a high-speed dispersing element. Additionally, we measured the effect of MH on bacterial abundance. We found a significant difference between the mean bacterial abundances in aliquots that were subjected to only DTT treatment and those of the aliquots which included an MH step (all bacteria, P = 0.04; B. multivorans, P = 0.05). There was no significant effect of MH on bacterial abundance in sputum. Although our results are from a single CF patient, they indicate that mechanical homogenization increases the homogeneity of bacteria in sputum. PMID:24759710

An Adaptor Domain-Mediated Auto-Catalytic Interfacial Kinase Reaction

Science.gov (United States)

Liao, Xiaoli; Su, Jing; Mrksich, Milan

2010-01-01

This paper describes a model system for studying the auto-catalytic phosphorylation of an immobilized substrate by a kinase enzyme. This work uses self-assembled monolayers (SAMs) of alkanethiolates on gold to present the peptide substrate on a planar surface. Treatment of the monolayer with Abl kinase results in phosphorylation of the substrate. The phosphorylated peptide then serves as a ligand for the SH2 adaptor domain of the kinase and thereby directs the kinase activity to nearby peptide substrates. This directed reaction is intramolecular and proceeds with a faster rate than does the initial, intermolecular reaction, making this an auto-catalytic process. The kinetic non-linearity gives rise to properties that have no counterpart in the corresponding homogeneous phase reaction: in one example, the rate for phosphorylation of a mixture of two peptides is faster than the sum of the rates for phosphorylation of each peptide when presented alone. This work highlights the use of an adaptor domain in modulating the activity of a kinase enzyme for an immobilized substrate and offers a new approach for studying biochemical reactions in spatially inhomogeneous settings. PMID:19821459

Fabrication of palladium nanoparticles immobilized on an amine-functionalized ceramic membrane support using a nanoparticulate colloidal impregnation method with enhanced catalytic properties

Energy Technology Data Exchange (ETDEWEB)

Du, Yan; Chen, Rizhi [Nanjing Tech University, Nanjing (China)

2015-09-15

An efficient and reusable catalyst was developed by depositing palladium nanoparticles on an amine-functionalized ceramic membrane support using a nanoparticulate colloidal impregnation method. The as-prepared Pdloaded ceramic membrane support was characterized by XRD, SEM, EDS, TEM, XPS, ICP, and its catalytic properties were investigated in the liquid-phase p-nitrophenol hydrogenation. A comparative study was also made with the palladium nanoparticles deposited on an amine-functionalized ceramic membrane support by an impregnation-reduction method. The palladium nanoparticles could be homogeneously immobilized on the ceramic membrane support surface, and exhibited excellent catalytic performance in the p-nitrophenol hydrogenation. The catalytic activity of the Pdloaded ceramic membrane support prepared by the nanoparticulate colloidal impregnation method increased by 16.6% compared to that of impregnation-reduction method. In the nanoparticulate colloidal impregnation method, palladium nanoparticles were presynthesized, higher loading of Pd(0) could be obtained, resulting in better catalytic activity. The as-prepared Pd-loaded ceramic membrane support could be easily reused for several cycles without appreciable degradation of catalytic activity.

Theoretical Studies of Homogeneous Catalysts Mimicking Nitrogenase

Directory of Open Access Journals (Sweden)

Alessandra Magistrato

2011-01-01

Full Text Available The conversion of molecular nitrogen to ammonia is a key biological and chemical process and represents one of the most challenging topics in chemistry and biology. In Nature the Mo-containing nitrogenase enzymes perform nitrogen ‘fixation’ via an iron molybdenum cofactor (FeMo-co under ambient conditions. In contrast, industrially, the Haber-Bosch process reduces molecular nitrogen and hydrogen to ammonia with a heterogeneous iron catalyst under drastic conditions of temperature and pressure. This process accounts for the production of millions of tons of nitrogen compounds used for agricultural and industrial purposes, but the high temperature and pressure required result in a large energy loss, leading to several economic and environmental issues. During the last 40 years many attempts have been made to synthesize simple homogeneous catalysts that can activate dinitrogen under the same mild conditions of the nitrogenase enzymes. Several compounds, almost all containing transition metals, have been shown to bind and activate N2 to various degrees. However, to date Mo(N2(HIPTN3N with (HIPTN3N= hexaisopropyl-terphenyl-triamidoamine is the only compound performing this process catalytically. In this review we describe how Density Functional Theory calculations have been of help in elucidating the reaction mechanisms of the inorganic compounds that activate or fix N2. These studies provided important insights that rationalize and complement the experimental findings about the reaction mechanisms of known catalysts, predicting the reactivity of new potential catalysts and helping in tailoring new efficient catalytic compounds.

Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

KAUST Repository

Hong, Jongsup

2013-10-01

The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

KAUST Repository

Hong, Jongsup; Kirchen, Patrick; Ghoniem, Ahmed F.

2013-01-01

The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

Study of catalytic phenomena in radiation chemistry

International Nuclear Information System (INIS)

Dran, J.C.

1965-01-01

Two phenomena have been studied: the action of γ rays from radio-cobalt on the adsorption and catalytic properties of ZnO and NiO in. relationship with the heterogeneous oxidation of CO, and the homogeneous catalysis by OsO 4 of the oxidation of various aqueous phase solutes by the same radiation. The prior irradiation of ZnO and of NiO does not modify their catalytic activity but generally increases the adsorption energy of -the gases CO and O 2 . The influence of the radiations appears to be connected with the presence of traces of water on ZnO and of an excess of oxygen on NiO. Osmium tetroxide which is not degraded by irradiation in acid solution, accelerates the radiolytic oxidation of certain compounds (Te IV , Pt 11 , As 111 ) in the presence of oxygen, as a result of its sensitizing effect on the oxidation by H 2 O 2 . In the case of phosphites on the other hand, OsO 4 has a protecting action under certain conditions of acidity and may suppress entirely the chain reaction which characterizes the oxidation of this solute byγ rays. A general mechanism is proposed for these phenomena. The rate constant for the OsO 4 + HO 2 reaction is calculated to be 5.7 x 10 5 l.mol -1 . sec -1 . (author) [fr

Solar photo catalytic treatment of simulated dyestuff effluents

Energy Technology Data Exchange (ETDEWEB)

Kositzi, M.; Antoniadis, A.; Poulios, I.; Kiridies, I.; Malato, S.

2003-07-01

The photo catalytic organic content reduction of two selected synthetic wastewater from the textile dyeing industry, by the use heterogeneous and homogeneous photo catalytic methods under solar irradiation, has been studied at a pilot plant scale at the Plataforma Solar de Almeria. the effect of two different TiO{sub 2} modifications with oxidants such as H{sub 2}O{sub 2} and Na{sub 2}S{sub 2}O{sub 8}, on the decolorisation and the organic content reduction (DOC) of the wastewater was examined. the TiO{sub 2}/H{sub 2}O{sub 2} system seems to be more efficient in comparison to the synergetic action which appears when using persulfate and TiO{sub 2} in these specific wastewaters. By an accumulation energy of 50 KJ L''-1 the synergetic effect of TiO{sub 2} P-25 with H{sub 2}O{sub 2} and Na{sub 2}S{sub 2}O{sub 8} leads to a 70% and 57% DOC reduction, respectively, in the case of cotton synthetic wastewater, while the decolorisation was almost complete. The photo catalytic decolorisation, as well as the DOC reduction in the case of naylon simulated wastewater is a slower process and by an accumulation energy of 50 KJ L''-1 leads to 54% mineralization in both cases. The Photo-Fenton process in both cases was more efficient for this type of wastewater in comparison to the TiO{sub 2}/oxidant system. An accumulation of energy of 50 KJ L''-1 leads to 90% reduction of the organic content. (Author) 13 refs.

TEMPO functionalized C{sub 60} fullerene deposited on gold surface for catalytic oxidation of selected alcohols

Energy Technology Data Exchange (ETDEWEB)

Piotrowski, Piotr; Pawłowska, Joanna [University of Warsaw, Department of Chemistry (Poland); Sadło, Jarosław Grzegorz [Institute of Nuclear Chemistry and Technology (Poland); Bilewicz, Renata; Kaim, Andrzej, E-mail: akaim@chem.uw.edu.pl [University of Warsaw, Department of Chemistry (Poland)

2017-05-15

C{sub 60}TEMPO{sub 10} catalytic system linked to a microspherical gold support through a covalent S-Au bond was developed. The C{sub 60}TEMPO{sub 10}@Au composite catalyst had a particle size of 0.5–0.8 μm and was covered with the fullerenes derivative of 2.3 nm diameter bearing ten nitroxyl groups; the organic film showed up to 50 nm thickness. The catalytic composite allowed for the oxidation under mild conditions of various primary and secondary alcohols to the corresponding aldehyde and ketone analogues with efficiencies as high as 79–98%, thus giving values typical for homogeneous catalysis, while retaining at the same time all the advantages of heterogeneous catalysis, e.g., easy separation by filtration from the reaction mixture. The catalytic activity of the resulting system was studied by means of high pressure liquid chromatography. A redox mechanism was proposed for the process. In the catalytic cycle of the oxidation process, the TEMPO moiety was continuously regenerated in situ with an applied primary oxidant, for example, O{sub 2}/Fe{sup 3+} system. The new intermediate composite components and the final catalyst were characterized by various spectroscopic methods and thermogravimetry.

Catalytic combustion for the elimination of methane, BTEX and other VOC : IV

International Nuclear Information System (INIS)

Hayes, R.E.; Wanke, S.E.

2008-01-01

Options for volatile organic compound combustion include homogeneous combustion (flaring) or catalytic combustion involving a flameless combustion process that uses a solid catalyst to promote the combustion reaction. This presentation discussed relative reactivity testing for volatile organic compounds (VOCs) over commercial catalysts. Several commercial pad catalysts were tested, as well as other powders. The relative reactivity of methane as well as benzene, toluene, ethylbenzene, and xylene (BTEX) were investigated. The purpose of the project was to evaluate combustion of concentrated methane streams that contained BTEX compounds; evaluate catalytic combustion using a counter diffusive radiant heater; develop mathematical models for the reactor to enhance design and understanding; improve the catalyst for BTEX combustion; and target application-dehydrator units. Topics that were addressed in the presentation included methane and benzene conversion; catalytic radiant heaters; small industrial and commercial units; measured temperature distribution; fuel slippage, methane conversion; the effect of water and hydrocarbons; the effect of water-liquid injection; and water addition as vapour. Several observations were offered, including that high percentages of injected liquid water can reduce reactor operating temperature; combustion of BTEX remained highly efficient, however liquid injection could also cause temperature reductions and ultimately the reactor would extinguish; and pre-heating the feed can eliminate the temperature drop and pad wetness problem. It was concluded that BTEX compounds are reactive, and the technology appears promising. 19 figs

Catalytic combustion for the elimination of methane, BTEX and other VOC : IV

Energy Technology Data Exchange (ETDEWEB)

Hayes, R.E.; Wanke, S.E. [Alberta Univ., Edmonton, AB (Canada). Dept. of Chemical and Materials Engineering

2008-07-01

Options for volatile organic compound combustion include homogeneous combustion (flaring) or catalytic combustion involving a flameless combustion process that uses a solid catalyst to promote the combustion reaction. This presentation discussed relative reactivity testing for volatile organic compounds (VOCs) over commercial catalysts. Several commercial pad catalysts were tested, as well as other powders. The relative reactivity of methane as well as benzene, toluene, ethylbenzene, and xylene (BTEX) were investigated. The purpose of the project was to evaluate combustion of concentrated methane streams that contained BTEX compounds; evaluate catalytic combustion using a counter diffusive radiant heater; develop mathematical models for the reactor to enhance design and understanding; improve the catalyst for BTEX combustion; and target application-dehydrator units. Topics that were addressed in the presentation included methane and benzene conversion; catalytic radiant heaters; small industrial and commercial units; measured temperature distribution; fuel slippage, methane conversion; the effect of water and hydrocarbons; the effect of water-liquid injection; and water addition as vapour. Several observations were offered, including that high percentages of injected liquid water can reduce reactor operating temperature; combustion of BTEX remained highly efficient, however liquid injection could also cause temperature reductions and ultimately the reactor would extinguish; and pre-heating the feed can eliminate the temperature drop and pad wetness problem. It was concluded that BTEX compounds are reactive, and the technology appears promising. 19 figs.

Nanostructured, mesoporous Au/TiO2 model catalysts – structure, stability and catalytic properties

Directory of Open Access Journals (Sweden)

Matthias Roos

2011-09-01

Full Text Available Aiming at model systems with close-to-realistic transport properties, we have prepared and studied planar Au/TiO2 thin-film model catalysts consisting of a thin mesoporous TiO2 film of 200–400 nm thickness with Au nanoparticles, with a mean particle size of ~2 nm diameter, homogeneously distributed therein. The systems were prepared by spin-coating of a mesoporous TiO2 film from solutions of ethanolic titanium tetraisopropoxide and Pluronic P123 on planar Si(100 substrates, calcination at 350 °C and subsequent Au loading by a deposition–precipitation procedure, followed by a final calcination step for catalyst activation. The structural and chemical properties of these model systems were characterized by X-ray diffraction (XRD, transmission electron microscopy (TEM, N2 adsorption, inductively coupled plasma ionization spectroscopy (ICP–OES and X-ray photoelectron spectroscopy (XPS. The catalytic properties were evaluated through the oxidation of CO as a test reaction, and reactivities were measured directly above the film with a scanning mass spectrometer. We can demonstrate that the thin-film model catalysts closely resemble dispersed Au/TiO2 supported catalysts in their characteristic structural and catalytic properties, and hence can be considered as suitable for catalytic model studies. The linear increase of the catalytic activity with film thickness indicates that transport limitations inside the Au/TiO2 film catalyst are negligible, i.e., below the detection limit.

Steam reformer with catalytic combustor

Science.gov (United States)

Voecks, Gerald E. (Inventor)

1990-01-01

A steam reformer is disclosed having an annular steam reforming catalyst bed formed by concentric cylinders and having a catalytic combustor located at the center of the innermost cylinder. Fuel is fed into the interior of the catalytic combustor and air is directed at the top of the combustor, creating a catalytic reaction which provides sufficient heat so as to maintain the catalytic reaction in the steam reforming catalyst bed. Alternatively, air is fed into the interior of the catalytic combustor and a fuel mixture is directed at the top. The catalytic combustor provides enhanced radiant and convective heat transfer to the reformer catalyst bed.

Homogeneous Catalysis for Sustainable Hydrogen Storage in Formic Acid and Alcohols.

Science.gov (United States)

Sordakis, Katerina; Tang, Conghui; Vogt, Lydia K; Junge, Henrik; Dyson, Paul J; Beller, Matthias; Laurenczy, Gábor

2018-01-24

Hydrogen gas is a storable form of chemical energy that could complement intermittent renewable energy conversion. One of the main disadvantages of hydrogen gas arises from its low density, and therefore, efficient handling and storage methods are key factors that need to be addressed to realize a hydrogen-based economy. Storage systems based on liquids, in particular, formic acid and alcohols, are highly attractive hydrogen carriers as they can be made from CO 2 or other renewable materials, they can be used in stationary power storage units such as hydrogen filling stations, and they can be used directly as transportation fuels. However, to bring about a paradigm change in our energy infrastructure, efficient catalytic processes that release the hydrogen from these molecules, as well as catalysts that regenerate these molecules from CO 2 and hydrogen, are required. In this review, we describe the considerable progress that has been made in homogeneous catalysis for these critical reactions, namely, the hydrogenation of CO 2 to formic acid and methanol and the reverse dehydrogenation reactions. The dehydrogenation of higher alcohols available from renewable feedstocks is also described. Key structural features of the catalysts are analyzed, as is the role of additives, which are required in many systems. Particular attention is paid to advances in sustainable catalytic processes, especially to additive-free processes and catalysts based on Earth-abundant metal ions. Mechanistic information is also presented, and it is hoped that this review not only provides an account of the state of the art in the field but also offers insights into how superior catalytic systems can be obtained in the future.

Homogenization versus homogenization-free method to measure muscle glycogen fractions.

Science.gov (United States)

Mojibi, N; Rasouli, M

2016-12-01

The glycogen is extracted from animal tissues with or without homogenization using cold perchloric acid. Three methods were compared for determination of glycogen in rat muscle at different physiological states. Two groups of five rats were kept at rest or 45 minutes muscular activity. The glycogen fractions were extracted and measured by using three methods. The data of homogenization method shows that total glycogen decreased following 45 min physical activity and the change occurred entirely in acid soluble glycogen (ASG), while AIG did not change significantly. Similar results were obtained by using "total-glycogen-fractionation methods". The findings of "homogenization-free method" indicate that the acid insoluble fraction (AIG) was the main portion of muscle glycogen and the majority of changes occurred in AIG fraction. The results of "homogenization method" are identical with "total glycogen fractionation", but differ with "homogenization-free" protocol. The ASG fraction is the major portion of muscle glycogen and is more metabolically active form.

Catalytic nanoporous membranes

Science.gov (United States)

Pellin, Michael J; Hryn, John N; Elam, Jeffrey W

2013-08-27

A nanoporous catalytic membrane which displays several unique features Including pores which can go through the entire thickness of the membrane. The membrane has a higher catalytic and product selectivity than conventional catalysts. Anodic aluminum oxide (AAO) membranes serve as the catalyst substrate. This substrate is then subjected to Atomic Layer Deposition (ALD), which allows the controlled narrowing of the pores from 40 nm to 10 nm in the substrate by deposition of a preparatory material. Subsequent deposition of a catalytic layer on the inner surfaces of the pores reduces pore sizes to less than 10 nm and allows for a higher degree of reaction selectivity. The small pore sizes allow control over which molecules enter the pores, and the flow-through feature can allow for partial oxidation of reactant species as opposed to complete oxidation. A nanoporous separation membrane, produced by ALD is also provided for use in gaseous and liquid separations. The membrane has a high flow rate of material with 100% selectivity. Also provided is a method for producing a catalytic membrane having flow-through pores and discreet catalytic clusters adhering to the inside surfaces of the pores.

Human acid β-glucosidase: isolation and amino acid sequence of a peptide containing the catalytic site

International Nuclear Information System (INIS)

Dinur, T.; Osiecki, K.M.; Legler, G.; Gatt, S.; Desnick, R.J.; Grabowski, G.A.

1986-01-01

Human acid β-glucosidase (D-glucosyl-N-acylsphingosine glucohydrolase, EC 3.2.1.45) cleaves the glucosidic bonds of glucosylceramide and synthetic β-glucosides. The deficient activity of this hydrolase is the enzymatic defect in the subtypes and variants of Gaucher disease, the most prevalent lysosomal storage disease. To isolate and characterize the catalytic site of the normal enzyme, brominated 3 H-labeled conduritol B epoxide ( 3 H-Br-CBE), which inhibits the enzyme by binding covalently to this site, was used as an affinity label. Under optimal conditions 1 mol of 3 H-Br-CBE bound to 1 mol of pure enzyme protein, indicating the presence of a single catalytic site per enzyme subunit. After V 8 protease digestion of the 3 H-Br-CBE-labeled homogeneous enzyme, three radiolabeled peptides, designated peptide A, B, or C, were resolved by reverse-phase HPLC. The partial amino acid sequence (37 residues) of peptide A (M/sub r/, 5000) was determined. The sequence of this peptide, which contained the catalytic site, had exact homology to the sequence near the carboxyl terminus of the protein, as predicted from the nucleotide sequence of the full-length cDNA encoding acid β-glucosidase

Non-thermal plasmas for non-catalytic and catalytic VOC abatement

International Nuclear Information System (INIS)

Vandenbroucke, Arne M.; Morent, Rino; De Geyter, Nathalie; Leys, Christophe

2011-01-01

Highlights: → We review the current status of catalytic and non-catalytic VOC abatement based on a vast number of research papers. → The underlying mechanisms of plasma-catalysis for VOC abatement are discussed. → Critical process parameters that determine the influent are discussed and compared. - Abstract: This paper reviews recent achievements and the current status of non-thermal plasma (NTP) technology for the abatement of volatile organic compounds (VOCs). Many reactor configurations have been developed to generate a NTP at atmospheric pressure. Therefore in this review article, the principles of generating NTPs are outlined. Further on, this paper is divided in two equally important parts: plasma-alone and plasma-catalytic systems. Combination of NTP with heterogeneous catalysis has attracted increased attention in order to overcome the weaknesses of plasma-alone systems. An overview is given of the present understanding of the mechanisms involved in plasma-catalytic processes. In both parts (plasma-alone systems and plasma-catalysis), literature on the abatement of VOCs is reviewed in close detail. Special attention is given to the influence of critical process parameters on the removal process.

7 CFR 58.920 - Homogenization.

Science.gov (United States)

2010-01-01

... 7 Agriculture 3 2010-01-01 2010-01-01 false Homogenization. 58.920 Section 58.920 Agriculture... Procedures § 58.920 Homogenization. Where applicable concentrated products shall be homogenized for the... homogenization and the pressure at which homogenization is accomplished will be that which accomplishes the most...

Catalytic distillation process

Science.gov (United States)

Smith, L.A. Jr.

1982-06-22

A method is described for conducting chemical reactions and fractionation of the reaction mixture comprising feeding reactants to a distillation column reactor into a feed zone and concurrently contacting the reactants with a fixed bed catalytic packing to concurrently carry out the reaction and fractionate the reaction mixture. For example, a method for preparing methyl tertiary butyl ether in high purity from a mixed feed stream of isobutene and normal butene comprising feeding the mixed feed stream to a distillation column reactor into a feed zone at the lower end of a distillation reaction zone, and methanol into the upper end of said distillation reaction zone, which is packed with a properly supported cationic ion exchange resin, contacting the C[sub 4] feed and methanol with the catalytic distillation packing to react methanol and isobutene, and concurrently fractionating the ether from the column below the catalytic zone and removing normal butene overhead above the catalytic zone.

Catalytic Combustion of Gasified Waste

Energy Technology Data Exchange (ETDEWEB)

Kusar, Henrik

2003-09-01

This thesis concerns catalytic combustion for gas turbine application using a low heating-value (LHV) gas, derived from gasified waste. The main research in catalytic combustion focuses on methane as fuel, but an increasing interest is directed towards catalytic combustion of LHV fuels. This thesis shows that it is possible to catalytically combust a LHV gas and to oxidize fuel-bound nitrogen (NH{sub 3}) directly into N{sub 2} without forming NO{sub x} The first part of the thesis gives a background to the system. It defines waste, shortly describes gasification and more thoroughly catalytic combustion. The second part of the present thesis, paper I, concerns the development and testing of potential catalysts for catalytic combustion of LHV gases. The objective of this work was to investigate the possibility to use a stable metal oxide instead of noble metals as ignition catalyst and at the same time reduce the formation of NO{sub x} In paper II pilot-scale tests were carried out to prove the potential of catalytic combustion using real gasified waste and to compare with the results obtained in laboratory scale using a synthetic gas simulating gasified waste. In paper III, selective catalytic oxidation for decreasing the NO{sub x} formation from fuel-bound nitrogen was examined using two different approaches: fuel-lean and fuel-rich conditions. Finally, the last part of the thesis deals with deactivation of catalysts. The various deactivation processes which may affect high-temperature catalytic combustion are reviewed in paper IV. In paper V the poisoning effect of low amounts of sulfur was studied; various metal oxides as well as supported palladium and platinum catalysts were used as catalysts for combustion of a synthetic gas. In conclusion, with the results obtained in this thesis it would be possible to compose a working catalytic system for gas turbine application using a LHV gas.

Effects of the gas-liquid ratio on the optimal quantity of the catalyst for the CECE process with a homogeneously packed LPCE column

International Nuclear Information System (INIS)

Ushida, A.; Sugiyama, T.; Yamamoto, I.

2007-01-01

In order to improve the separative performance of a CECE (Combined Electrolysis Catalytic Exchange) process we have been carried out experimental studies on hydrogen isotope separation by a CECE process using with a LPCE (Liquid Phase Catalytic Exchange) column of trickle-type bed. Two types of trickle beds were tested in our previous study. One was the layered bed where layers of Kogel catalysts and that of Dixon gauze rings were filled in the column alternately. The other was the homogeneous bed where Kogel catalysts and Dixon gauze rings were mixed and filled in the column homogeneously. We found two major points: 1) the homogeneous bed was more efficient than the layered bed and 2) there was an optimal quantity of the catalyst for both types of beds to obtain the largest separation factor. The optimal quantity of the catalyst is affected by various factors such as catalytic activity, flow rates of fluid, temperature and so on. In this study we focused on an effect of the gasliquid ratio. The purpose of the present study is to investigate experimentally the effect of the gas-liquid ratio on the optimal quantity of the catalyst using with a homogeneous bed. The column is a Pyrex glass tube with 25 mm internal diameter and 60 cm length. The column is filled with Kogel catalysts (1.0 wt% Pt deposited) and Dixon gauze rings. A catalyst packed-ratio is defined as a ratio of the grain-volume of catalyst to the grain volume of the whole packings, where grain volumes mean the volume of a sphere with average diameter of the Kogel catalyst and the volume of a cylinder which has the outer shape same as a Dixon gauze ring. Hydrogen-deuterium isotope separation with the CECE equipment was performed at 101 kPa, 343 K for various values of the catalyst packed-ratio and for various values of the gas-liquid ratio. Hydrogen gas was generated by the Solid Polymer Electrolysis (SPE) electrolyzer. Maximum production rate and purity of hydrogen gas are 1 m3/h and 99.99%. The

Synthesis of CuO-NiO core-shell nanoparticles by homogeneous precipitation method

International Nuclear Information System (INIS)

Bayal, Nisha; Jeevanandam, P.

2012-01-01

Highlights: ► CuO-NiO core-shell nanoparticles have been synthesized using a simple homogeneous precipitation method for the first time. ► Mechanism of the formation of core-shell nanoparticles has been investigated. ► The synthesis route may be extended for the synthesis of other mixed metal oxide core-shell nanoparticles. - Abstract: Core-shell CuO–NiO mixed metal oxide nanoparticles in which CuO is the core and NiO is the shell have been successfully synthesized using homogeneous precipitation method. This is a simple synthetic method which produces first a layered double hydroxide precursor with core-shell morphology which on calcination at 350 °C yields the mixed metal oxide nanoparticles with the retention of core-shell morphology. The CuO–NiO mixed metal oxide precursor and the core-shell nanoparticles were characterized by powder X-ray diffraction, FT-IR spectroscopy, thermal gravimetric analysis, elemental analysis, scanning electron microscopy, transmission electron microscopy, and diffuse reflectance spectroscopy. The chemical reactivity of the core-shell nanoparticles was tested using catalytic reduction of 4-nitrophenol with NaBH 4 . The possible growth mechanism of the particles with core-shell morphology has also been investigated.

Catalytic bioreactors and methods of using same

Science.gov (United States)

Worden, Robert Mark; Liu, Yangmu Chloe

2017-07-25

Various embodiments provide a bioreactor for producing a bioproduct comprising one or more catalytically active zones located in a housing and adapted to keep two incompatible gaseous reactants separated when in a gas phase, wherein each of the one or more catalytically active zones may comprise a catalytic component retainer and a catalytic component retained within and/or thereon. Each of the catalytically active zones may additionally or alternatively comprise a liquid medium located on either side of the catalytic component retainer. Catalytic component may include a microbial cell culture located within and/or on the catalytic component retainer, a suspended catalytic component suspended in the liquid medium, or a combination thereof. Methods of using various embodiments of the bioreactor to produce a bioproduct, such as isobutanol, are also provided.

Homogenization of Mammalian Cells.

Science.gov (United States)

de Araújo, Mariana E G; Lamberti, Giorgia; Huber, Lukas A

2015-11-02

Homogenization is the name given to the methodological steps necessary for releasing organelles and other cellular constituents as a free suspension of intact individual components. Most homogenization procedures used for mammalian cells (e.g., cavitation pump and Dounce homogenizer) rely on mechanical force to break the plasma membrane and may be supplemented with osmotic or temperature alterations to facilitate membrane disruption. In this protocol, we describe a syringe-based homogenization method that does not require specialized equipment, is easy to handle, and gives reproducible results. The method may be adapted for cells that require hypotonic shock before homogenization. We routinely use it as part of our workflow to isolate endocytic organelles from mammalian cells. © 2015 Cold Spring Harbor Laboratory Press.

ISHHC XIII International Symposium on the Relations betweenHomogeneous and Heterogeneous Catalysis

Energy Technology Data Exchange (ETDEWEB)

Somorjai (Ed.), G.A.

2007-06-11

The International Symposium on Relations between Homogeneous and Heterogeneous Catalysis (ISHHC) has a long and distinguished history. Since 1974, in Brussels, this event has been held in Lyon, France (1977), Groeningen, The Netherlands (1981); Asilomar, California (1983); Novosibirsk, Russia (1986); Pisa, Italy (1989); Tokyo, Japan (1992); Balatonfuered, Hungary (1995); Southampton, United Kingdom (1999); Lyon, France (2001); Evanston, Illinois (2001) and Florence, Italy (2005). The aim of this international conference in Berkeley is to bring together practitioners in the three fields of catalysis, heterogeneous, homogeneous and enzyme, which utilize mostly nanosize particles. Recent advances in instrumentation, synthesis and reaction studies permit the nanoscale characterization of the catalyst systems, often for the same reaction, under similar experimental conditions. It is hoped that this circumstance will permit the development of correlations of these three different fields of catalysis on the molecular level. To further this goal we aim to uncover and focus on common concepts that emerge from nanoscale studies of structures and dynamics of the three types of catalysts. Another area of focus that will be addressed is the impact on and correlation of nanosciences with catalysis. There is information on the electronic and atomic structures of nanoparticles and their dynamics that should have importance in catalyst design and catalytic activity and selectivity.

Catalytic process for tritium exchange reaction

International Nuclear Information System (INIS)

Hansoo Lee; Kang, H.S.; Paek, S.W.; Hongsuk Chung; Yang Geun Chung; Sook Kyung Lee

2001-01-01

The catalytic activities for a hydrogen isotope exchange were measured through the reaction of a vapor and gas mixture. The catalytic activity showed to be comparable with the published data. Since the gas velocity is relatively low, the deactivation was not found clearly during the 5-hour experiment. Hydrogen isotope transfer experiments were also conducted through the liquid phase catalytic exchange reaction column that consisted of a catalytic bed and a hydrophilic bed. The efficiencies of both the catalytic and hydrophilic beds were higher than 0.9, implying that the column performance was excellent. (author)

Gold Incorporated Mesoporous Silica Thin Film Model Surface as a Robust SERS and Catalytically Active Substrate

Directory of Open Access Journals (Sweden)

Anandakumari Chandrasekharan Sunil Sekhar

2016-05-01

Full Text Available Ultra-small gold nanoparticles incorporated in mesoporous silica thin films with accessible pore channels perpendicular to the substrate are prepared by a modified sol-gel method. The simple and easy spin coating technique is applied here to make homogeneous thin films. The surface characterization using FESEM shows crack-free films with a perpendicular pore arrangement. The applicability of these thin films as catalysts as well as a robust SERS active substrate for model catalysis study is tested. Compared to bare silica film our gold incorporated silica, GSM-23F gave an enhancement factor of 103 for RhB with a laser source 633 nm. The reduction reaction of p-nitrophenol with sodium borohydride from our thin films shows a decrease in peak intensity corresponding to –NO2 group as time proceeds, confirming the catalytic activity. Such model surfaces can potentially bridge the material gap between a real catalytic system and surface science studies.

Functionality and homogeneity.

NARCIS (Netherlands)

2011-01-01

Functionality and homogeneity are two of the five Sustainable Safety principles. The functionality principle aims for roads to have but one exclusive function and distinguishes between traffic function (flow) and access function (residence). The homogeneity principle aims at differences in mass,

Contributions to the theory of catalytic titrations-III Neutralization catalytic titrations.

Science.gov (United States)

Gaál, F F; Abramović, B F

1985-07-01

Neutralization catalytic titrations of weak monoprotic adds and bases with both volumetric and coulometric addition of the titrant (strong base/acid) have been simulated by taking into account the equilibrium concentration of the catalyst during the titration. The influence of several factors on the shape of the simulated catalytic titration curve has been investigated and is discussed.

Homogenization of resonant chiral metamaterials

DEFF Research Database (Denmark)

Andryieuski, Andrei; Menzel, C.; Rockstuhl, Carsten

2010-01-01

Homogenization of metamaterials is a crucial issue as it allows to describe their optical response in terms of effective wave parameters as, e.g., propagation constants. In this paper we consider the possible homogenization of chiral metamaterials. We show that for meta-atoms of a certain size...... an analytical criterion for performing the homogenization and a tool to predict the homogenization limit. We show that strong coupling between meta-atoms of chiral metamaterials may prevent their homogenization at all....

Catalytic distillation structure

Science.gov (United States)

Smith, L.A. Jr.

1984-04-17

Catalytic distillation structure is described for use in reaction distillation columns, and provides reaction sites and distillation structure consisting of a catalyst component and a resilient component intimately associated therewith. The resilient component has at least about 70 volume % open space and is present with the catalyst component in an amount such that the catalytic distillation structure consists of at least 10 volume % open space. 10 figs.

Combination of sunlight irradiated oxidative processes for landfill leachate: heterogeneous catalysis (TiO2 versus homogeneous catalysis (H2O2

Directory of Open Access Journals (Sweden)

Oswaldo Luiz Cobra Guimarães

2013-04-01

Full Text Available The objective of this work was to study the treatment of landfill leachate liquid in nature, after the use of a combination of advanced oxidation processes. More specifically, it compared heterogeneous catalysis with TiO2 to homogeneous catalysis with H2O2, both under photo-irradiated sunlight. The liquid used for the study was the leachate from the landfill of the city of Cachoeira Paulista, São Paulo State, Brazil. The experiments were conducted in a semi-batch reactor open to the absorption of solar UV radiation, with 120 min reaction time. The factors and their respective levels (-1, 0 and 1 were distributed in a experimental design 24-1 with duplicate and triplicate in the central point, resulting in an array with 19 treatment trials. The studied factors in comparing the two catalytic processes were: liquid leachate dilution, TiO2 concentration on the reactor plate, the H2O2 amount and pH level. The leachate had low photo-catalytic degradability, with NOPC reductions ranging from 1% to a maximum of 24.9%. When considering each factor alone, neither homogeneous catalysis with H2O2, nor heterogeneous catalysis with TiO2, could degrade the percolated liquid without significant reductions (5% level in total NOPC. On the other hand, the combined use of homogenous catalysis with H2O2 and heterogeneous catalysis H2O2 resulted in the greatest reductions in NOPC. The optimum condition for the NOPC reduction was obtained at pH 7, dilution of percolated:water at 1:1 (v v-1 rate; excess of 12.5% H2O2 and coating plate reactor with 0.025 g cm-2 TiO2.

Catalytic site identification—a web server to identify catalytic site structural matches throughout PDB

Science.gov (United States)

Kirshner, Daniel A.; Nilmeier, Jerome P.; Lightstone, Felice C.

2013-01-01

The catalytic site identification web server provides the innovative capability to find structural matches to a user-specified catalytic site among all Protein Data Bank proteins rapidly (in less than a minute). The server also can examine a user-specified protein structure or model to identify structural matches to a library of catalytic sites. Finally, the server provides a database of pre-calculated matches between all Protein Data Bank proteins and the library of catalytic sites. The database has been used to derive a set of hypothesized novel enzymatic function annotations. In all cases, matches and putative binding sites (protein structure and surfaces) can be visualized interactively online. The website can be accessed at http://catsid.llnl.gov. PMID:23680785

Effect of α-Methyl versus α-Hydrogen Substitution on Brain Availability and Tumor Imaging Properties of Heptanoic [F-18]Fluoroalkyl Amino Acids for Positron Emission Tomography (PET).

Science.gov (United States)

Bouhlel, Ahlem; Alyami, Wadha; Li, Aixiao; Yuan, Liya; Rich, Keith; McConathy, Jonathan

2016-04-14

Two [(18)F]fluoroalkyl substituted amino acids differing only by the presence or absence of a methyl group on the α-carbon, (S)-2-amino-7-[(18)F]fluoro-2-methylheptanoic acid ((S)-[(18)F]FAMHep, (S)-[(18)F]14) and (S)-2-amino-7-[(18)F]fluoroheptanoic acid ((S)-[(18)F]FAHep, (S)-[(18)F]15), were developed for brain tumor imaging and compared to the well-established system L amino acid tracer, O-(2-[(18)F]fluoroethyl)-l-tyrosine ([(18)F]FET), in the delayed brain tumor (DBT) mouse model of high-grade glioma. Cell uptake, biodistribution, and PET/CT imaging studies showed differences in amino acid transport of these tracer by DBT cells. Recognition of (S)-[(18)F]15 but not (S)-[(18)F]14 by system L amino acid transporters led to approximately 8-10-fold higher uptake of the α-hydrogen substituted analogue (S)-[(18)F]15 in normal brain. (S)-[(18)F]15 had imaging properties similar to those of (S)-[(18)F]FET in the DBT tumor model while (S)-[(18)F]14 afforded higher tumor to brain ratios due to much lower uptake by normal brain. These results have important implications for the future development of α-alkyl and α,α-dialkyl substituted amino acids for brain tumor imaging.

Homogeneous crystal nucleation in polymers.

Science.gov (United States)

Schick, C; Androsch, R; Schmelzer, J W P

2017-11-15

The pathway of crystal nucleation significantly influences the structure and properties of semi-crystalline polymers. Crystal nucleation is normally heterogeneous at low supercooling, and homogeneous at high supercooling, of the polymer melt. Homogeneous nucleation in bulk polymers has been, so far, hardly accessible experimentally, and was even doubted to occur at all. This topical review summarizes experimental findings on homogeneous crystal nucleation in polymers. Recently developed fast scanning calorimetry, with cooling and heating rates up to 10 6 K s -1 , allows for detailed investigations of nucleation near and even below the glass transition temperature, including analysis of nuclei stability. As for other materials, the maximum homogeneous nucleation rate for polymers is located close to the glass transition temperature. In the experiments discussed here, it is shown that polymer nucleation is homogeneous at such temperatures. Homogeneous nucleation in polymers is discussed in the framework of the classical nucleation theory. The majority of our observations are consistent with the theory. The discrepancies may guide further research, particularly experiments to progress theoretical development. Progress in the understanding of homogeneous nucleation is much needed, since most of the modelling approaches dealing with polymer crystallization exclusively consider homogeneous nucleation. This is also the basis for advancing theoretical approaches to the much more complex phenomena governing heterogeneous nucleation.

Catalytic wet air oxidation of 2-chlorophenol over sewage sludge-derived carbon-based catalysts

Energy Technology Data Exchange (ETDEWEB)

Tu, Yuting [Institut de recherches sur la catalyse et l’environnement de Lyon (IRCELYON), CNRS – Université Claude Bernard Lyon 1, 2 Avenue Albert Einstein, 69626 Villeurbanne Cedex (France); School of Environmental Science and Engineering, Sun Yat-Sen University, Guangzhou 510275 (China); Xiong, Ya; Tian, Shuanghong [School of Environmental Science and Engineering, Sun Yat-Sen University, Guangzhou 510275 (China); Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, Guangzhou 510275 (China); Kong, Lingjun [School of Environmental Science and Engineering, Sun Yat-Sen University, Guangzhou 510275 (China); Descorme, Claude, E-mail: claude.descorme@ircelyon.univ-lyon1.fr [Institut de recherches sur la catalyse et l’environnement de Lyon (IRCELYON), CNRS – Université Claude Bernard Lyon 1, 2 Avenue Albert Einstein, 69626 Villeurbanne Cedex (France)

2014-07-15

Highlights: • A sewage sludge derived carbon-supported iron oxide catalyst (FeSC) was prepared. • FeSC exhibited high catalytic activity in the wet air oxidation of 2-chlorophenol. • A strong correlation was observed between the 2-CP conversion, the iron leaching and the pH. • Using an acetate buffer, the iron leaching was suppressed while keeping some catalytic activity. • A simplified reaction pathway was proposed for the CWAO of 2-CP over the FeSC catalyst. - Abstract: A sewage sludge derived carbon-supported iron oxide catalyst (FeSC) was prepared and used in the Catalytic Wet Air Oxidation (CWAO) of 2-chlorophenol (2-CP). The catalysts were characterized in terms of elemental composition, surface area, pH{sub PZC}, XRD and SEM. The performances of the FeSC catalyst in the CWAO of 2-CP was assessed in a batch reactor operated at 120 °C under 0.9 MPa oxygen partial pressure. Complete decomposition of 2-CP was achieved within 5 h and 90% Total Organic Carbon (TOC) was removed after 24 h of reaction. Quite a straight correlation was observed between the 2-CP conversion, the amount of iron leached in solution and the pH of the reaction mixture at a given reaction time, indicating a strong predominance of the homogeneous catalysis contribution. The iron leaching could be efficiently prevented when the pH of the solution was maintained at values higher than 4.5, while the catalytic activity was only slightly reduced. Upon four successive batch CWAO experiments, using the same FeSC catalyst recovered by filtration after pH adjustment, only a very minor catalyst deactivation was observed. Finally, based on all the identified intermediates, a simplified reaction pathway was proposed for the CWAO of 2-CP over the FeSC catalyst.

Method of fabricating a catalytic structure

Science.gov (United States)

Rollins, Harry W [Idaho Falls, ID; Petkovic, Lucia M [Idaho Falls, ID; Ginosar, Daniel M [Idaho Falls, ID

2009-09-22

A precursor to a catalytic structure comprising zinc oxide and copper oxide. The zinc oxide has a sheet-like morphology or a spherical morphology and the copper oxide comprises particles of copper oxide. The copper oxide is reduced to copper, producing the catalytic structure. The catalytic structure is fabricated by a hydrothermal process. A reaction mixture comprising a zinc salt, a copper salt, a hydroxyl ion source, and a structure-directing agent is formed. The reaction mixture is heated under confined volume conditions to produce the precursor. The copper oxide in the precursor is reduced to copper. A method of hydrogenating a carbon oxide using the catalytic structure is also disclosed, as is a system that includes the catalytic structure.

Feasibility Study of Aseptic Homogenization: Affecting Homogenization Steps on Quality of Sterilized Coconut Milk

Directory of Open Access Journals (Sweden)

Phungamngoen Chanthima

2016-01-01

Full Text Available Coconut milk is one of the most important protein-rich food sources available today. Separation of an emulsion into an aqueous phase and cream phase is commonly occurred and this leads an unacceptably physical defect of either fresh or processed coconut milk. Since homogenization steps are known to affect the stability of coconut milk. This work was aimed to study the effect of homogenization steps on quality of coconut milk. The samples were subject to high speed homogenization in the range of 5000-15000 rpm under sterilize temperatures at 120-140 °C for 15 min. The result showed that emulsion stability increase with increasing speed of homogenization. The lower fat particles were generated and easy to disperse in continuous phase lead to high stability. On the other hand, the stability of coconut milk decreased, fat globule increased, L value decreased and b value increased when the high sterilization temperature was applied. Homogenization after heating led to higher stability than homogenization before heating due to the reduced particle size of coconut milk after aggregation during sterilization process. The results implied that homogenization after sterilization process might play an important role on the quality of the sterilized coconut milk.

Effect of support on the catalytic activity of manganese oxide catalyts for toluene combustion

International Nuclear Information System (INIS)

Pozan, Gulin Selda

2012-01-01

Highlights: ► α-Al 2 O 3 , obtained from Bohmite, as a support for enhancing of the activity. ► The support material for catalytic oxidation. ► The manganese state and oxygen species effect on the catalytic combustion reaction. - Abstract: The aim of this work was to study combustion of toluene (1000 ppm) over MnO 2 modified with different supports. α-Al 2 O 3 and γ-Al 2 O 3 obtained from Boehmite, γ-Al 2 O 3 (commercial), SiO 2 , TiO 2 and ZrO 2 were used as commercial support materials. In view of potential interest of this process, the influence of support material on the catalytic performance was discussed. The deposition of 9.5MnO 2 was performed by impregnation over support. The catalysts were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), temperature programmed reduction and oxidation (TPR/TPO) and thermogravimetric analysis (TGA). The catalytic tests were carried out at atmospheric pressure in a fixed-bed flow reactor. 9.5MnO 2 /α-Al 2 O 3 (B) (synthesized from Boehmite) catalyst exhibits the highest catalytic activity, over which the toluene conversion was up to 90% at a temperature of 289 °C. Considering all the characterization and reaction data reported in this study, it was concluded that the manganese state and oxygen species played an important role in the catalytic activity.

7 CFR 58.636 - Homogenization.

Science.gov (United States)

2010-01-01

... 7 Agriculture 3 2010-01-01 2010-01-01 false Homogenization. 58.636 Section 58.636 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Procedures § 58.636 Homogenization. Homogenization of the pasteurized mix shall be accomplished to...

Benchmarking monthly homogenization algorithms

Science.gov (United States)

Venema, V. K. C.; Mestre, O.; Aguilar, E.; Auer, I.; Guijarro, J. A.; Domonkos, P.; Vertacnik, G.; Szentimrey, T.; Stepanek, P.; Zahradnicek, P.; Viarre, J.; Müller-Westermeier, G.; Lakatos, M.; Williams, C. N.; Menne, M.; Lindau, R.; Rasol, D.; Rustemeier, E.; Kolokythas, K.; Marinova, T.; Andresen, L.; Acquaotta, F.; Fratianni, S.; Cheval, S.; Klancar, M.; Brunetti, M.; Gruber, C.; Prohom Duran, M.; Likso, T.; Esteban, P.; Brandsma, T.

2011-08-01

The COST (European Cooperation in Science and Technology) Action ES0601: Advances in homogenization methods of climate series: an integrated approach (HOME) has executed a blind intercomparison and validation study for monthly homogenization algorithms. Time series of monthly temperature and precipitation were evaluated because of their importance for climate studies and because they represent two important types of statistics (additive and multiplicative). The algorithms were validated against a realistic benchmark dataset. The benchmark contains real inhomogeneous data as well as simulated data with inserted inhomogeneities. Random break-type inhomogeneities were added to the simulated datasets modeled as a Poisson process with normally distributed breakpoint sizes. To approximate real world conditions, breaks were introduced that occur simultaneously in multiple station series within a simulated network of station data. The simulated time series also contained outliers, missing data periods and local station trends. Further, a stochastic nonlinear global (network-wide) trend was added. Participants provided 25 separate homogenized contributions as part of the blind study as well as 22 additional solutions submitted after the details of the imposed inhomogeneities were revealed. These homogenized datasets were assessed by a number of performance metrics including (i) the centered root mean square error relative to the true homogeneous value at various averaging scales, (ii) the error in linear trend estimates and (iii) traditional contingency skill scores. The metrics were computed both using the individual station series as well as the network average regional series. The performance of the contributions depends significantly on the error metric considered. Contingency scores by themselves are not very informative. Although relative homogenization algorithms typically improve the homogeneity of temperature data, only the best ones improve precipitation data

Value distribution of meromorphic solutions of homogeneous and non-homogeneous complex linear differential-difference equations

Directory of Open Access Journals (Sweden)

Luo Li-Qin

2016-01-01

Full Text Available In this paper, we investigate the value distribution of meromorphic solutions of homogeneous and non-homogeneous complex linear differential-difference equations, and obtain the results on the relations between the order of the solutions and the convergence exponents of the zeros, poles, a-points and small function value points of the solutions, which show the relations in the case of non-homogeneous equations are sharper than the ones in the case of homogeneous equations.

Synthesis, Characterization and catalytic activity of triorganotin(IV) carboxylates for the production of biodiesel from rocket seed oil

International Nuclear Information System (INIS)

Tariq, M.; Ali, S.

2013-01-01

Organotin(IV) carboxylates have a wide range of industrial applications such as antifouling paints, PVC stabilization, ion carries in electrochemical membranes and homogeneous catalysts. The catalytic application of organotin carboxylates are in the field of silicone curing, polyurethane formation and esterification. Only a limited literature is available regarding the use of organotin carboxylates in the transesterification of vegetable oil to produce biodiesel . The present study deals with the synthesis of some new triorganotin(IV) carboxylates for their subsequent use as catalyst for transesterification of rocket seed oil to produce biodiesel. The three new triorganotin(IV) i.e. (Me/sub 3/SnL) (1),(Bu/sub 3/Snl) (2) and (Ph/sub 3/SnL) (3), were synthesized by refluxing sodium salt of ligand (NaL), where L=O/sub 2/C(CH/sub 3/)C=CHC/sub 6/H/sub 4/F with trimethyl, tributyl and triphenyl tin(IV) chlorides, respectively for 10 hrs. The synthesized compounds were characterized by instrumental techniques like FT-IR and NMR (1H, 13C). The catalytic activity of these compounds was assessed for transesterification of triglycerides in rocket seed oil to produce biodiesel. All the tested compounds showed good catalytic activity in the order 1> 2 > 3. (author)

Studies of Immobilized Homogeneous Metal Catalysts on Silica Supports

Energy Technology Data Exchange (ETDEWEB)

Stanger, Keith James [Iowa State Univ., Ames, IA (United States)

2003-01-01

The tethered, chiral, chelating diphosphine rhodium complex, which catalyzes the enantioselective hydrogenation of methyl-α-acetamidocinnamate (MAC), has the illustrated structure as established by ³¹P NMR and IR studies. Spectral and catalytic investigations also suggest that the mechanism of action of the tethered complex is the same as that of the untethered complex in solution. The rhodium complexes, [Rh(COD)H]₄, [Rh(COD)₂]⁺BF₄^-, [Rh(COD)Cl]₂, and RhCl₃• 3H₂O, adsorbed on SiO₂ are optimally activated for toluene hydrogenation by pretreatment with H₂ at 200 C. The same complexes on Pd-SiO₂ are equally active without pretreatments. The active species in all cases is rhodium metal. The catalysts were characterized by XPS, TEM, DRIFTS, and mercury poisoning experiments. Rhodium on silica catalyzes the hydrogenation of fluorobenzene to produce predominantly fluorocyclohexane in heptane and 1,2-dichloroethane solvents. In heptane/methanol and heptane/water solvents, hydrodefluorination to benzene and subsequent hydrogenation to cyclohexane occurs exclusively. Benzene inhibits the hydrodefluorination of fluorobenzene. In DCE or heptane solvents, fluorocyclohexane reacts with hydrogen fluoride to form cyclohexene. Reaction conditions can be chosen to selectively yield fluorocyclohexane, cyclohexene, benzene, or cyclohexane. The oxorhenium(V) dithiolate catalyst [-S(CH₂)₃s-]Re(O)(Me)(PPh₃) was modified by linking it to a tether that could be attached to a silica support. Spectroscopic investigation and catalytic oxidation reactivity showed the heterogenized catalyst's structure and reactivity to be similar to its homogeneous analog. However, the immobilized catalyst offered additional advantages of recyclability, extended stability, and increased resistance to deactivation.

Recovery of homogeneous polyoxometallate catalysts from aqueous and organic media by a mesoporous ceramic membrane without loss of catalytic activity

NARCIS (Netherlands)

Roy Chowdhury, S.; Roy Chowdhury, Sankhanilay; Witte, Peter T.; Blank, David H.A.; Alsters, Paul L.; ten Elshof, Johan E.

2006-01-01

The recovery of homogeneous polyoxometallate (POM) oxidation catalysts from aqueous and non-aqueous media by a nanofiltration process using mesoporous γ-alumina membranes is reported. The recovery of Q12[WZn3(ZnW9O34)2] (Q=[MeN(n-C8H17)3]+) from toluene-based media was quantitative within

Catalytic EC′ reaction at a thin film modified electrode

International Nuclear Information System (INIS)

Gerbino, Leandro; Baruzzi, Ana M.; Iglesias, Rodrigo A.

2013-01-01

Numerical simulations of cyclic voltammograms corresponding to a catalytic EC′ reaction taking place at a thin film modified electrode are performed by way of finite difference method. Besides considering the chemical kinetic occurring inside the thin film, the model takes into account the different diffusion coefficients for each species at each of the involved phases, i.e. the thin film layer and bulk solution. The theoretical formulation is given in terms of dimensionless model parameters but a brief discussion of each of these parameters and their relationship to experimental variables is presented. Special emphasis is given to the use of working curve characteristics to quantify diffusion coefficient, homogeneous kinetic constant and thickness of the thin layer in a real system. Validation of the model is made by comparison of experimental results corresponding to the electron charge transfer of Ru(NH 3 ) 6 3+ /Ru(NH 3 ) 6 2+ hemi-couple at a thin film of a cross-linked chitosan film containing an immobilized redox dye

The SPH homogeneization method

International Nuclear Information System (INIS)

Kavenoky, Alain

1978-01-01

The homogeneization of a uniform lattice is a rather well understood topic while difficult problems arise if the lattice becomes irregular. The SPH homogeneization method is an attempt to generate homogeneized cross sections for an irregular lattice. Section 1 summarizes the treatment of an isolated cylindrical cell with an entering surface current (in one velocity theory); Section 2 is devoted to the extension of the SPH method to assembly problems. Finally Section 3 presents the generalisation to general multigroup problems. Numerical results are obtained for a PXR rod bundle assembly in Section 4

Homogeneity of Inorganic Glasses

DEFF Research Database (Denmark)

Jensen, Martin; Zhang, L.; Keding, Ralf

2011-01-01

Homogeneity of glasses is a key factor determining their physical and chemical properties and overall quality. However, quantification of the homogeneity of a variety of glasses is still a challenge for glass scientists and technologists. Here, we show a simple approach by which the homogeneity...... of different glass products can be quantified and ranked. This approach is based on determination of both the optical intensity and dimension of the striations in glasses. These two characteristic values areobtained using the image processing method established recently. The logarithmic ratio between...

Synthesis, characterizations and catalytic studies of a new two-dimensional metal-organic framework based on Co-carboxylate secondary building units

Science.gov (United States)

Bagherzadeh, Mojtaba; Ashouri, Fatemeh; Đaković, Marijana

2015-03-01

A metal-organic framework [Co3(BDC)3(DMF)2(H2O)2] was synthesized and structurally characterized. X-ray single crystal analysis revealed that the framework contains a 2D polymeric chain through coordination of 1,4-benzenedicarboxylic acid linker ligand to cobalt centers. The polymer crystallize in monoclinic P21/n space group with a=13.989(3) Å, b=9.6728(17) Å, c=16.707(3) Å, and Z=2. The polymer features a framework based on the perfect octahedral Co-O6 secondary building units. The catalytic activities of [Co3(BDC)3(DMF)2(H2O)2]n for olefins oxidation was conducted. The heterogeneous catalyst could be facilely separated from the reaction mixture, and reused three times without significant degradation in catalytic activity. Furthermore, no contribution from homogeneous catalysis of active species leaching into reaction solution was detected.

Reflector homogenization

Energy Technology Data Exchange (ETDEWEB)

Sanchez, R.; Ragusa, J.; Santandrea, S. [Commissariat a l' Energie Atomique, Direction de l' Energie Nucleaire, Service d' Etudes de Reacteurs et de Modelisation Avancee, CEA de Saclay, DM2S/SERMA 91 191 Gif-sur-Yvette cedex (France)]. e-mail: richard.sanchez@cea.fr

2004-07-01

The problem of the determination of a homogeneous reflector that preserves a set of prescribed albedo is considered. Duality is used for a direct estimation of the derivatives needed in the iterative calculation of the optimal homogeneous cross sections. The calculation is based on the preservation of collapsed multigroup albedo obtained from detailed reference calculations and depends on the low-order operator used for core calculations. In this work we analyze diffusion and transport as low-order operators and argue that the P{sub 0} transfers are the best choice for the unknown cross sections to be adjusted. Numerical results illustrate the new approach for SP{sub N} core calculations. (Author)

Reflector homogenization

International Nuclear Information System (INIS)

Sanchez, R.; Ragusa, J.; Santandrea, S.

2004-01-01

The problem of the determination of a homogeneous reflector that preserves a set of prescribed albedo is considered. Duality is used for a direct estimation of the derivatives needed in the iterative calculation of the optimal homogeneous cross sections. The calculation is based on the preservation of collapsed multigroup albedo obtained from detailed reference calculations and depends on the low-order operator used for core calculations. In this work we analyze diffusion and transport as low-order operators and argue that the P 0 transfers are the best choice for the unknown cross sections to be adjusted. Numerical results illustrate the new approach for SP N core calculations. (Author)

Hybrid diffusion–transport spatial homogenization method

International Nuclear Information System (INIS)

Kooreman, Gabriel; Rahnema, Farzad

2014-01-01

Highlights: • A new hybrid diffusion–transport homogenization method. • An extension of the consistent spatial homogenization (CSH) transport method. • Auxiliary cross section makes homogenized diffusion consistent with heterogeneous diffusion. • An on-the-fly re-homogenization in transport. • The method is faster than fine-mesh transport by 6–8 times. - Abstract: A new hybrid diffusion–transport homogenization method has been developed by extending the consistent spatial homogenization (CSH) transport method to include diffusion theory. As in the CSH method, an “auxiliary cross section” term is introduced into the source term, making the resulting homogenized diffusion equation consistent with its heterogeneous counterpart. The method then utilizes an on-the-fly re-homogenization in transport theory at the assembly level in order to correct for core environment effects on the homogenized cross sections and the auxiliary cross section. The method has been derived in general geometry and tested in a 1-D boiling water reactor (BWR) core benchmark problem for both controlled and uncontrolled configurations. The method has been shown to converge to the reference solution with less than 1.7% average flux error in less than one third the computational time as the CSH method – 6 to 8 times faster than fine-mesh transport

Catalytic transformation of functionalized carboxylic acids using multifunctional rhenium complexes.

Science.gov (United States)

Naruto, Masayuki; Agrawal, Santosh; Toda, Katsuaki; Saito, Susumu

2017-06-13

Carboxylic acids (CAs) are one of the most ubiquitous and important chemical feedstocks available from biorenewable resources, CO 2 , and the petrochemical industry. Unfortunately, chemoselective catalytic transformations of CH n CO 2 H (n = 1-3) groups into other functionalities remain a significant challenge. Herein, we report rhenium V complexes as extremely effective precatalysts for this purpose. Compared to previously reported heterogeneous and homogeneous catalysts derived from high- or low-valent metals, the present method involves a α-C-H bond functionalization, a hydrogenation, and a hydrogenolysis, which affords functionalized alcohols with a wide substrate scope and high chemoselectivity under relatively mild reaction conditions. The results represent an important step toward a paradigm shift from 'low-valent' to 'high-valent' metal complexes by exploring a new portfolio of selective functional group transformations of highly oxygenated organic substrates, as well as toward the exploitation of CAs as a valuable biorenewable feedstock.

Catalytic dehydroaromatization of n-alkanes by pincer-ligated iridium complexes

Science.gov (United States)

Ahuja, Ritu; Punji, Benudhar; Findlater, Michael; Supplee, Carolyn; Schinski, William; Brookhart, Maurice; Goldman, Alan S.

2011-02-01

Aromatic hydrocarbons are among the most important building blocks in the chemical industry. Benzene, toluene and xylenes are obtained from the high temperature thermolysis of alkanes. Higher alkylaromatics are generally derived from arene-olefin coupling, which gives branched products—that is, secondary alkyl arenes—with olefins higher than ethylene. The dehydrogenation of acyclic alkanes to give alkylaromatics can be achieved using heterogeneous catalysts at high temperatures, but with low yields and low selectivity. We present here the first catalytic conversion of n-alkanes to alkylaromatics using homogeneous or molecular catalysts—specifically ‘pincer’-ligated iridium complexes—and olefinic hydrogen acceptors. For example, the reaction of n-octane affords up to 86% yield of aromatic product, primarily o-xylene and secondarily ethylbenzene. In the case of n-decane and n-dodecane, the resulting alkylarenes are exclusively unbranched (that is, n-alkyl-substituted), with selectivity for the corresponding o-(n-alkyl)toluene.

Heterogeneous catalytic materials solid state chemistry, surface chemistry and catalytic behaviour

CERN Document Server

Busca, Guido

2014-01-01

Heterogeneous Catalytic Materials discusses experimental methods and the latest developments in three areas of research: heterogeneous catalysis; surface chemistry; and the chemistry of catalysts. Catalytic materials are those solids that allow the chemical reaction to occur efficiently and cost-effectively. This book provides you with all necessary information to synthesize, characterize, and relate the properties of a catalyst to its behavior, enabling you to select the appropriate catalyst for the process and reactor system. Oxides (used both as catalysts and as supports for cata

Electro-magnetostatic homogenization of bianisotropic metamaterials

OpenAIRE

Fietz, Chris

2012-01-01

We apply the method of asymptotic homogenization to metamaterials with microscopically bianisotropic inclusions to calculate a full set of constitutive parameters in the long wavelength limit. Two different implementations of electromagnetic asymptotic homogenization are presented. We test the homogenization procedure on two different metamaterial examples. Finally, the analytical solution for long wavelength homogenization of a one dimensional metamaterial with microscopically bi-isotropic i...

Kinetic and catalytic performance of a BI-porous composite material in catalytic cracking and isomerisation reactions

KAUST Repository

Al-Khattaf, S.

2012-01-10

Catalytic behaviour of pure zeolite ZSM-5 and a bi-porous composite material (BCM) were investigated in transformation of m-xylene, while zeolite HY and the bi-porous composite were used in the cracking of 1,3,5-triisopropylbenzene (TIPB). The micro/mesoporous material was used to understand the effect of the presence of mesopores on these reactions. Various characterisation techniques, that is, XRD, SEM, TGA, FT-IR and nitrogen sorption measurements were applied for complete characterisation of the catalysts. Catalytic tests using CREC riser simulator showed that the micro/mesoporous composite catalyst exhibited higher catalytic activity as compared with the conventional microporous ZSM-5 and HY zeolite for transformation of m-xylene and for the catalytic cracking of TIPB, respectively. The outstanding catalytic reactivity of m-xylene and TIPB molecules were mainly attributed to the easier access of active sites provided by the mesopores. Apparent activation energies for the disappearance of m-xylene and TIPB over all catalysts were found to decrease in the order: EBCM>EZSM-5 and EBCM>EHY, respectively. © 2012 Canadian Society for Chemical Engineering.

Catalytic modification of cellulose and hemicellulose - Sugarefine

Energy Technology Data Exchange (ETDEWEB)

Repo, T. [Helsinki Univ. (Finland),Laboratory of Inorganic Chemistry], email: timo.repo@helsinki.fi

2012-07-01

The main goal of the project is to develop catalytic methods for the modification of lignocellulose-based saccharides in the biorefineries. The products of these reactions could be used for example as biofuel components, raw materials for the chemical industry, solvents and precursors for biopolymers. The catalyst development aims at creating efficient, selective and green catalytic methods for profitable use in biorefineries. The project is divided in three work packages: In WP1 (Catalytic dehydration of cellulose) the aim is at developing non-toxic, efficient methods for the catalytic dehydration of cellulose the target molecule being here 5-hydroxymethylfurfural (5-HMF). 5-HMF is an interesting platform chemical for the production of fuel additives, solvents and polymers. In WP2 (Catalytic reduction), the objective of the catalytic reduction studies is to produce commercially interesting monofunctional chemicals, such as 1-butanol or 2-methyltetrahydrofuran (2-MeTHF). In WP3 (Catalytic oxidation), the research focuses on developing a green and efficient oxidation method for producing acids. Whereas acetic and formic acids are bulk chemicals, diacids such as glucaric and xylaric acids are valuable specialty chemicals for detergent, polymer and food production.

Experiment and modeling of low-concentration methane catalytic combustion in a fluidized bed reactor

International Nuclear Information System (INIS)

Yang, Zhongqing; Yang, Peng; Zhang, Li; Guo, Mingnv; Ran, Jingyu

2016-01-01

Highlights: • The catalytic combustion of 0.15~3 vol. % low concentration methane in a fluidized bed was studied. • A mathematical model was proposed on the basis of gas–solid flow theory. • A comparative analysis of the established model with plug flow, mixed flow and K-L models was carried out. • The axial methane profile along fluidized bed was predicted by using the mathematical model. • The bed temperature has greater impact on methane conversion than fluidized velocity. - Abstract: This study undertakes a theoretical analysis and an experimental investigation into the characteristics of low-concentration methane catalytic combustion in a bubbling fluidized bed reactor using 0.5 wt.% Pd/Al_2O_3 as catalytic particles. A mathematical model is established based on gas–solid flow theory and is used to study the effects of bed temperature and fluidized velocity on methane catalytic combustion, and predict the dimensionless methane concentration axial profile in reactor. It is shown that methane conversion increases with bed temperature, but decreases with increasing fluidized velocity. These theoretical results are found to correlate well with the experimental measurement, with a deviation within 5%. A comparative analysis of the developed model with plug flow, mixed flow and K-L models is also carried out, and this further verifies that the established model better reflects the characteristics of low-concentration methane catalytic combustion in a bubbling fluidized bed. Using this reaction model, it was found that the difference in methane conversion between dense and freeboard zones gradually increases with bed temperature; the dense zone reaction levels off at 650 °C, thereby minimizing the difference between the dense and freeboard regions to around 15%. With an increase in bed temperature, the dimensionless methane concentration in the dense zone decreases exponentially, while in the splash zone, it varies from an exponential decay to a slow

Continuous production of bio-oil by catalytic liquefaction from wet distiller’s grain with solubles (WDGS) from bio-ethanol production

International Nuclear Information System (INIS)

Toor, Saqib Sohail; Rosendahl, Lasse; Nielsen, Mads Pagh; Glasius, Marianne; Rudolf, Andreas; Iversen, Steen Brummerstedt

2012-01-01

Bio-refinery concepts are currently receiving much attention due to the drive toward flexible, highly efficient systems for utilization of biomass for food, feed, fuel and bio-chemicals. One way of achieving this is through appropriate process integration, in this particular case combining enzymatic bio-ethanol production with catalytic liquefaction of the wet distillers grains with soluble, a byproduct from the bio-ethanol process. The catalytic liquefaction process is carried out at sub-critical conditions (280–370 °C and 25 MPa) in the presence of a homogeneous alkaline and a heterogeneous Zirconia catalyst, a process known as the Catliq ® process. In the current work, catalytic conversion of WDGS was performed in a continuous pilot plant with a maximum capacity of 30 dm 3 h −1 of wet biomass. In the process, WDGS was converted to bio-oil, gases and water-soluble organic compounds. The oil obtained was characterized using several analysis methods, among them elementary analysis and GC–MS. The study shows that WDGS can be converted to bio oil with high yields. The results also indicate that through the combination of bio-ethanol production and catalytic liquefaction, it is possible to significantly increase the liquid product yield and scope, opening up for a wider end use applicability. -- Highlights: ► Hydrothermal liquefaction of wet biomass. ► Product phase analysis: oil, acqeous, gas and mineral phase. ► Energy and mass balance evaluation.

Homogeneous catalytic hydrogenation of bio-oil and related model aldehydes with RuCl{sub 2}(PPh{sub 3}){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Huang, F.; Li, W.; Lu, Q.; Zhu, X. [Anhui Province Key Laboratory of Biomass Clean Energy, University of Science and Technology of China, Hefei (China)

2010-12-15

A homogeneous RuCl{sub 2}(PPh{sub 3}){sub 3} catalyst was prepared for the hydrogenation of bio-oil to improve its stability and fuel quality. Experiments were first performed on three model aldehydes of acetaldehyde, furfural and vanillin selected to represent the linear aldehydes, oxygen heterocyclic aldehydes and aromatic aldehydes in bio-oil. The results demonstrated the high hydrogenation capability of this homogeneous catalyst under mild conditions (55-90 C, 1.3-3.3 MPa). The highest conversion of the three model aldehydes was over 90 %. Furfural and acetaldehyde were singly converted to furfuryl alcohol and ethanol after hydrogenation, while vanillin was mainly converted to vanillin alcohol, together with a small amount of 2-methoxy-4-methylphenol and 2-methoxyphenol. Further experiments were conducted on a bio-oil fraction extracted by ethyl acetate and on the whole bio-oil at 70 C and 3.3 MPa. Most of the aldehydes were transformed to the corresponding alcohols, and some ketones and compounds with C-C double bond were converted to more stable compounds. (Copyright copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Synergism between anodic oxidation with diamond anodes and heterogeneous catalytic photolysis for the treatment of pharmaceutical pollutants

Directory of Open Access Journals (Sweden)

Juan M. Peralta-Hernández

2016-03-01

Full Text Available The mineralization of diclofenac and acetaminophen has been studied by single anodic oxidation with boron-doped diamond (AO-BDD using an undivided electrolysis cell, by single heterogeneous catalytic photolysis with titanium dioxide (HCP-TiO2 and by the combination of both advanced oxidation processes. The results show that mineralization can be obtained with either single technology. The type of functional groups of the pollutant does not influence the results of the single AO-BDD process, but it has a significant influence on the results obtained with HCP-TiO2. A clear synergistic effect appears when both processes are combined showing improvements in the oxidation rate of more than 50% for diclofenac and nearly 200% for acetaminophen at the highest current exerted. Results obtained are explained in terms of the production of oxidants on the surface of BDD (primarily peroxodisulfate and the later homogeneous catalytic light decomposition of these oxidants in the bulk. This mechanism is consistent with the larger improvement observed at higher current densities, for which the production of oxidants is promoted.

Fabrication of ammonium perchlorate/copper-chromium oxides core-shell nanocomposites for catalytic thermal decomposition of ammonium perchlorate

Energy Technology Data Exchange (ETDEWEB)

Eslami, Abbas, E-mail: eslami@umz.ac.ir [Department of Inorganic Chemistry, Faculty of Chemistry, University of Mazandaran, P.O.Box 47416-95447, Babolsar (Iran, Islamic Republic of); Juibari, Nafise Modanlou [Department of Inorganic Chemistry, Faculty of Chemistry, University of Mazandaran, P.O.Box 47416-95447, Babolsar (Iran, Islamic Republic of); Hosseini, Seyed Ghorban [Department of Chemistry, Malek Ashtar University of Technology, P.O. Box 16765-3454, Tehran (Iran, Islamic Republic of)

2016-09-15

The ammonium perchlorate/Cu(II)-Cr(III)-oxides(AP/Cu-Cr-O) core-shell nanocomposites were in-situ prepared by deposition of copper and chromium oxides on suspended ammonium perchlorate particles in ethyl acetate as solvent. The results of differential scanning calorimetery (DSC) and thermal gravimetric analysis (TGA) experiments showed that the nanocomposites have excellent catalytic effect on the thermal decomposition of AP, so that the released heat increases up to about 3-fold over initial values, changing from 450 J/g for pure AP to 1510 J/g for most appropriate mixture. For better comparison, single metal oxide/AP core-shell nanocomposite have also been prepared and the results showed that they have less catalytic effect respect to mixed metal oxides system. Scanning electron microscopy (SEM) results revealed homogenous deposition of nanoparticles on the surface of AP and fabrication of core-shell structures. The kinetic parameters of thermal decomposition of both pure AP and AP/Cu-Cr-O samples have been calculated by Kissinger method and the results showed that the values of pre-exponential factor and activation energy are higher for AP/Cu-Cr-O nanocomposite. The better catalytic effect of Cu-Cr-O nanocomposites is probably attributed to the synergistic effect between Cu{sup 2+} and Cr{sup 3+} in the nanocomposites, smaller particle size and more crystal defect. - Highlights: • The Cu-Cr-O nanoparticles were synthesized by chemical liquid deposition method. • Then, the AP/Cu-Cr-O core-shell nanocomposites were prepared. • The core-shell samples showed high catalytic activity for AP decomposition. • Thermal decomposition of samples occurs at lower temperature range.

Engineering reactors for catalytic reactions

Indian Academy of Sciences (India)

Extensive studies have been conducted to establish sound basis for design and engineering of reactors for practising such catalytic reactions and for realizing improvements in reactor performance. In this article, application of recent (and not so recent) developments in engineering reactors for catalytic reactions is ...

Bilipschitz embedding of homogeneous fractals

OpenAIRE

Lü, Fan; Lou, Man-Li; Wen, Zhi-Ying; Xi, Li-Feng

2014-01-01

In this paper, we introduce a class of fractals named homogeneous sets based on some measure versions of homogeneity, uniform perfectness and doubling. This fractal class includes all Ahlfors-David regular sets, but most of them are irregular in the sense that they may have different Hausdorff dimensions and packing dimensions. Using Moran sets as main tool, we study the dimensions, bilipschitz embedding and quasi-Lipschitz equivalence of homogeneous fractals.

Homogeneous anisotropic solutions of topologically massive gravity with a cosmological constant and their homogeneous deformations

International Nuclear Information System (INIS)

Moutsopoulos, George

2013-01-01

We solve the equations of topologically massive gravity (TMG) with a potentially non-vanishing cosmological constant for homogeneous metrics without isotropy. We only reproduce known solutions. We also discuss their homogeneous deformations, possibly with isotropy. We show that de Sitter space and hyperbolic space cannot be infinitesimally homogeneously deformed in TMG. We clarify some of their Segre–Petrov types and discuss the warped de Sitter spacetime. (paper)

Homogeneous anisotropic solutions of topologically massive gravity with a cosmological constant and their homogeneous deformations

Science.gov (United States)

Moutsopoulos, George

2013-06-01

We solve the equations of topologically massive gravity (TMG) with a potentially non-vanishing cosmological constant for homogeneous metrics without isotropy. We only reproduce known solutions. We also discuss their homogeneous deformations, possibly with isotropy. We show that de Sitter space and hyperbolic space cannot be infinitesimally homogeneously deformed in TMG. We clarify some of their Segre-Petrov types and discuss the warped de Sitter spacetime.

Structured materials for catalytic and sensing applications

Science.gov (United States)

Hokenek, Selma

been synthesized and characterized to establish the effects of nanoparticle size on catalytic activity in methanol decomposition. The physicochemical properties of the synthesized palladium-nickel nanoparticles will be discussed, as a function of the synthesis parameters. The optical characteristics of the Ag and Pd nanoparticles will be determined, with a view toward tuning the response of the nanoparticles for incorporation in sensors. Analysis of the monometallic palladium particles revealed a dependence of syngas production on nanoparticle size. The peak and steady state TOFs increased roughly linearly with the average nanoparticle diameter. The amount of coke deposited on the particle surfaces was found to be independent on the size of the nanoparticles. Shape control of the nickel-palladium nanoparticles with a high selectivity for (100) and (110) facets (≤ 80%) has been demonstrated. The resulting alloy nanoparticles were found to have homogeneous composition throughout their volume and maintain FCC crystal structure. Substitution of Ni atoms in the Pd lattice at a 1:3 molar ratio was found to induce lattice strains of ~1%. The Ag nanocubes synthesized exhibited behavior very similar to literature values, when taken on their own, exhibiting a pair of distinct absorbance peaks at 350 nm and 455 nm. In physical mixtures with the Pd nanoparticles synthesized, their behavior showed that the peak position of the Ag nanocubes' absorbance in UV-Vis could be tuned based on the relative proportions of the Ag and Pd nanoparticles present in the suspension analysed. The Ag polyhedra synthesized for comparison showed a broad doublet peak throughout the majority of the visible range before testing as a component in a physical mixture with the Pd nanoparticles. The addition of Pd nanoparticles to form a physical mixture resulted in some damping of the doublet peak observed as well as a corresponding shift in the baseline absorbance proportional to the amount of Pd added to

Benchmarking homogenization algorithms for monthly data

Science.gov (United States)

Venema, V. K. C.; Mestre, O.; Aguilar, E.; Auer, I.; Guijarro, J. A.; Domonkos, P.; Vertacnik, G.; Szentimrey, T.; Stepanek, P.; Zahradnicek, P.; Viarre, J.; Müller-Westermeier, G.; Lakatos, M.; Williams, C. N.; Menne, M. J.; Lindau, R.; Rasol, D.; Rustemeier, E.; Kolokythas, K.; Marinova, T.; Andresen, L.; Acquaotta, F.; Fratiannil, S.; Cheval, S.; Klancar, M.; Brunetti, M.; Gruber, C.; Prohom Duran, M.; Likso, T.; Esteban, P.; Brandsma, T.; Willett, K.

2013-09-01

The COST (European Cooperation in Science and Technology) Action ES0601: Advances in homogenization methods of climate series: an integrated approach (HOME) has executed a blind intercomparison and validation study for monthly homogenization algorithms. Time series of monthly temperature and precipitation were evaluated because of their importance for climate studies. The algorithms were validated against a realistic benchmark dataset. Participants provided 25 separate homogenized contributions as part of the blind study as well as 22 additional solutions submitted after the details of the imposed inhomogeneities were revealed. These homogenized datasets were assessed by a number of performance metrics including i) the centered root mean square error relative to the true homogeneous values at various averaging scales, ii) the error in linear trend estimates and iii) traditional contingency skill scores. The metrics were computed both using the individual station series as well as the network average regional series. The performance of the contributions depends significantly on the error metric considered. Although relative homogenization algorithms typically improve the homogeneity of temperature data, only the best ones improve precipitation data. Moreover, state-of-the-art relative homogenization algorithms developed to work with an inhomogeneous reference are shown to perform best. The study showed that currently automatic algorithms can perform as well as manual ones.

Synthesis, spectroscopic characterization and catalytic oxidation ...

Indian Academy of Sciences (India)

were characterized by infrared, electronic, electron paramagnetic resonance ... The catalytic oxidation property of ruthenium(III) complexes were also ... cies at room temperature. ..... aldehyde part of Schiff base ligands, catalytic activ- ity of new ...

Homogenization of resonant chiral metamaterials

OpenAIRE

Andryieuski, Andrei; Menzel, Christoph; Rockstuhl, Carsten; Malureanu, Radu; Lederer, Falk; Lavrinenko, Andrei

2010-01-01

Homogenization of metamaterials is a crucial issue as it allows to describe their optical response in terms of effective wave parameters as e.g. propagation constants. In this paper we consider the possible homogenization of chiral metamaterials. We show that for meta-atoms of a certain size a critical density exists above which increasing coupling between neighboring meta-atoms prevails a reasonable homogenization. On the contrary, a dilution in excess will induce features reminiscent to pho...

Catalytic exhaust control

Energy Technology Data Exchange (ETDEWEB)

Heinemann, H

1973-09-01

Recent achievements and problems in the development of exhaust control devices in the USA are reviewed. To meet the 1976 emission standards, catalytic systems for the oxidation of carbon monoxide and hydrocarbons and for the reduction of nitrogen oxides to nitrogen and water are needed. While oxidizing catalysts using platinum, palladium, copper, vanadium, and chromium appplied on alumina or ceramic materials are more or less effective in emission control, there are no catalytic devices for the reduction of nitrogen oxides with the required useful life of 25,000 to 50,000 miles as yet available. In the case of platinum catalysts on monolithic supports, the operating temperature of 650 to 750/sup 0/C as required for the oxidation process may cause inactivation of the catalysts and fusion of the support material. The oxidation of CO and hydrocarbons is inhibited by high concentrations of CO, nitric oxide, and hydrocarbons. The use of catalytic converters requires the use of lead-free or low-lead gasoline. The nitrogen oxides conversion efficiency is considerably influenced by the oxygen-to-CO ratio of the exhaust gas, which makes limitation of this ratio necessary.

Homogeneous and heterogeneous catalysts of Fe3+, Co2+ and Cu2+ for the degradation of methyl parathion in diluted aqueous medium

Directory of Open Access Journals (Sweden)

Cindy A. Vela-Monroy

2016-07-01

Full Text Available Degradation of pesticides (plaguicides, herbicides, fungicides, among others in aqueous media is a subject of great importance for ensuring the water quality into numerous hydric sources. This work reports the assessment of homogeneous (metal ion solutions and heterogeneous (oxides supported on alumina systems that are based on Fe3+, Co2+ y Cu2+, which were used as catalysts for oxidation (degradation of methyl parathion (a plaguicide in aqueous solution. Hydrogen peroxide was herein used as oxidizing molecule under mild condition of reaction (25 ºC and atmospheric pressure. The solids were characterized by X-ray diffraction (XRD and scanning electron microscopy (SEM. Fe3+/H2O2 (Fenton system was the most active homogeneous catalyst compared to Co2+/H2O2 and Cu2+/H2O2 systems. Solids catalysts such as cobalt, copper or iron oxides as well as mixed oxides supported on alumina were active at pH close to neutrality. Fe-Co-Cu/Al2O3, Co-Cu/Al2O3 and FeCo/Al2O3 mixed systems were solids with the highest catalytic activity. In addition, an important effect of the support (-Al2O3 on the reaction pH was observed, allowing to reach values close to that of the neutrality, and thus increasing the catalytic activity of both cobalt oxide and copper oxide species. These results allow advancing on a new pathway for searching catalysts to remove organophosphorous pesticides from residual waters.

Catalytic Wittig and aza-Wittig reactions

Directory of Open Access Journals (Sweden)

Zhiqi Lao

2016-11-01

Full Text Available This review surveys the literature regarding the development of catalytic versions of the Wittig and aza-Wittig reactions. The first section summarizes how arsenic and tellurium-based catalytic Wittig-type reaction systems were developed first due to the relatively easy reduction of the oxides involved. This is followed by a presentation of the current state of the art regarding phosphine-catalyzed Wittig reactions. The second section covers the field of related catalytic aza-Wittig reactions that are catalyzed by both phosphine oxides and phosphines.

Efficient catalytic combustion in integrated micropellistors

International Nuclear Information System (INIS)

Bársony, I; Ádám, M; Fürjes, P; Dücső, Cs; Lucklum, R; Hirschfelder, M; Kulinyi, S

2009-01-01

This paper analyses two of the key issues of the development of catalytic combustion-type sensors: the selection and production of active catalytic particles on the micropellistor surface as well as the realization of a reliable thermal conduction between heater element and catalytic surface, for the sensing of temperature increase produced by the combustion. The report also demonstrates that chemical sensor product development by a MEMS process is a continuous struggle for elimination of all uncertainties influencing reliability and sensitivity of the final product

Adsorbent catalytic nanoparticles and methods of using the same

Energy Technology Data Exchange (ETDEWEB)

Slowing, Igor Ivan; Kandel, Kapil

2017-01-31

The present invention provides an adsorbent catalytic nanoparticle including a mesoporous silica nanoparticle having at least one adsorbent functional group bound thereto. The adsorbent catalytic nanoparticle also includes at least one catalytic material. In various embodiments, the present invention provides methods of using and making the adsorbent catalytic nanoparticles. In some examples, the adsorbent catalytic nanoparticles can be used to selectively remove fatty acids from feedstocks for biodiesel, and to hydrotreat the separated fatty acids.

Homogenization of neutronic diffusion models

International Nuclear Information System (INIS)

Capdebosq, Y.

1999-09-01

In order to study and simulate nuclear reactor cores, one needs to access the neutron distribution in the core. In practice, the description of this density of neutrons is given by a system of diffusion equations, coupled by non differential exchange terms. The strong heterogeneity of the medium constitutes a major obstacle to the numerical computation of this models at reasonable cost. Homogenization appears as compulsory. Heuristic methods have been developed since the origin by nuclear physicists, under a periodicity assumption on the coefficients. They consist in doing a fine computation one a single periodicity cell, to solve the system on the whole domain with homogeneous coefficients, and to reconstruct the neutron density by multiplying the solutions of the two computations. The objectives of this work are to provide mathematically rigorous basis to this factorization method, to obtain the exact formulas of the homogenized coefficients, and to start on geometries where two periodical medium are placed side by side. The first result of this thesis concerns eigenvalue problem models which are used to characterize the state of criticality of the reactor, under a symmetry assumption on the coefficients. The convergence of the homogenization process is proved, and formulas of the homogenized coefficients are given. We then show that without symmetry assumptions, a drift phenomenon appears. It is characterized by the mean of a real Bloch wave method, which gives the homogenized limit in the general case. These results for the critical problem are then adapted to the evolution model. Finally, the homogenization of the critical problem in the case of two side by side periodic medium is studied on a one dimensional on equation model. (authors)

Boosting Chemical Stability, Catalytic Activity, and Enantioselectivity of Metal-Organic Frameworks for Batch and Flow Reactions.

Science.gov (United States)

Chen, Xu; Jiang, Hong; Hou, Bang; Gong, Wei; Liu, Yan; Cui, Yong

2017-09-27

A key challenge in heterogeneous catalysis is the design and synthesis of heterogeneous catalysts featuring high catalytic activity, selectivity, and recyclability. Here we demonstrate that high-performance heterogeneous asymmetric catalysts can be engineered from a metal-organic framework (MOF) platform by using a ligand design strategy. Three porous chiral MOFs with the framework formula [Mn 2 L(H 2 O) 2 ] are prepared from enantiopure phosphono-carboxylate ligands of 1,1'-biphenol that are functionalized with 3,5-bis(trifluoromethyl)-, bismethyl-, and bisfluoro-phenyl substituents at the 3,3'-position. For the first time, we show that not only chemical stability but also catalytic activity and stereoselectivity of the MOFs can be tuned by modifying the ligand structures. Particularly, the MOF incorporated with -CF 3 groups on the pore walls exhibits enhanced tolerance to water, weak acid, and base compared with the MOFs with -F and -Me groups. Under both batch and flow reaction systems, the CF 3 -containing MOF demonstrated excellent reactivity, selectivity, and recyclability, affording high yields and enantioselectivities for alkylations of indoles and pyrrole with a range of ketoesters or nitroalkenes. In contrast, the corresponding homogeneous catalysts gave low enantioselectivity in catalyzing the tested reactions.

Orthogonality Measurement for Homogenous Projects-Bases

Science.gov (United States)

Ivan, Ion; Sandu, Andrei; Popa, Marius

2009-01-01

The homogenous projects-base concept is defined. Next, the necessary steps to create a homogenous projects-base are presented. A metric system is built, which then will be used for analyzing projects. The indicators which are meaningful for analyzing a homogenous projects-base are selected. The given hypothesis is experimentally verified. The…

Catalytic cracking models developed for predictive control purposes

Directory of Open Access Journals (Sweden)

Dag Ljungqvist

1993-04-01

Full Text Available The paper deals with state-space modeling issues in the context of model-predictive control, with application to catalytic cracking. Emphasis is placed on model establishment, verification and online adjustment. Both the Fluid Catalytic Cracking (FCC and the Residual Catalytic Cracking (RCC units are discussed. Catalytic cracking units involve complex interactive processes which are difficult to operate and control in an economically optimal way. The strong nonlinearities of the FCC process mean that the control calculation should be based on a nonlinear model with the relevant constraints included. However, the model can be simple compared to the complexity of the catalytic cracking plant. Model validity is ensured by a robust online model adjustment strategy. Model-predictive control schemes based on linear convolution models have been successfully applied to the supervisory dynamic control of catalytic cracking units, and the control can be further improved by the SSPC scheme.

Analytical solutions of time-fractional models for homogeneous Gardner equation and non-homogeneous differential equations

Directory of Open Access Journals (Sweden)

Olaniyi Samuel Iyiola

2014-09-01

Full Text Available In this paper, we obtain analytical solutions of homogeneous time-fractional Gardner equation and non-homogeneous time-fractional models (including Buck-master equation using q-Homotopy Analysis Method (q-HAM. Our work displays the elegant nature of the application of q-HAM not only to solve homogeneous non-linear fractional differential equations but also to solve the non-homogeneous fractional differential equations. The presence of the auxiliary parameter h helps in an effective way to obtain better approximation comparable to exact solutions. The fraction-factor in this method gives it an edge over other existing analytical methods for non-linear differential equations. Comparisons are made upon the existence of exact solutions to these models. The analysis shows that our analytical solutions converge very rapidly to the exact solutions.

Effect of inlet cone pipe angle in catalytic converter

Science.gov (United States)

Amira Zainal, Nurul; Farhain Azmi, Ezzatul; Arifin Samad, Mohd

2018-03-01

The catalytic converter shows significant consequence to improve the performance of the vehicle start from it launched into production. Nowadays, the geometric design of the catalytic converter has become critical to avoid the behavior of backpressure in the exhaust system. The backpressure essentially reduced the performance of vehicles and increased the fuel consumption gradually. Consequently, this study aims to design various models of catalytic converter and optimize the volume of fluid flow inside the catalytic converter by changing the inlet cone pipe angles. Three different geometry angles of the inlet cone pipe of the catalytic converter were assessed. The model is simulated in Solidworks software to determine the optimum geometric design of the catalytic converter. The result showed that by decreasing the divergence angle of inlet cone pipe will upsurge the performance of the catalytic converter.

Low Temperature Selective Catalytic Reduction of Nitrogen Oxides in Production of Nitric Acid by the Use of Liquid

Directory of Open Access Journals (Sweden)

Kabljanac, Ž.

2011-11-01

Full Text Available This paper presents the application of low-temperature selective catalytic reduction of nitrous oxides in the tail gas of the dual-pressure process of nitric acid production. The process of selective catalytic reduction is carried out using the TiO2/WO3 heterogeneous catalyst applied on a ceramic honeycomb structure with a high geometric surface area per volume. The process design parameters for nitric acid production by the dual-pressure procedure in a capacity range from 75 to 100 % in comparison with designed capacity for one production line is shown in the Table 1. Shown is the effectiveness of selective catalytic reduction in the temperature range of the tail gas from 180 to 230 °C with direct application of liquid ammonia, without prior evaporation to gaseous state. The results of inlet and outlet concentrations of nitrous oxides in the tail gas of the nitric acid production process are shown in Figures 1 and 2. Figure 3 shows the temperature dependence of the selective catalytic reduction of nitrous oxides expressed as NO2in the tail gas of nitric acid production with the application of a constant mass flow of liquid ammonia of 13,0 kg h-1 and average inlet mass concentration of the nitrous oxides expressed as NO2of 800,0 mgm-3 during 100 % production capacity. The specially designed liquid-ammonia direct-dosing system along with the effective homogenization of the tail gas resulted in emission levels of nitrous oxides expressed as NO2 in tail gas ranging from 100,0 to 185,0 mg m-3. The applied low-temperature selective catalytic reduction of the nitrous oxides in the tail gases by direct use of liquid ammonia is shown in Figure 4. It is shown that low-temperature selective catalytic reduction with direct application of liquid ammonia opens a new opportunity in the reduction of nitrous oxide emissions during nitric acid production without the risk of dangerous ammonium nitrate occurring in the process of subsequent energy utilization of

Catalytic Oxidation of Toluene on Hydrothermally Prepared Ceria Nanocrystals

Directory of Open Access Journals (Sweden)

M. Duplančić

2018-01-01

Full Text Available Ceria nanocrystals were prepared hydrothermally and tested as potential catalysts for oxidation of volatile organic compounds using toluene as a model compound. Pure ceria with a crystallite size of 4 nm, determined by the Scherrer method from XRD pattern has been obtained. The specific surface area of the prepared nanoparticles determined by BET analysis yielded 201 m2 g–1, while the band gap of 3.2 eV was estimated from DRS spectrum via Tauc’s plot. Catalytic tests were performed on calcined ceria (500 °C with increased crystallite size (9 nm caused by thermal treatment. The tests showed good activities for the toluene oxidation with T50 temperatures, corresponding to 50 % toluene conversion, observed at 250 °C and even lower temperatures depending on the total flow rate of the gas mixture. The one-dimensional pseudo-homogeneous model of the fixed bed reactor was proposed to describe the reactor performance and the appropriate kinetic parameters were estimated. Good agreement between experimental data and the proposed model was observed.

Catalytic burners in larger boiler appliances

Energy Technology Data Exchange (ETDEWEB)

Silversand, Fredrik; Persson, Mikael (Catator AB, Lund (Sweden))

2009-02-15

This project focuses on the scale up of a Catator's catalytic burner technology to enable retrofit installation in existing boilers and the design of new innovative combinations of catalytic burners and boilers. Different design approaches are discussed and evaluated in the report and suggestions are made concerning scale-up. Preliminary test data, extracted from a large boiler installation are discussed together with an accurate analysis of technical possibilities following an optimization of the boiler design to benefit from the advantages of catalytic combustion. The experimental work was conducted in close collaboration with ICI Caldaie (ICI), located in Verona, Italy. ICI is a leading European boiler manufacturer in the effect segment ranging from about 20 kWt to several MWt. The study shows that it is possibly to scale up the burner technology and to maintain low emissions. The boilers used in the study were designed around conventional combustion and were consequently not optimized for implementation of catalytic burners. From previous experiences it stands clear that the furnace volume can be dramatically decreased when applying catalytic combustion. In flame combustion, this volume is normally dimensioned to avoid flame impingement on cold surfaces and to facilitate completion of the gas-phase reactions. The emissions of nitrogen oxides can be reduced by decreasing the residence time in the furnace. Even with the over-dimensioned furnace used in this study, we easily reached emission values close to 35 mg/kWh. The emissions of carbon monoxide and unburned hydrocarbons were negligible (less than 5 ppmv). It is possible to decrease the emissions of nitrogen oxides further by designing the furnace/boiler around the catalytic burner, as suggested in the report. Simultaneously, the size of the boiler installation can be reduced greatly, which also will result in material savings, i.e. the production cost can be reduced. It is suggested to optimize the

Homogeneous Spaces and Equivariant Embeddings

CERN Document Server

Timashev, DA

2011-01-01

Homogeneous spaces of linear algebraic groups lie at the crossroads of algebraic geometry, theory of algebraic groups, classical projective and enumerative geometry, harmonic analysis, and representation theory. By standard reasons of algebraic geometry, in order to solve various problems on a homogeneous space it is natural and helpful to compactify it keeping track of the group action, i.e. to consider equivariant completions or, more generally, open embeddings of a given homogeneous space. Such equivariant embeddings are the subject of this book. We focus on classification of equivariant em

Concentric catalytic combustor

Science.gov (United States)

Bruck, Gerald J [Oviedo, FL; Laster, Walter R [Oviedo, FL

2009-03-24

A catalytic combustor (28) includes a tubular pressure boundary element (90) having a longitudinal flow axis (e.g., 56) separating a first portion (94) of a first fluid flow (e.g., 24) from a second portion (95) of the first fluid flow. The pressure boundary element includes a wall (96) having a plurality of separate longitudinally oriented flow paths (98) annularly disposed within the wall and conducting respective portions (100, 101) of a second fluid flow (e.g., 26) therethrough. A catalytic material (32) is disposed on a surface (e.g., 102, 103) of the pressure boundary element exposed to at least one of the first and second portions of the first fluid flow.

Effect of support on the catalytic activity of manganese oxide catalyts for toluene combustion.

Science.gov (United States)

Pozan, Gulin Selda

2012-06-30

The aim of this work was to study combustion of toluene (1000ppm) over MnO(2) modified with different supports. α-Al(2)O(3) and γ-Al(2)O(3) obtained from Boehmite, γ-Al(2)O(3) (commercial), SiO(2), TiO(2) and ZrO(2) were used as commercial support materials. In view of potential interest of this process, the influence of support material on the catalytic performance was discussed. The deposition of 9.5MnO(2) was performed by impregnation over support. The catalysts were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), temperature programmed reduction and oxidation (TPR/TPO) and thermogravimetric analysis (TGA). The catalytic tests were carried out at atmospheric pressure in a fixed-bed flow reactor. 9.5MnO(2)/α-Al(2)O(3)(B) (synthesized from Boehmite) catalyst exhibits the highest catalytic activity, over which the toluene conversion was up to 90% at a temperature of 289°C. Considering all the characterization and reaction data reported in this study, it was concluded that the manganese state and oxygen species played an important role in the catalytic activity. Copyright © 2012 Elsevier B.V. All rights reserved.

Catalytic models developed through social work

DEFF Research Database (Denmark)

Jensen, Mogens

2015-01-01

of adolescents placed in out-of-home care and is characterised using three situated cases as empirical data. Afterwards the concept of catalytic processes is briefly presented and then applied in an analysis of pedagogical treatment in the three cases. The result is a different conceptualisation of the social......The article develops the concept of catalytic processes in relation to social work with adolescents in an attempt to both reach a more nuanced understanding of social work and at the same time to develop the concept of catalytic processes in psychology. The social work is pedagogical treatment...

Internal homogenization: effective permittivity of a coated sphere.

Science.gov (United States)

Chettiar, Uday K; Engheta, Nader

2012-10-08

The concept of internal homogenization is introduced as a complementary approach to the conventional homogenization schemes, which could be termed as external homogenization. The theory for the internal homogenization of the permittivity of subwavelength coated spheres is presented. The effective permittivity derived from the internal homogenization of coreshells is discussed for plasmonic and dielectric constituent materials. The effective model provided by the homogenization is a useful design tool in constructing coated particles with desired resonant properties.

Homogenization methods for heterogeneous assemblies

International Nuclear Information System (INIS)

Wagner, M.R.

1980-01-01

The third session of the IAEA Technical Committee Meeting is concerned with the problem of homogenization of heterogeneous assemblies. Six papers will be presented on the theory of homogenization and on practical procedures for deriving homogenized group cross sections and diffusion coefficients. That the problem of finding so-called ''equivalent'' diffusion theory parameters for the use in global reactor calculations is of great practical importance. In spite of this, it is fair to say that the present state of the theory of second homogenization is far from being satisfactory. In fact, there is not even a uniquely accepted approach to the problem of deriving equivalent group diffusion parameters. Common agreement exists only about the fact that the conventional flux-weighting technique provides only a first approximation, which might lead to acceptable results in certain cases, but certainly does not guarantee the basic requirement of conservation of reaction rates

Self-assembled monolayers of perfluoroalkylsilane on plasma-hydroxylated silicon substrates

Energy Technology Data Exchange (ETDEWEB)

Wu, Lin; Cai, Lu; Liu, Anqi; Wang, Wei; Yuan, Yanhua [College of Textile, Clothing Engineering, Soochow University, Suzhou 215021 (China); National Engineering Laboratory for Modern Silk, Suzhou 215123 (China); Li, Zhanxiong, E-mail: lizhanxiong@suda.edu.cn [College of Textile, Clothing Engineering, Soochow University, Suzhou 215021 (China); State Key Laboratory of Disaster Prevention & Mitigation of Explosion & Impact, Nanjing 210007 (China)

2015-09-15

Highlights: • A novel kind of fluoroalkylsilane monomers with different fluoroalkyl chain length was synthesized. • The fluoroalkyl-terminated self-assembled monolayers (SAMs) on silanol-terminated silicon substrates were chemically fabricated using the liquid phase deposition method. • Fluoroalkylsilanes were used for the self-assembly rather than the silane coupling agents and fluorochemicals to fabricate controllable, ordered SAMs. • The angle-dependent XPS study was conducted to investigate the changes of surface structures as well as elemental compositions of the SAMs. • The results indicated that fluoroalkyl groups would migrate from the inner part of the monolayers to the outermost interface after heat treatment, resulting into the microphase separation of the SAMs surface. - Abstract: In this study, a novel kind of fluoroalkylsilane monomers with different fluoroalkyl chain lengths was synthesized via three steps method and characterized by Fourier transform infrared (FT-IR) spectroscopy, {sup 1}H and {sup 19}F nuclear magnetic resonance ({sup 1}H NMR and {sup 19}F NMR), and mass spectra (MS). Fluoroalkyl-terminated self-assembled monolayers (SAMs) on silanol-terminated silicon substrates (O{sub 2} plasma treatment) were chemically fabricated via –Si–O– covalent bonds using the liquid phase deposition method (LPD). The wetabilities of the SAMs were characterized by water contact angles (CA), surface free energies and adhesive force (AF) measurements. 3-(1H,1H,2H,2H-perfluorooctyloxycarbonyl) -propionamidepropyl-triethoxysilane (PFOPT) assembled monolayer was chosen for in-depth investigation as its CA was higher than the others. Attenuated total reflection infrared spectroscopy (ATR-IR) and X-ray photoelectron spectroscopy (XPS) were used to validate the attachment of PFOPT on the silicon substrate, together with the chemical composition and structure of the SAMs. The surface morphologies and roughness of the monolayers were obtained and

Catalytically favorable surface patterns in Pt-Au nanoclusters

KAUST Repository

Mokkath, Junais Habeeb

2013-01-01

Motivated by recent experimental demonstrations of novel PtAu nanoparticles with highly enhanced catalytic properties, we present a systematic theoretical study that explores principal catalytic indicators as a function of the particle size and composition. We find that Pt electronic states in the vicinity of the Fermi level combined with a modified electron distribution in the nanoparticle due to Pt-to-Au charge transfer are the origin of the outstanding catalytic properties. From our model we deduce the catalytically favorable surface patterns that induce ensemble and ligand effects. © The Royal Society of Chemistry 2013.

Homogeneous versus heterogeneous zeolite nucleation

NARCIS (Netherlands)

Dokter, W.H.; Garderen, van H.F.; Beelen, T.P.M.; Santen, van R.A.; Bras, W.

1995-01-01

Aggregates of fractal dimension were found in the intermediate gel phases that organize prior to nucleation and crystallization (shown right) of silicalite from a homogeneous reaction mixture. Small- and wide-angle X-ray scattering studies prove that for zeolites nucleation may be homogeneous or

Surface structural, morphological, and catalytic studies of homogeneously dispersed anisotropic Ag nanostructures within mesoporous silica

Energy Technology Data Exchange (ETDEWEB)

Sareen, Shweta [Thapar University, School of Chemistry and Biochemistry (India); Mutreja, Vishal [Maharishi Markandeshwar University, Department of Chemistry (India); Pal, Bonamali; Singh, Satnam, E-mail: ssingh@thapar.edu [Thapar University, School of Chemistry and Biochemistry (India)

2016-11-15

Highly dispersed anisotropic Ag nanostructures were synthesized within the channels of 3-aminopropyltrimethoxysilane (APTMS)-modified mesoporous SBA-15 for catalyzing the reduction of p-dinitrobenzene, p-nitrophenol, and p-nitroacetophenone, respectively. A green templating process without involving any reducing agent, by varying the amount (1–10 wt.%) of Ag loading followed by calcination at 350 °C under H{sub 2} led to change in the morphology of Ag nanoparticles from nanospheres (~7–8 nm) to nanorods (aspect ratio ~12–30 nm) without any deformation in mesoporous sieves. In comparison to white bare SBA-15, gray-colored samples were formed with Ag impregnation exhibiting absorption bands at 484 and 840 nm indicating the formation of anisotropic Ag nanostructures within mesoporous matrix. TEM and FE-SEM micrographs confirmed the presence of evenly dispersed Ag nanostructures within as well as on the surface of mesoporous matrix. AFM studies indicated a small decrease in the average roughness of SBA-15 from 20.59 to 19.21 nm for 4 wt.% Ag/m-SBA-15, illustrating the encapsulation of majority of Ag nanoparticles in the siliceous matrix and presence of small amount of Ag nanoparticles on the mesoporous support. Moreover, due to plugging of mesopores with Ag, a significant decrease in surface area from 680 m{sup 2}/g of SBA-15 to 385 m{sup 2}/g was observed. The Ag-impregnated SBA-15 catalyst displayed superior catalytic activity than did bare SBA-15 with 4 wt.% Ag-loaded catalyst exhibiting optimum activity for selective reduction of p-nitrophenol to p-aminophenol (100 %), p-nitroacetophenone to p-aminoacetophenone (100 %), and p-dinitrobenzene to p-nitroaniline (87 %), with a small amount of p-phenylenediamine formation.

Turning goals into results: the power of catalytic mechanisms.

Science.gov (United States)

Collins, J

1999-01-01

Most executives have a big, hairy, audacious goal. They write vision statements, formalize procedures, and develop complicated incentive programs--all in pursuit of that goal. In other words, with the best of intentions, they install layers of stultifying bureaucracy. But it doesn't have to be that way. In this article, Jim Collins introduces the catalytic mechanism, a simple yet powerful managerial tool that helps translate lofty aspirations into concrete reality. Catalytic mechanisms are the crucial link between objectives and performance; they are a galvanizing, nonbureaucratic means to turn one into the other. What's the difference between catalytic mechanisms and most traditional managerial controls? Catalytic mechanisms share five characteristics. First, they produce desired results in unpredictable ways. Second, they distribute power for the benefit of the overall system, often to the discomfort of those who traditionally hold power. Third, catalytic mechanisms have teeth. Fourth, they eject "viruses"--those people who don't share the company's core values. Finally, they produce an ongoing effect. Catalytic mechanisms are just as effective for reaching individual goals as they are for corporate ones. To illustrate how catalytic mechanisms work, the author draws on examples of individuals and organizations that have relied on such mechanisms to achieve their goals. The same catalytic mechanism that works in one organization, however, will not necessarily work in another. Catalytic mechanisms must be tailored to specific goals and situations. To help readers get started, the author offers some general principles that support the process of building catalytic mechanisms effectively.

Synthesis of a nano-crystalline solid acid catalyst from fly ash and its catalytic performance

Energy Technology Data Exchange (ETDEWEB)

Chitralekha Khatri; Ashu Rani [Government P.G. College, Kota (India). Environmental Chemistry Laboratory

2008-10-15

The synthesis of nano-crystalline activated fly ash catalyst (AFAC) with crystallite size of 12 nm was carried out by chemical and thermal treatment of fly ash, a waste material generated from coal-burning power plants. Fly ash was chemically activated using sulfuric acid followed by thermal activation at 600{sup o}C. The variation of surface and physico-chemical properties of the fly ash by activation methods resulted in improved acidity and therefore, catalytic activity for acid catalyzed reactions. The AFAC was characterized by X-ray diffraction, FT-IR spectroscopy, N{sub 2}-adsorption-desorption isotherm, scanning electron microscopy, flame atomic absorption spectrophotometry and sulfur content by CHNS/O elemental analysis. It showed amorphous nature due to high silica content (81%) and possessed high BET surface area (120 m{sup 2}/g). The catalyst was found to be highly active solid acid catalyst for liquid phase esterification of salicylic acid with acetic anhydride and methanol giving acetylsalicylic acid and methyl salicylate respectively. A maximum yield of 97% with high purity of acetylsalicylic acid (aspirin) and a very high conversion 87% of salicylic acid to methyl salicylate (oil of wintergreen) was obtained with AFAC. The surface acidity and therefore, catalytic activity in AFAC was originated by increased silica content, hydroxyl content and higher surface area as compared to fly ash. The study shows that coal generated fly ash can be converted into potential solid acid catalyst for acid catalyzed reactions. Furthermore, this catalyst may replace conventional environmentally hazardous homogeneous liquid acids making an ecofriendly; solvent free, atom efficient, solid acid based catalytic process. 27 refs., 5 figs., 2 tabs.

Benchmarking homogenization algorithms for monthly data

Directory of Open Access Journals (Sweden)

V. K. C. Venema

2012-01-01

Full Text Available The COST (European Cooperation in Science and Technology Action ES0601: advances in homogenization methods of climate series: an integrated approach (HOME has executed a blind intercomparison and validation study for monthly homogenization algorithms. Time series of monthly temperature and precipitation were evaluated because of their importance for climate studies and because they represent two important types of statistics (additive and multiplicative. The algorithms were validated against a realistic benchmark dataset. The benchmark contains real inhomogeneous data as well as simulated data with inserted inhomogeneities. Random independent break-type inhomogeneities with normally distributed breakpoint sizes were added to the simulated datasets. To approximate real world conditions, breaks were introduced that occur simultaneously in multiple station series within a simulated network of station data. The simulated time series also contained outliers, missing data periods and local station trends. Further, a stochastic nonlinear global (network-wide trend was added.

Participants provided 25 separate homogenized contributions as part of the blind study. After the deadline at which details of the imposed inhomogeneities were revealed, 22 additional solutions were submitted. These homogenized datasets were assessed by a number of performance metrics including (i the centered root mean square error relative to the true homogeneous value at various averaging scales, (ii the error in linear trend estimates and (iii traditional contingency skill scores. The metrics were computed both using the individual station series as well as the network average regional series. The performance of the contributions depends significantly on the error metric considered. Contingency scores by themselves are not very informative. Although relative homogenization algorithms typically improve the homogeneity of temperature data, only the best ones improve

Atomically Precise Metal Nanoclusters for Catalytic Application

Energy Technology Data Exchange (ETDEWEB)

Jin, Rongchao [Carnegie Mellon Univ., Pittsburgh, PA (United States)

2016-11-18

The central goal of this project is to explore the catalytic application of atomically precise gold nanoclusters. By solving the total structures of ligand-protected nanoclusters, we aim to correlate the catalytic properties of metal nanoclusters with their atomic/electronic structures. Such correlation unravel some fundamental aspects of nanocatalysis, such as the nature of particle size effect, origin of catalytic selectivity, particle-support interactions, the identification of catalytically active centers, etc. The well-defined nanocluster catalysts mediate the knowledge gap between single crystal model catalysts and real-world conventional nanocatalysts. These nanoclusters also hold great promise in catalyzing certain types of reactions with extraordinarily high selectivity. These aims are in line with the overall goals of the catalytic science and technology of DOE and advance the BES mission “to support fundamental research to understand, predict, and ultimately control matter and energy at the level of electrons, atoms, and molecules”. Our group has successfully prepared different sized, robust gold nanoclusters protected by thiolates, such as Au₂₅(SR)₁₈, Au₂₈(SR)₂₀, Au₃₈(SR)₂₄, Au₉₉(SR)₄₂, Au₁₄₄(SR)₆₀, etc. Some of these nanoclusters have been crystallographically characterized through X-ray crystallography. These ultrasmall nanoclusters (< 2 nm diameter) exhibit discrete electronic structures due to quantum size effect, as opposed to quasicontinuous band structure of conventional metal nanoparticles or bulk metals. The available atomic structures (metal core plus surface ligands) of nanoclusters serve as the basis for structure-property correlations. We have investigated the unique catalytic properties of nanoclusters (i.e. not observed in conventional nanogold catalysts) and revealed the structure-selectivity relationships. Highlights of our

A second stage homogenization method

International Nuclear Information System (INIS)

Makai, M.

1981-01-01

A second homogenization is needed before the diffusion calculation of the core of large reactors. Such a second stage homogenization is outlined here. Our starting point is the Floquet theorem for it states that the diffusion equation for a periodic core always has a particular solution of the form esup(j)sup(B)sup(x) u (x). It is pointed out that the perturbation series expansion of function u can be derived by solving eigenvalue problems and the eigenvalues serve to define homogenized cross sections. With the help of these eigenvalues a homogenized diffusion equation can be derived the solution of which is cos Bx, the macroflux. It is shown that the flux can be expressed as a series of buckling. The leading term in this series is the well known Wigner-Seitz formula. Finally three examples are given: periodic absorption, a cell with an absorber pin in the cell centre, and a cell of three regions. (orig.)

Sewage sludge solubilization by high-pressure homogenization.

Science.gov (United States)

Zhang, Yuxuan; Zhang, Panyue; Guo, Jianbin; Ma, Weifang; Fang, Wei; Ma, Boqiang; Xu, Xiangzhe

2013-01-01

The behavior of sludge solubilization using high-pressure homogenization (HPH) treatment was examined by investigating the sludge solid reduction and organics solubilization. The sludge volatile suspended solids (VSS) decreased from 10.58 to 6.67 g/L for the sludge sample with a total solids content (TS) of 1.49% after HPH treatment at a homogenization pressure of 80 MPa with four homogenization cycles; total suspended solids (TSS) correspondingly decreased from 14.26 to 9.91 g/L. About 86.15% of the TSS reduction was attributed to the VSS reduction. The increase of homogenization pressure from 20 to 80 MPa or homogenization cycle number from 1 to 4 was favorable to the sludge organics solubilization, and the protein and polysaccharide solubilization linearly increased with the soluble chemical oxygen demand (SCOD) solubilization. More proteins were solubilized than polysaccharides. The linear relationship between SCOD solubilization and VSS reduction had no significant change under different homogenization pressures, homogenization cycles and sludge solid contents. The SCOD of 1.65 g/L was solubilized for the VSS reduction of 1.00 g/L for the three experimental sludge samples with a TS of 1.00, 1.49 and 2.48% under all HPH operating conditions. The energy efficiency results showed that the HPH treatment at a homogenization pressure of 30 MPa with a single homogenization cycle for the sludge sample with a TS of 2.48% was the most energy efficient.

Kinetic Parameters of Non-Isothermal Thermogravimetric Non-Catalytic and Catalytic Pyrolysis of Empty Fruit Bunch with Alumina by Kissinger and Ozawa Methods

Science.gov (United States)

Rahayu Mohamed, Alina; Li, Nurfahani; Sohaimi, Khairunissa Syairah Ahmad; Izzati Iberahim, Nur; Munirah Rohaizad, Nor; Hamzah, Rosniza

2018-03-01

The non-isothermal thermogravimetric non-catalytic and catalytic empty fruit bunch (EFB) pyrolysis with alumina were performed at different heating rates of 10, 15, 20, 25, 30 and 40 K/min under nitrogen atmosphere at a flow rate of 100 ml/min under dynamic conditions from 301 K to 1273 K. The activation energy were calculated based on Kissinger and Ozawa methods. Both reactions followed first order reactions. By Kissinger method, the activation energy and Ln A values for non-catalytic and catalytic EFB pyrolysis with alumina were 188.69 kJ mol-1 and 201.67 kJ/mol respectively. By Ozawa method, the activation energy values for non-catalytic and catalytic EFB pyrolysis with alumina were 189.13 kJ/mol and 201.44 kJ/mol respectively. The presence of catalyst increased the activation energy values for EFB pyrolysis as calculated by Kissinger and Ozawa methods.

Catalytic Stereoinversion of L-Alanine to Deuterated D-Alanine.

Science.gov (United States)

Moozeh, Kimia; So, Soon Mog; Chin, Jik

2015-08-03

A combination of an achiral pyridoxal analogue and a chiral base has been developed for catalytic deuteration of L-alanine with inversion of stereochemistry to give deuterated D-alanine under mild conditions (neutral pD and 25 °C) without the use of any protecting groups. This system can also be used for catalytic deuteration of D-alanine with retention of stereochemistry to give deuterated D-alanine. Thus a racemic mixture of alanine can be catalytically deuterated to give an enantiomeric excess of deuterated D-alanine. While catalytic deracemization of alanine is forbidden by the second law of thermodynamics, this system can be used for catalytic deracemization of alanine with deuteration. Such green and biomimetic approach to catalytic stereocontrol provides insights into efficient amino acid transformations. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Development of SiO2@TiO2 core-shell nanospheres for catalytic applications

Science.gov (United States)

Kitsou, I.; Panagopoulos, P.; Maggos, Th.; Arkas, M.; Tsetsekou, A.

2018-05-01

Silica-titania core-shell nanospheres, CSNp, were prepared via a simple and environmentally friendly two step route. First, silica cores were prepared through the hydrolysis-condensation reaction of silicic acid in the presence of hyperbranched poly(ethylene)imine (HBPEI) followed by repeating washing, centrifugation and, finally, calcination steps. To create the core-shell structure, various amounts of titanium isopropoxide were added to the cores and after that a HBPEI-water solution was added to hydrolyze the titanium precursor. Washing with ethanol and heat treatment followed. The optimization of processing parameters led to well-developed core-shell structures bearing a homogeneous nanocrystalline anatase coating over each silica core. The photocatalytic activity for NO was examined in a continuous flux photocatalytic reactor under real environmental conditions. The results revealed a very potent photocatalyst as the degradation percentage reached 84.27% for the core-shell material compared to the 82% of pure titania with the photodecomposition rates measured at 0.62 and 0.55 μg·m-2·s-1, respectively. In addition, catalytic activities of the CSNp and pure titania were investigated by monitoring the reduction of 4-nitrophenol to 4-aminophenol by an excess of NaBH4. Both materials exhibited excellent catalytic activity (100%), making the core-shell material a promising alternative catalyst to pure titania for various applications.

Catalytic performance of heterogeneous Rh/C3N4 for the carbonylation of methanol

Science.gov (United States)

Budiman, Anatta Wahyu; Choi, Myoung Jae; Nur, Adrian

2018-02-01

The excess of water in homogeneous the carbonylation of methanol system could increase the amount of by-products formed through water-gas shift reaction and could accelerate the rusting of equipment. Many scientists tried to decrease the content of water in the carbonylation of methanol system by using lithium and iodide promoter that results a moderate catalytic activity in the water content at 2wt%. The heterogenized catalyst offers several distinct advantages such as it was enables increased catalyst concentration in the reaction mixture, which is directly proportional to acetic acid production rate, without the addition of an alkali iodide salt promoter. The heterogeneous catalyst also results in reduced by-product formation. This study is aimed to produce a novel catalyst (Rh/C3N4) with a high selectivity of acetic acid in a relatively lower water and halide content. This novel catalyst performs high conversion and selectivity of acetic acid as the result of the strong ionic bonding of melamine and rhodium complex species that was caused by the presence of methyl iodide species. The CO2 in feed gas significantly decreases the catalytic activity of Rh-melamine because of its inert characteristics. The kinetic test was performed as that the first order kinetic equation. The kinetic tests revealed the reaction route of the the carbonylation of methanol in this system was performed trough the methyl acetate.

A Review on Catalytic Membranes Production and Applications

Directory of Open Access Journals (Sweden)

Heba Abdallah

2017-05-01

Full Text Available The development of the chemical industry regarding reducing the production cost and obtaining a high-quality product with low environmental impact became the essential requirements of the world in these days. The catalytic membrane is considered as one of the new alternative solutions of catalysts problems in the industries, where the reaction and separation can be amalgamated in one unit. The catalytic membrane has numerous advantages such as breaking the thermodynamic equilibrium limitation, increasing conversion rate, reducing the recycle and separation costs. But the limitation or most disadvantages of catalytic membranes related to the high capital costs for fabrication or the fact that manufacturing process is still under development. This review article summarizes the most recent advances and research activities related to preparation, characterization, and applications of catalytic membranes. In this article, various types of catalytic membranes are displayed with different applications and explained the positive impacts of using catalytic membranes in various reactions. Copyright © 2017 BCREC Group. All rights reserved. Received: 1st April 2016; Revised: 14th February 2017; Accepted: 22nd February 2017 How to Cite: Abdallah, H. (2017. A Review on Catalytic Membranes Production and Applications. Bulletin of Chemical Reaction Engineering & Catalysis, 12 (2: 136-156 (doi:10.9767/bcrec.12.2.462.136-156 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.12.2.462.136-156

A literature review on biotic homogenization

OpenAIRE

Guangmei Wang; Jingcheng Yang; Chuangdao Jiang; Hongtao Zhao; Zhidong Zhang

2009-01-01

Biotic homogenization is the process whereby the genetic, taxonomic and functional similarity of two or more biotas increases over time. As a new research agenda for conservation biogeography, biotic homogenization has become a rapidly emerging topic of interest in ecology and evolution over the past decade. However, research on this topic is rare in China. Herein, we introduce the development of the concept of biotic homogenization, and then discuss methods to quantify its three components (...

Assembly homogenization techniques for light water reactor analysis

International Nuclear Information System (INIS)

Smith, K.S.

1986-01-01

Recent progress in development and application of advanced assembly homogenization methods for light water reactor analysis is reviewed. Practical difficulties arising from conventional flux-weighting approximations are discussed and numerical examples given. The mathematical foundations for homogenization methods are outlined. Two methods, Equivalence Theory and Generalized Equivalence Theory which are theoretically capable of eliminating homogenization error are reviewed. Practical means of obtaining approximate homogenized parameters are presented and numerical examples are used to contrast the two methods. Applications of these techniques to PWR baffle/reflector homogenization and BWR bundle homogenization are discussed. Nodal solutions to realistic reactor problems are compared to fine-mesh PDQ calculations, and the accuracy of the advanced homogenization methods is established. Remaining problem areas are investigated, and directions for future research are suggested. (author)

Improving homogeneity by dynamic speed limit systems.

NARCIS (Netherlands)

Nes, N. van Brandenberg, S. & Twisk, D.A.M.

2010-01-01

Homogeneity of driving speeds is an important variable in determining road safety; more homogeneous driving speeds increase road safety. This study investigates the effect of introducing dynamic speed limit systems on homogeneity of driving speeds. A total of 46 subjects twice drove a route along 12

On the Structural Context and Identification of Enzyme Catalytic Residues

Directory of Open Access Journals (Sweden)

Yu-Tung Chien

2013-01-01

Full Text Available Enzymes play important roles in most of the biological processes. Although only a small fraction of residues are directly involved in catalytic reactions, these catalytic residues are the most crucial parts in enzymes. The study of the fundamental and unique features of catalytic residues benefits the understanding of enzyme functions and catalytic mechanisms. In this work, we analyze the structural context of catalytic residues based on theoretical and experimental structure flexibility. The results show that catalytic residues have distinct structural features and context. Their neighboring residues, whether sequence or structure neighbors within specific range, are usually structurally more rigid than those of noncatalytic residues. The structural context feature is combined with support vector machine to identify catalytic residues from enzyme structure. The prediction results are better or comparable to those of recent structure-based prediction methods.

Mechanized syringe homogenization of human and animal tissues.

Science.gov (United States)

Kurien, Biji T; Porter, Andrew C; Patel, Nisha C; Kurono, Sadamu; Matsumoto, Hiroyuki; Scofield, R Hal

2004-06-01

Tissue homogenization is a prerequisite to any fractionation schedule. A plethora of hands-on methods are available to homogenize tissues. Here we report a mechanized method for homogenizing animal and human tissues rapidly and easily. The Bio-Mixer 1200 (manufactured by Innovative Products, Inc., Oklahoma City, OK) utilizes the back-and-forth movement of two motor-driven disposable syringes, connected to each other through a three-way stopcock, to homogenize animal or human tissue. Using this method, we were able to homogenize human or mouse tissues (brain, liver, heart, and salivary glands) in 5 min. From sodium dodecyl sulfate-polyacrylamide gel electrophoresis analysis and a matrix-assisted laser desorption/ionization time-of-flight mass spectrometric enzyme assay for prolidase, we have found that the homogenates obtained were as good or even better than that obtained used a manual glass-on-Teflon (DuPont, Wilmington, DE) homogenization protocol (all-glass tube and Teflon pestle). Use of the Bio-Mixer 1200 to homogenize animal or human tissue precludes the need to stay in the cold room as is the case with the other hands-on homogenization methods available, in addition to freeing up time for other experiments.

Homogeneity and thermodynamic identities in geometrothermodynamics

Energy Technology Data Exchange (ETDEWEB)

Quevedo, Hernando [Universidad Nacional Autonoma de Mexico, Instituto de Ciencias Nucleares (Mexico); Universita di Roma ' ' La Sapienza' ' , Dipartimento di Fisica, Rome (Italy); ICRANet, Rome (Italy); Quevedo, Maria N. [Universidad Militar Nueva Granada, Departamento de Matematicas, Facultad de Ciencias Basicas, Bogota (Colombia); Sanchez, Alberto [CIIDET, Departamento de Posgrado, Queretaro (Mexico)

2017-03-15

We propose a classification of thermodynamic systems in terms of the homogeneity properties of their fundamental equations. Ordinary systems correspond to homogeneous functions and non-ordinary systems are given by generalized homogeneous functions. This affects the explicit form of the Gibbs-Duhem relation and Euler's identity. We show that these generalized relations can be implemented in the formalism of black hole geometrothermodynamics in order to completely fix the arbitrariness present in Legendre invariant metrics. (orig.)

Recent developments in the production of liquid fuels via catalytic conversion of microalgae: experiments and simulations

Energy Technology Data Exchange (ETDEWEB)

Shi, Fan; Wang, Pin; Duan, Yuhua; Link, Dirk; Morreale, Bryan

2012-01-01

Due to continuing high demand, depletion of non-renewable resources and increasing concerns about climate change, the use of fossil fuel-derived transportation fuels faces relentless challenges both from a world markets and an environmental perspective. The production of renewable transportation fuel from microalgae continues to attract much attention because of its potential for fast growth rates, high oil content, ability to grow in unconventional scenarios, and inherent carbon neutrality. Moreover, the use of microalgae would minimize ‘‘food versus fuel’’ concerns associated with several biomass strategies, as microalgae do not compete with food crops in the food chain. This paper reviews the progress of recent research on the production of transportation fuels via homogeneous and heterogeneous catalytic conversions of microalgae. This review also describes the development of tools that may allow for a more fundamental understanding of catalyst selection and conversion processes using computational modelling. The catalytic conversion reaction pathways that have been investigated are fully discussed based on both experimental and theoretical approaches. Finally, this work makes several projections for the potential of various thermocatalytic pathways to produce alternative transportation fuels from algae, and identifies key areas where the authors feel that computational modelling should be directed to elucidate key information to optimize the process.

Catalytic Reactive Distillation for the Esterification Process: Experimental and Simulation

Directory of Open Access Journals (Sweden)

M. Mallaiah

2017-10-01

Full Text Available In the present study, methyl acetate has been synthesized using esterification of acetic acid with methanol in a continuous packed bed catalytic reactive distillation col- umn in the presence of novel Indion 180 ion exchange resin solid catalyst. The experiments were conducted at various operating conditions like reboiler temperature, reflux ratio, and different feed flow rates of the acetic acid and methanol. The non-ideal pseudo-homogeneous kinetic model has been developed for esterification of acetic acid with methanol in the presence of Indion 180 catalyst. The developed kinetic model was used for the simulation of the reactive distillation column for the synthesis of methyl acetate using equilibrium stage model in Aspen Plus version 7.3. The simulation results were compared with experimental results, and found that there is a good agreement between them. The sensitivity analyses were also carried out for the different parameters of bot- tom flow rate, feed temperatures of acetic acid and methanol, and feed flow rate of acetic acid and methanol.

Catalytic activity of Au nanoparticles

DEFF Research Database (Denmark)

Larsen, Britt Hvolbæk; Janssens, Ton V.W.; Clausen, Bjerne

2007-01-01

Au is usually viewed as an inert metal, but surprisingly it has been found that Au nanoparticles less than 3–5 nm in diameter are catalytically active for several chemical reactions. We discuss the origin of this effect, focusing on the way in which the chemical activity of Au may change with par......Au is usually viewed as an inert metal, but surprisingly it has been found that Au nanoparticles less than 3–5 nm in diameter are catalytically active for several chemical reactions. We discuss the origin of this effect, focusing on the way in which the chemical activity of Au may change...... with particle size. We find that the fraction of low-coordinated Au atoms scales approximately with the catalytic activity, suggesting that atoms on the corners and edges of Au nanoparticles are the active sites. This effect is explained using density functional calculations....

Homogeneity of Prototypical Attributes in Soccer Teams

Directory of Open Access Journals (Sweden)

Christian Zepp

2015-09-01

Full Text Available Research indicates that the homogeneous perception of prototypical attributes influences several intragroup processes. The aim of the present study was to describe the homogeneous perception of the prototype and to identify specific prototypical subcategories, which are perceived as homogeneous within sport teams. The sample consists of N = 20 soccer teams with a total of N = 278 athletes (age M = 23.5 years, SD = 5.0 years. The results reveal that subcategories describing the cohesiveness of the team and motivational attributes are mentioned homogeneously within sport teams. In addition, gender, identification, team size, and the championship ranking significantly correlate with the homogeneous perception of prototypical attributes. The results are discussed on the basis of theoretical and practical implications.

Homogenization theory in reactor lattices

International Nuclear Information System (INIS)

Benoist, P.

1986-02-01

The purpose of the theory of homogenization of reactor lattices is to determine, by the mean of transport theory, the constants of a homogeneous medium equivalent to a given lattice, which allows to treat the reactor as a whole by diffusion theory. In this note, the problem is presented by laying emphasis on simplicity, as far as possible [fr

Enhancement of anaerobic sludge digestion by high-pressure homogenization.

Science.gov (United States)

Zhang, Sheng; Zhang, Panyue; Zhang, Guangming; Fan, Jie; Zhang, Yuxuan

2012-08-01

To improve anaerobic sludge digestion efficiency, the effects of high-pressure homogenization (HPH) conditions on the anaerobic sludge digestion were investigated. The VS and TCOD were significantly removed with the anaerobic digestion, and the VS removal and TCOD removal increased with increasing the homogenization pressure and homogenization cycle number; correspondingly, the accumulative biogas production also increased with increasing the homogenization pressure and homogenization cycle number. The optimal homogenization pressure was 50 MPa for one homogenization cycle and 40 MPa for two homogenization cycles. The SCOD of the sludge supernatant significantly increased with increasing the homogenization pressure and homogenization cycle number due to the sludge disintegration. The relationship between the biogas production and the sludge disintegration showed that the accumulative biogas and methane production were mainly enhanced by the sludge disintegration, which accelerated the anaerobic digestion process and improved the methane content in the biogas. Copyright © 2012 Elsevier Ltd. All rights reserved.

Engineering Metallic Nanoparticles for Enhancing and Probing Catalytic Reactions.

Science.gov (United States)

Collins, Gillian; Holmes, Justin D

2016-07-01

Recent developments in tailoring the structural and chemical properties of colloidal metal nanoparticles (NPs) have led to significant enhancements in catalyst performance. Controllable colloidal synthesis has also allowed tailor-made NPs to serve as mechanistic probes for catalytic processes. The innovative use of colloidal NPs to gain fundamental insights into catalytic function will be highlighted across a variety of catalytic and electrocatalytic applications. The engineering of future heterogenous catalysts is also moving beyond size, shape and composition considerations. Advancements in understanding structure-property relationships have enabled incorporation of complex features such as tuning surface strain to influence the behavior of catalytic NPs. Exploiting plasmonic properties and altering colloidal surface chemistry through functionalization are also emerging as important areas for rational design of catalytic NPs. This news article will highlight the key developments and challenges to the future design of catalytic NPs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Layered Fiberconcrete with Non-Homogeneous Fibers Distribution

OpenAIRE

Lūsis, V; Krasņikovs, A

2013-01-01

The aim of present research is to create fiberconcrete construction with non-homogeneous fibers distribution in it. Traditionally fibers are homogeneously dispersed in a concrete. At the same time in many situations fiberconcretes with homogeneously dispersed fibers are not optimal (majority of added fibers are not participating in a loads bearing process).

Radiotracer investigation of cement raw meal homogenizers. Pt. 2

International Nuclear Information System (INIS)

Baranyai, L.

1983-01-01

Based on radioisotopic tracer technique a method has been worked out to study the homogenization and segregation processes of cement-industrial raw meal homogenizers. On-site measurements were carried out by this method in some Hungarian cement works to determine the optimal homogenization parameters of operating homogenizers. The motion and distribution of different raw meal fractions traced with 198 Au radioisotope was studied in homogenization processes proceeding with different parameters. In the first part of the publication the change of charge homogenity in time was discussed which had been measured as the resultant of mixing and separating processes. In the second part the parameters and types of homogenizers influencing the efficiency of homogenization have been detailed. (orig.) [de

Radiotracer investigation of cement raw meal homogenizers. Pt. 2

Energy Technology Data Exchange (ETDEWEB)

Baranyai, L

1983-12-01

Based on radioisotopic tracer technique a method has been worked out to study the homogenization and segregation processes of cement-industrial raw meal homogenizers. On-site measurements were carried out by this method in some Hungarian cement works to determine the optimal homogenization parameters of operating homogenizers. The motion and distribution of different raw meal fractions traced with /sup 198/Au radioisotope was studied in homogenization processes proceeding with different parameters. In the first part of the publication the change of charge homogenity in time was discussed which had been measured as the resultant of mixing and separating processes. In the second part the parameters and types of homogenizers influencing the efficiency of homogenization have been detailed.

Preparation, characterization and application in deep catalytic ODS of the mesoporous silica pillared clay incorporated with phosphotungstic acid.

Science.gov (United States)

Li, Baoshan; Liu, Zhenxing; Liu, Jianjun; Zhou, Zhiyuan; Gao, Xiaohui; Pang, Xinmei; Sheng, Huiting

2011-10-15

Mesoporous silica pillared clay (SPC) materials with different contents of H(3)PW(12)O(40) (HPW) heteropoly acid were synthesized by introducing HPW into clay interlayer template in an acidic suspension using sol-gel method. Samples with similar HPW loadings were also prepared by impregnation method using SPC as the support. The results of the characterizations showed that HPW was dispersed more homogeneously in the encapsulated samples than in the impregnated samples. The encapsulated materials exhibited better catalytic performance than the impregnated samples in oxidative desulfurization of dibenzothiophene-containing model oil. The sulfur removal reached up to 98.6% for the model oil under the experiential conditions. Copyright © 2011 Elsevier Inc. All rights reserved.

Hydrocarbon conversion with an attenuated superactive multimetallic catalytic composite

International Nuclear Information System (INIS)

Antos, G.J.

1981-01-01

Hydrocarbons are converted by contacting them at hydrocarbon conversion conditions with a novel attenuated superactive multimetallic catalytic composite comprising a combination of a catalytically effective amount of a pyrolyzed rhenium carbonyl component with a porous carrier material containing a uniform dispersion of catalytically effective amounts of a platinum group component, which is maintained in the elemental metallic state during the incorporation and pyrolysis of the rhenium carbonyl component, and of an iron component. In a highly preferred embodiment, this novel catalytic composite also contains a catalytically effective amount of a halogen component. The platinum group component, pyrolyzed rhenium carbonyl component, iron component and optional halogen component are preferably present in the multimetallic catalytic composite in amounts, calculated on an elemental basis, corresponding to about 0.01 to about 2 wt. % platinum group metal, about 0.01 to about 5 wt. % rhenium, about 0.005 to about 4 wt. % iron and about 0.1 to about 5 wt. % halogen. A key feature associated with the preparation of the subject catalytic composite is reaction of a rhenium carbonyl complex with a porous carrier material containing a uniform dispersion of an iron component and of a platinum group component maintained in the elemental state, whereby the interaction of the rhenium moiety with the platinum group moiety is maximized due to the platinophilic (i.e., platinum-seeking) propensities of the carbon monoxide ligands associated with the rhenium reagent. A specific example of the type of hydrocarbon conversion process disclosed herein is a process for the catalytic reforming of a low octane gasoline fraction wherein the gasoline fraction and a hydrogen stream are contacted with the attenuated superactive multimetallic catalytic composite at reforming conditions

Catalytic wet air oxidation of aniline with nanocasted Mn-Ce-oxide catalyst.

Science.gov (United States)

Levi, R; Milman, M; Landau, M V; Brenner, A; Herskowitz, M

2008-07-15

The catalytic wet air oxidation of aqueous solution containing 1000 ppm aniline was conducted in a trickle-bed reactor packed with a novel nanocasted Mn-Ce-oxide catalyst (surface area of 300 m2/g) prepared using SBA-15 silica as a hard template. A range of liquid hourly space velocities (5-20 h(-1)) and temperatures (110-140 degrees C) at 10 bar of oxygen were tested. The experiments were conducted to provide the intrinsic performance of the catalysts. Complete aniline conversion, 90% TOC conversion, and 80% nitrogen mineralization were achieved at 140 degrees C and 5 h(-1). Blank experiments yielded relatively low homogeneous aniline (<35%) and negligible TOC conversions. Fast deactivation of the catalysts was experienced due to leaching caused by complexation with aniline. Acidification of the solution with HCI (molar HCI to aniline ratio of 1.2) was necessary to avoid colloidization and leaching of the nanoparticulate catalyst components. The catalyst displayed stable performance for over 200 h on stream.

Technologies for production of biodiesel focusing on green catalytic techniques: A review

International Nuclear Information System (INIS)

Helwani, Z.; Othman, M.R.; Aziz, N.; Fernando, W.J.N.; Kim, J.

2009-01-01

Biodiesel production is undergoing rapid technological reforms in industries and academia. This has become more obvious and relevant since the recent increase in the petroleum prices and the growing awareness relating to the environmental consequences of the fuel overdependency. In this paper, various technological methods to produce biodiesel being used in industries and academia are reviewed. Catalytic transesterification, the most common method in the production of biofuel, is emphasized in the review. The two most common types of catalysts; homogeneous liquids and heterogeneous solids, are discussed at length in the paper. Two types of processes; batch and continuous processes, are also presented. Although batch production of biodiesel is favored over continuous process in many laboratory and larger scale efforts, the latter is expected to gain wider acceptance in the near future, considering its added advantages associated with higher production capacity and lower operating costs to ensure long term supply of biodiesel. (author)

Mesoporous silica nanoparticles for biomedical and catalytical applications

Energy Technology Data Exchange (ETDEWEB)

Sun, Xiaoxing [Iowa State Univ., Ames, IA (United States)

2011-01-01

alternative of the traditional Friedel-Crafts reaction. And we will compare the turnover numbers of MSN supported material with homogenous catalyst to evaluate the catalytical efficiency of our material.

Catalytic treatment

Energy Technology Data Exchange (ETDEWEB)

Bindley, W T.R.

1931-04-18

An apparatus is described for the catalytic treatment of liquids, semi-liquids, and gases comprising a vessel into which the liquid, semi-liquid, or gas to be treated is introduced through a common inlet to a chamber within the vessel whence it passes to contact with a catalyst through radially arranged channels or passages to a common outlet chamber.

Homogenization approach in engineering

International Nuclear Information System (INIS)

Babuska, I.

1975-10-01

Homogenization is an approach which studies the macrobehavior of a medium by its microproperties. Problems with a microstructure play an essential role in such fields as mechanics, chemistry, physics, and reactor engineering. Attention is concentrated on a simple specific model problem to illustrate results and problems typical of the homogenization approach. Only the diffusion problem is treated here, but some statements are made about the elasticity of composite materials. The differential equation is solved for linear cases with and without boundaries and for the nonlinear case. 3 figures, 1 table

Genetic Homogenization of Composite Materials

Directory of Open Access Journals (Sweden)

P. Tobola

2009-04-01

Full Text Available The paper is focused on numerical studies of electromagnetic properties of composite materials used for the construction of small airplanes. Discussions concentrate on the genetic homogenization of composite layers and composite layers with a slot. The homogenization is aimed to reduce CPU-time demands of EMC computational models of electrically large airplanes. First, a methodology of creating a 3-dimensional numerical model of a composite material in CST Microwave Studio is proposed focusing on a sufficient accuracy of the model. Second, a proper implementation of a genetic optimization in Matlab is discussed. Third, an association of the optimization script and a simplified 2-dimensional model of the homogeneous equivalent model in Comsol Multiphysics is proposed considering EMC issues. Results of computations are experimentally verified.

Stimulus homogeneity enhances implicit learning: evidence from contextual cueing.

Science.gov (United States)

Feldmann-Wüstefeld, Tobias; Schubö, Anna

2014-04-01

Visual search for a target object is faster if the target is embedded in a repeatedly presented invariant configuration of distractors ('contextual cueing'). It has also been shown that the homogeneity of a context affects the efficiency of visual search: targets receive prioritized processing when presented in a homogeneous context compared to a heterogeneous context, presumably due to grouping processes at early stages of visual processing. The present study investigated in three Experiments whether context homogeneity also affects contextual cueing. In Experiment 1, context homogeneity varied on three levels of the task-relevant dimension (orientation) and contextual cueing was most pronounced for context configurations with high orientation homogeneity. When context homogeneity varied on three levels of the task-irrelevant dimension (color) and orientation homogeneity was fixed, no modulation of contextual cueing was observed: high orientation homogeneity led to large contextual cueing effects (Experiment 2) and low orientation homogeneity led to low contextual cueing effects (Experiment 3), irrespective of color homogeneity. Enhanced contextual cueing for homogeneous context configurations suggest that grouping processes do not only affect visual search but also implicit learning. We conclude that memory representation of context configurations are more easily acquired when context configurations can be processed as larger, grouped perceptual units. However, this form of implicit perceptual learning is only improved by stimulus homogeneity when stimulus homogeneity facilitates grouping processes on a dimension that is currently relevant in the task. Copyright © 2014 Elsevier B.V. All rights reserved.

Catalytic cleavage activities of 10–23 DNAzyme analogs functionalized with an amino group in its catalytic core

Directory of Open Access Journals (Sweden)

Qi Wang

2012-02-01

Full Text Available Functionalization of the catalytic loop of 10–23 DNAzyme with an amino group was performed by incorporation of 7-(3-aminopropyl-8-aza-7-deaza-2′-deoxyadenosine in different single positions. Among the nine modified positions in the catalytic loop, A9 is the unique position with positive contribution by such modification. These results indicated that more efficient deoxyribozymes remain to be explored by introduction of exogenous functional groups in an appropriate position in the catalytic loop of 10–23 DNAzyme, such as the combination of 7-functional group substituted 8-aza-7-deaza-2′-deoxyadenosine analogs and A9 position.

Catalytic hydrogenation of carbonyl group for deuterated compound production

International Nuclear Information System (INIS)

Gluhoi, C. Andreea; Marginean, P.; Lazar, Diana; Almasan, V.

1999-01-01

The total deuterated isopropyl alcohol can be produced starting from acetone. The developed technology comprises two steps: Deuteration of acetone by H/D isotopic exchange between acetone and heavy water in homogeneous catalysis. Reduction of the deuterated acetone with deuterium in presence of a metal/support catalyst. H/D isotopic exchange reaction of the H atoms from CH 3 groups is easy to occur because carbonyl group weakens C-H bond (ceto-enolyc tautomery). The big difference between boiling points of acetone and water permits an easy separation of acetone by distillation method. The reduction of acetone with deuterium was performed in a dynamic reactor by passing a deuterium flow saturated with acetone vapour through a supported nickel catalyst bed. The reaction products were analysed on-line using a flame ionisation detector. The supported nickel catalysts were checked for this reaction. By using nickel over different supports the selectivity for isopropyl alcohol was about 100%. The propane was detected only as traces. The catalytic activity depends strongly on the support nature: the Ni/SiO 2 is less active, while the Ni/TiO 2 presents the larger value for the intrinsic activity. (authors)

Multilevel Monte Carlo Approaches for Numerical Homogenization

KAUST Repository

Efendiev, Yalchin R.

2015-10-01

In this article, we study the application of multilevel Monte Carlo (MLMC) approaches to numerical random homogenization. Our objective is to compute the expectation of some functionals of the homogenized coefficients, or of the homogenized solutions. This is accomplished within MLMC by considering different sizes of representative volumes (RVEs). Many inexpensive computations with the smallest RVE size are combined with fewer expensive computations performed on larger RVEs. Likewise, when it comes to homogenized solutions, different levels of coarse-grid meshes are used to solve the homogenized equation. We show that, by carefully selecting the number of realizations at each level, we can achieve a speed-up in the computations in comparison to a standard Monte Carlo method. Numerical results are presented for both one-dimensional and two-dimensional test-cases that illustrate the efficiency of the approach.

MAP: an iterative experimental design methodology for the optimization of catalytic search space structure modeling.

Science.gov (United States)

Baumes, Laurent A

2006-01-01

One of the main problems in high-throughput research for materials is still the design of experiments. At early stages of discovery programs, purely exploratory methodologies coupled with fast screening tools should be employed. This should lead to opportunities to find unexpected catalytic results and identify the "groups" of catalyst outputs, providing well-defined boundaries for future optimizations. However, very few new papers deal with strategies that guide exploratory studies. Mostly, traditional designs, homogeneous covering, or simple random samplings are exploited. Typical catalytic output distributions exhibit unbalanced datasets for which an efficient learning is hardly carried out, and interesting but rare classes are usually unrecognized. Here is suggested a new iterative algorithm for the characterization of the search space structure, working independently of learning processes. It enhances recognition rates by transferring catalysts to be screened from "performance-stable" space zones to "unsteady" ones which necessitate more experiments to be well-modeled. The evaluation of new algorithm attempts through benchmarks is compulsory due to the lack of past proofs about their efficiency. The method is detailed and thoroughly tested with mathematical functions exhibiting different levels of complexity. The strategy is not only empirically evaluated, the effect or efficiency of sampling on future Machine Learning performances is also quantified. The minimum sample size required by the algorithm for being statistically discriminated from simple random sampling is investigated.

String pair production in non homogeneous backgrounds

Energy Technology Data Exchange (ETDEWEB)

Bolognesi, S. [Department of Physics “E. Fermi” University of Pisa, and INFN - Sezione di Pisa,Largo Pontecorvo, 3, Ed. C, 56127 Pisa (Italy); Rabinovici, E. [Racah Institute of Physics, The Hebrew University of Jerusalem,91904 Jerusalem (Israel); Tallarita, G. [Departamento de Ciencias, Facultad de Artes Liberales,Universidad Adolfo Ibáñez, Santiago 7941169 (Chile)

2016-04-28

We consider string pair production in non homogeneous electric backgrounds. We study several particular configurations which can be addressed with the Euclidean world-sheet instanton technique, the analogue of the world-line instanton for particles. In the first case the string is suspended between two D-branes in flat space-time, in the second case the string lives in AdS and terminates on one D-brane (this realizes the holographic Schwinger effect). In some regions of parameter space the result is well approximated by the known analytical formulas, either the particle pair production in non-homogeneous background or the string pair production in homogeneous background. In other cases we see effects which are intrinsically stringy and related to the non-homogeneity of the background. The pair production is enhanced already for particles in time dependent electric field backgrounds. The string nature enhances this even further. For spacial varying electrical background fields the string pair production is less suppressed than the rate of particle pair production. We discuss in some detail how the critical field is affected by the non-homogeneity, for both time and space dependent electric field backgrouds. We also comment on what could be an interesting new prediction for the small field limit. The third case we consider is pair production in holographic confining backgrounds with homogeneous and non-homogeneous fields.

String pair production in non homogeneous backgrounds

International Nuclear Information System (INIS)

Bolognesi, S.; Rabinovici, E.; Tallarita, G.

2016-01-01

We consider string pair production in non homogeneous electric backgrounds. We study several particular configurations which can be addressed with the Euclidean world-sheet instanton technique, the analogue of the world-line instanton for particles. In the first case the string is suspended between two D-branes in flat space-time, in the second case the string lives in AdS and terminates on one D-brane (this realizes the holographic Schwinger effect). In some regions of parameter space the result is well approximated by the known analytical formulas, either the particle pair production in non-homogeneous background or the string pair production in homogeneous background. In other cases we see effects which are intrinsically stringy and related to the non-homogeneity of the background. The pair production is enhanced already for particles in time dependent electric field backgrounds. The string nature enhances this even further. For spacial varying electrical background fields the string pair production is less suppressed than the rate of particle pair production. We discuss in some detail how the critical field is affected by the non-homogeneity, for both time and space dependent electric field backgrouds. We also comment on what could be an interesting new prediction for the small field limit. The third case we consider is pair production in holographic confining backgrounds with homogeneous and non-homogeneous fields.

Homogeneous M2 duals

International Nuclear Information System (INIS)

Figueroa-O’Farrill, José; Ungureanu, Mara

2016-01-01

Motivated by the search for new gravity duals to M2 branes with N>4 supersymmetry — equivalently, M-theory backgrounds with Killing superalgebra osp(N|4) for N>4 — we classify (except for a small gap) homogeneous M-theory backgrounds with symmetry Lie algebra so(n)⊕so(3,2) for n=5,6,7. We find that there are no new backgrounds with n=6,7 but we do find a number of new (to us) backgrounds with n=5. All backgrounds are metrically products of the form AdS 4 ×P 7 , with P riemannian and homogeneous under the action of SO(5), or S 4 ×Q 7 with Q lorentzian and homogeneous under the action of SO(3,2). At least one of the new backgrounds is supersymmetric (albeit with only N=2) and we show that it can be constructed from a supersymmetric Freund-Rubin background via a Wick rotation. Two of the new backgrounds have only been approximated numerically.

Homogeneous M2 duals

Energy Technology Data Exchange (ETDEWEB)

Figueroa-O’Farrill, José [School of Mathematics and Maxwell Institute for Mathematical Sciences,The University of Edinburgh,James Clerk Maxwell Building, The King’s Buildings, Peter Guthrie Tait Road,Edinburgh EH9 3FD, Scotland (United Kingdom); Ungureanu, Mara [Humboldt-Universität zu Berlin, Institut für Mathematik,Unter den Linden 6, 10099 Berlin (Germany)

2016-01-25

Motivated by the search for new gravity duals to M2 branes with N>4 supersymmetry — equivalently, M-theory backgrounds with Killing superalgebra osp(N|4) for N>4 — we classify (except for a small gap) homogeneous M-theory backgrounds with symmetry Lie algebra so(n)⊕so(3,2) for n=5,6,7. We find that there are no new backgrounds with n=6,7 but we do find a number of new (to us) backgrounds with n=5. All backgrounds are metrically products of the form AdS{sub 4}×P{sup 7}, with P riemannian and homogeneous under the action of SO(5), or S{sup 4}×Q{sup 7} with Q lorentzian and homogeneous under the action of SO(3,2). At least one of the new backgrounds is supersymmetric (albeit with only N=2) and we show that it can be constructed from a supersymmetric Freund-Rubin background via a Wick rotation. Two of the new backgrounds have only been approximated numerically.

Homogeneous synthesis of Ag nanoparticles-doped water-soluble cellulose acetate for versatile applications.

Science.gov (United States)

Cao, Jie; Sun, Xunwen; Zhang, Xinxing; Lu, Canhui

2016-11-01

We report a facile and efficient approach for synthesis of well-dispersed and stable silver nanoparticles (Ag NPs) using water-soluble cellulose acetate (CA) as both reductant and stabilizer. Partially substituted CA with highly active hydroxyl groups and excellent water-solubility is able to reduce silver ions in homogeneous aqueous medium effectively. The synthesized Ag NPs were characterized by UV-vis spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy and energy dispersive X-ray spectroscope analysis. The as-prepared Ag NPs were well-dispersed, showing a surface plasmon resonance peak at 426nm. The resulted Ag NPs@CA nanohybrids exhibit high catalytic activity for the reduction of 4-nitrophenol to 4-aminophenol in the presence of NaBH 4 . Meanwhile, the nanohybrids are also effective in inhibiting the growth of bacterial. This environmentally friendly method promotes the use of renewable natural resources to prepare a variety of inorganic-organic materials for catalysis, antibacterial, sensors and other applications. Copyright © 2016 Elsevier B.V. All rights reserved.

Two-Dimensional Homogeneous Fermi Gases

Science.gov (United States)

Hueck, Klaus; Luick, Niclas; Sobirey, Lennart; Siegl, Jonas; Lompe, Thomas; Moritz, Henning

2018-02-01

We report on the experimental realization of homogeneous two-dimensional (2D) Fermi gases trapped in a box potential. In contrast to harmonically trapped gases, these homogeneous 2D systems are ideally suited to probe local as well as nonlocal properties of strongly interacting many-body systems. As a first benchmark experiment, we use a local probe to measure the density of a noninteracting 2D Fermi gas as a function of the chemical potential and find excellent agreement with the corresponding equation of state. We then perform matter wave focusing to extract the momentum distribution of the system and directly observe Pauli blocking in a near unity occupation of momentum states. Finally, we measure the momentum distribution of an interacting homogeneous 2D gas in the crossover between attractively interacting fermions and bosonic dimers.

Diffusion piecewise homogenization via flux discontinuity ratios

International Nuclear Information System (INIS)

Sanchez, Richard; Dante, Giorgio; Zmijarevic, Igor

2013-01-01

We analyze piecewise homogenization with flux-weighted cross sections and preservation of averaged currents at the boundary of the homogenized domain. Introduction of a set of flux discontinuity ratios (FDR) that preserve reference interface currents leads to preservation of averaged region reaction rates and fluxes. We consider the class of numerical discretizations with one degree of freedom per volume and per surface and prove that when the homogenization and computing meshes are equal there is a unique solution for the FDRs which exactly preserve interface currents. For diffusion sub-meshing we introduce a Jacobian-Free Newton-Krylov method and for all cases considered obtain an 'exact' numerical solution (eight digits for the interface currents). The homogenization is completed by extending the familiar full assembly homogenization via flux discontinuity factors to the sides of regions laying on the boundary of the piecewise homogenized domain. Finally, for the familiar nodal discretization we numerically find that the FDRs obtained with no sub-mesh (nearly at no cost) can be effectively used for whole-core diffusion calculations with sub-mesh. This is not the case, however, for cell-centered finite differences. (authors)

Progress in catalytic naphtha reforming process: A review

International Nuclear Information System (INIS)

Rahimpour, Mohammad Reza; Jafari, Mitra; Iranshahi, Davood

2013-01-01

Catalytic naphtha reforming process is a vital process for refineries due to the production of high-octane components, which is intensely demanded in our modern life. The significance of this industrial process induced researchers to investigate different aspects of catalytic naphtha reforming process intensively. Some of the investigators try to improve this process by representing more effective catalysts, while others try to elucidate its kinetic and deactivation mechanisms and design more efficient reactor setups. The amount of these established papers is so much that may confuse some of the researchers who want to find collective information about catalytic naphtha reforming process. In the present paper, the published studies from 1949 until now are categorized into three main groups including finding suitable catalyst, revealing appropriate kinetic and deactivation model, and suggesting efficient reactor configuration and mode of operation. These studies are reviewed separately, and a suitable reference is provided for those who want to have access to generalized information about catalytic naphtha reforming process. Finally, various suggestions for revamping the catalytic naphtha reforming process have been proposed as a guideline for further investigations

Homogeneous deuterium exchange using rhenium and platinum chloride catalysts

International Nuclear Information System (INIS)

Fawdry, R.M.

1979-01-01

Previous studies of homogeneous hydrogen isotope exchange are mostly confined to one catalyst, the tetrachloroplatinite salt. Recent reports have indicated that chloride salts of iridium and rhodium may also be homogeneous exchange catalysts similar to the tetrachloroplatinite, but with much lower activities. Exchange by these homogeneous catalysts is frequently accompanied by metal precipitation with the termination of homogeneous exchange, particularly in the case of alkane exchange. The studies presented in this thesis describe two different approaches to overcome this limitation of homogeneous hydrogen isotope exchange catalysts. The first approach was to improve the stability of an existing homogeneous catalyst and the second was to develop a new homogeneous exchange catalyst which is free of the instability limitation

Interactions between oxygen permeation and homogeneous-phase fuel conversion on the sweep side of an ion transport membrane

KAUST Repository

Hong, Jongsup

2013-02-01

The interactions between oxygen permeation and homogeneous fuel oxidation reactions on the sweep side of an ion transport membrane (ITM) are examined using a comprehensive model, which couples the dependency of the oxygen permeation rate on the membrane surface conditions and detailed chemistry and transport in the vicinity of the membrane. We assume that the membrane surface is not catalytic to hydrocarbon or syngas oxidation. Results show that increasing the sweep gas inlet temperature and fuel concentration enhances oxygen permeation substantially. This is accomplished through promoting oxidation reactions (oxygen consumption) and the transport of the products and reaction heat towards the membrane, which lowers the oxygen concentration and increases the gas temperature near the membrane. Faster reactions at higher fuel concentration and higher inlet gas temperature support substantial fuel conversion and lead to a higher oxygen permeation flux without the contribution of surface catalytic activity. Beyond a certain maximum in the fuel concentration, extensive heat loss to the membrane (and feed side) reduces the oxidation kinetic rates and limits oxygen permeation as the reaction front reaches the membrane. The sweep gas flow rate and channel height have moderate impacts on oxygen permeation and fuel conversion due to the residence time requirements for the chemical reactions and the location of the reaction zone relative to the membrane surface. © 2012 Elsevier B.V.

The homogeneous geometries of real hyperbolic space

DEFF Research Database (Denmark)

Castrillón López, Marco; Gadea, Pedro Martínez; Swann, Andrew Francis

We describe the holonomy algebras of all canonical connections of homogeneous structures on real hyperbolic spaces in all dimensions. The structural results obtained then lead to a determination of the types, in the sense of Tricerri and Vanhecke, of the corresponding homogeneous tensors. We use...... our analysis to show that the moduli space of homogeneous structures on real hyperbolic space has two connected components....

Catalytically favorable surface patterns in Pt-Au nanoclusters

KAUST Repository

Mokkath, Junais Habeeb; Schwingenschlö gl, Udo

2013-01-01

Motivated by recent experimental demonstrations of novel PtAu nanoparticles with highly enhanced catalytic properties, we present a systematic theoretical study that explores principal catalytic indicators as a function of the particle size

Spinor structures on homogeneous spaces

International Nuclear Information System (INIS)

Lyakhovskii, V.D.; Mudrov, A.I.

1993-01-01

For multidimensional models of the interaction of elementary particles, the problem of constructing and classifying spinor fields on homogeneous spaces is exceptionally important. An algebraic criterion for the existence of spinor structures on homogeneous spaces used in multidimensional models is developed. A method of explicit construction of spinor structures is proposed, and its effectiveness is demonstrated in examples. The results are of particular importance for harmonic decomposition of spinor fields

Investigations into homogenization of electromagnetic metamaterials

DEFF Research Database (Denmark)

Clausen, Niels Christian Jerichau

This dissertation encompasses homogenization methods, with a special interest into their applications to metamaterial homogenization. The first method studied is the Floquet-Bloch method, that is based on the assumption of a material being infinite periodic. Its field can then be expanded in term...

Catalytic Aminohalogenation of Alkenes and Alkynes.

Science.gov (United States)

Chemler, Sherry R; Bovino, Michael T

2013-06-07

Catalytic aminohalogenation methods enable the regio- and stereoselective vicinal difunctionalization of alkynes, allenes and alkenes with amine and halogen moieties. A range of protocols and reaction mechanisms including organometallic, Lewis base, Lewis acid and Brønsted acid catalysis have been disclosed, enabling the regio- and stereoselective synthesis of halogen-functionalized acyclic amines and nitrogen heterocycles. Recent advances including aminofluorination and catalytic enantioselective aminohalogenation reactions are summarized in this review.

Synthesis of aryl-substituted 5-[18F]fluoroalkylbenzamides: High affinity ligands for dopamine D-2 studies

International Nuclear Information System (INIS)

Mathis, C.A.; Bishop, J.E.; Gerdes, J.M.; Faggin, B.; Mailman, R.

1990-01-01

Recent studies of the structure-activity relationship of benzamides have shown that the 2,3-dimethoxy substitution pattern of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dimethoxy-5-iodobenzamide (PDB) resulted in a potent D-2 antagonist. Based upon these results and the concept that the potency of receptor ligands can be preserved when aromatic halogen substituents are replaced by fluoroalkyl functional groups, the authors synthesized a series of aryl-substituted fluoroalkyl PDBs and salicylamides. Synthetic pathways and an in vivo study in rats are outlined

Poisson-Jacobi reduction of homogeneous tensors

International Nuclear Information System (INIS)

Grabowski, J; Iglesias, D; Marrero, J C; Padron, E; Urbanski, P

2004-01-01

The notion of homogeneous tensors is discussed. We show that there is a one-to-one correspondence between multivector fields on a manifold M, homogeneous with respect to a vector field Δ on M, and first-order polydifferential operators on a closed submanifold N of codimension 1 such that Δ is transversal to N. This correspondence relates the Schouten-Nijenhuis bracket of multivector fields on M to the Schouten-Jacobi bracket of first-order polydifferential operators on N and generalizes the Poissonization of Jacobi manifolds. Actually, it can be viewed as a super-Poissonization. This procedure of passing from a homogeneous multivector field to a first-order polydifferential operator can also be understood as a sort of reduction; in the standard case-a half of a Poisson reduction. A dual version of the above correspondence yields in particular the correspondence between Δ-homogeneous symplectic structures on M and contact structures on N

Non-homogeneous dynamic Bayesian networks for continuous data

NARCIS (Netherlands)

Grzegorczyk, Marco; Husmeier, Dirk

Classical dynamic Bayesian networks (DBNs) are based on the homogeneous Markov assumption and cannot deal with non-homogeneous temporal processes. Various approaches to relax the homogeneity assumption have recently been proposed. The present paper presents a combination of a Bayesian network with

Evaluation of stereoisomers of 4-fluoroalkyl analogues of 3-quinuclidinyl benzilate in in vivo competition studies for the M1, M2, and M3 muscarinic receptor subtypes in brain

International Nuclear Information System (INIS)

Kiesewetter, Dale O.; Eckelman, William C.; Jaetae, Lee; Paik, Chang H.; Park, Seok G.

1995-01-01

To develop a subtype selective muscarinic acetylcholine receptor (mAChR) antagonist for PET, fluorine-19 labeled alkyl analogues of quinuclidinyl benzilate (QNB) were synthesized by stereoselective reactions. To investigate these analogues for tissue subtype specificity, in vivo competitive binding studies were performed in rat brain using (R)-3-quinuclidinyl (R)-4-[ 125 I]Iodobenzilate (IQNB). Five, fifty, or five-hundred nmol of the non-radioactive ligands were coinjected intravenously with 8 pmol of the radioligand. Cold (R,R)-IQNB blocked (R,R)-[ 125 I]IQNB in a dose-dependent manner, without showing regional specificity. For the (R,S)-fluoromethyl, -fluoroethyl, and -fluoropropyl derivatives, a higher percent blockade was seen at 5 and 50 nmol levels in M2 predominant tissues (medulla, pons, and cerebellum) than in M1 predominant tissues (cortex, striatum and hippocampus). The blockade pattern of the radioligand also correlated qualitatively with the percentage of M2 receptors in the region. The S-quinuclidinyl analogues showed M2 selectivity but less efficient blockade of the radioligand, indicating lower affinities. Radioligand bound to the medulla was inversely correlated to the M2 relative binding affinity of the fluoroalkyl analogues. These results indicate that the nonradioactive ligand blocks the radioligand based on the affinity of the nonradioactive ligand for a particular receptor subtype compared to the affinity of the radioligand for the same receptor subtype. Of the seven compounds evaluated, (R,S)-fluoromethyl-QNB appears to show the most selectivity for the M2 subtypes in competition studies in vivo

Synchronicity of mononuclear and dinuclear events in homogeneous catalysis. Hydroformylation of cyclopentene using Rh4(CO)12 and HRe(CO)5 as precursors.

Science.gov (United States)

Li, Chuanzhao; Chen, Li; Garland, Marc

2007-10-31

The combined application of two or more metals in homogeneous catalysis can lead to synergistic effects; however, the phenomenological basis for these observations often goes undetermined. The hetero-bimetallic catalytic binuclear elimination reaction, a system involving both mononuclear and dinuclear intermediates, has been repeatedly suggested as a possible mechanism. In the present contribution, the simultaneous application of Rh4(CO)12 and HRe(CO)5 as precursors in the hydroformylation reaction leads to a very strong synergistic rate effect. In situ spectroscopic measurements confirm the presence of both mononuclear and dinuclear intermediates such as RCORh(CO)4 and RhRe(CO)9 in the active system. Moreover, kinetic analysis confirms interconversion of these intermediates as well as their statistical correlation with organic product formation. Specifically, the rate of hydrogen activation by RhRe(CO)9 is exactly equal to the rate of aldehyde formation from binuclear elimination between HRe(CO)5 and RCORh(CO)4 at all reaction conditions studied. Thus the catalytic events involving mononuclear species and those involving dinuclear species are synchronized. In the present experiments, the new topology is orders of magnitude more efficient than the corresponding unicyclic rhodium system.

Homogeneous Poisson structures

International Nuclear Information System (INIS)

Shafei Deh Abad, A.; Malek, F.

1993-09-01

We provide an algebraic definition for Schouten product and give a decomposition for any homogenenous Poisson structure in any n-dimensional vector space. A large class of n-homogeneous Poisson structures in R k is also characterized. (author). 4 refs

Partial substitution of manganese with cerium in SrMnO_3 nano-perovskite catalyst. Effect of the modification on the catalytic combustion of dilute acetone

International Nuclear Information System (INIS)

Rezlescu, Nicolae; Rezlescu, Elena; Popa, Paul Dorin; Doroftei, Corneliu; Ignat, Maria

2016-01-01

Ultrafine SrMn_1_−_xCe_xO_3 (x = 0, 02) perovskites were prepared by self-combustion method and heat treatment at 1000 °C for 4 h. The structure and surface properties were investigated by X-ray powder diffraction, scanning electron microscopy (SEM), EDX spectroscopy, and BET analysis. The catalyst properties of the perovskite nanopowders were tested in the catalytic combustion of dilute acetone at atmospheric pressure. The results revealed that the partial substitution of Mn by Ce ions (x = 0.2) in perovskite structure of SrMnO_3 had significantly improved catalytic activity of the perovskite. The SrMn_0_._8Ce_0_,_2O_3 perovskite composition can be a good candidate for catalytic combustion of low concentration acetone (1–2‰ in air) at low temperatures. The acetone conversion over this catalyst exceeds 90% at 200 °C, whereas over SrMnO_3 it is only 50%. Compared with SrMnO_3, T_5_0 is decreased by 75 °C and T_9_0 is decreased by 70 °C. The enhancement of the catalytic activity at a Ce doping of 0.2 may be ascribed to smaller crystallite sizes, larger specific surface area and the presence of Ce and Mn cations with variable valence in the perovskite structure. - Highlights: • A non-conventional method was used to make nanostructured perovskite samples. • XRD study confirms perovskite structure and nanosize of crystallites. • EDX analyses confirm homogeneity and purity of the samples. • The catalytic testing was carried out in the flameless combustion of dilute acetone. • SrMn_0_._8Ce_0_._2O_3 perovskite can be a promising catalyst for acetone combustion at low temperature.

Homogenization of High-Contrast Brinkman Flows

KAUST Repository

Brown, Donald L.

2015-04-16

Modeling porous flow in complex media is a challenging problem. Not only is the problem inherently multiscale but, due to high contrast in permeability values, flow velocities may differ greatly throughout the medium. To avoid complicated interface conditions, the Brinkman model is often used for such flows [O. Iliev, R. Lazarov, and J. Willems, Multiscale Model. Simul., 9 (2011), pp. 1350--1372]. Instead of permeability variations and contrast being contained in the geometric media structure, this information is contained in a highly varying and high-contrast coefficient. In this work, we present two main contributions. First, we develop a novel homogenization procedure for the high-contrast Brinkman equations by constructing correctors and carefully estimating the residuals. Understanding the relationship between scales and contrast values is critical to obtaining useful estimates. Therefore, standard convergence-based homogenization techniques [G. A. Chechkin, A. L. Piatniski, and A. S. Shamev, Homogenization: Methods and Applications, Transl. Math. Monogr. 234, American Mathematical Society, Providence, RI, 2007, G. Allaire, SIAM J. Math. Anal., 23 (1992), pp. 1482--1518], although a powerful tool, are not applicable here. Our second point is that the Brinkman equations, in certain scaling regimes, are invariant under homogenization. Unlike in the case of Stokes-to-Darcy homogenization [D. Brown, P. Popov, and Y. Efendiev, GEM Int. J. Geomath., 2 (2011), pp. 281--305, E. Marusic-Paloka and A. Mikelic, Boll. Un. Mat. Ital. A (7), 10 (1996), pp. 661--671], the results presented here under certain velocity regimes yield a Brinkman-to-Brinkman upscaling that allows using a single software platform to compute on both microscales and macroscales. In this paper, we discuss the homogenized Brinkman equations. We derive auxiliary cell problems to build correctors and calculate effective coefficients for certain velocity regimes. Due to the boundary effects, we construct

Novel Metal Nanomaterials and Their Catalytic Applications

Directory of Open Access Journals (Sweden)

Jiaqing Wang

2015-09-01

Full Text Available In the rapidly developing areas of nanotechnology, nano-scale materials as heterogeneous catalysts in the synthesis of organic molecules have gotten more and more attention. In this review, we will summarize the synthesis of several new types of noble metal nanostructures (FePt@Cu nanowires, Pt@Fe2O3 nanowires and bimetallic Pt@Ir nanocomplexes; Pt-Au heterostructures, Au-Pt bimetallic nanocomplexes and Pt/Pd bimetallic nanodendrites; Au nanowires, CuO@Ag nanowires and a series of Pd nanocatalysts and their new catalytic applications in our group, to establish heterogeneous catalytic system in “green” environments. Further study shows that these materials have a higher catalytic activity and selectivity than previously reported nanocrystal catalysts in organic reactions, or show a superior electro-catalytic activity for the oxidation of methanol. The whole process might have a great impact to resolve the energy crisis and the environmental crisis that were caused by traditional chemical engineering. Furthermore, we hope that this article will provide a reference point for the noble metal nanomaterials’ development that leads to new opportunities in nanocatalysis.

Chemo- and regioselective homogeneous rhodium-catalyzed hydroamidomethylation of terminal alkenes to N-alkylamides.

Science.gov (United States)

Raoufmoghaddam, Saeed; Drent, Eite; Bouwman, Elisabeth

2013-09-01

A rhodium/xantphos homogeneous catalyst system has been developed for direct chemo- and regioselective mono-N-alkylation of primary amides with 1-alkenes and syngas through catalytic hydroamidomethylation with 1-pentene and acetamide as model substrates. For appropriate catalyst performance, it appears to be essential that catalytic amounts of a strong acid promoter, such as p-toluenesulfonic acid (HOTs), as well as larger amounts of a weakly acidic protic promoter, particularly hexafluoroisopropyl alcohol (HOR(F) ) are applied. Apart from the product N-1-hexylacetamide, the isomeric unsaturated intermediates, hexanol and higher mass byproducts, as well as the corresponding isomeric branched products, can be formed. Under optimized conditions, almost full alkene conversion can be achieved with more than 80% selectivity to the product N-1-hexylamide. Interestingly, in the presence of a relatively high concentration of HOR(F) , the same catalyst system shows a remarkably high selectivity for the formation of hexanol from 1-pentene with syngas, thus presenting a unique example of a selective rhodium-catalyzed hydroformylation-hydrogenation tandem reaction under mild conditions. Time-dependent product formation during hydroamidomethylation batch experiments provides evidence for aldehyde and unsaturated intermediates; this clearly indicates the three-step hydroformylation/condensation/hydrogenation reaction sequence that takes place in hydroamidomethylation. One likely role of the weakly acidic protic promoter, HOR(F) , in combination with the strong acid HOTs, is to establish a dual-functionality rhodium catalyst system comprised of a neutral rhodium(I) hydroformylation catalyst species and a cationic rhodium(III) complex capable of selectively reducing the imide and/or ene-amide intermediates that are in a dynamic, acid-catalyzed condensation equilibrium with the aldehyde and amide in a syngas environment. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling and simulation of heterogeneous catalytic processes

CERN Document Server

Dixon, Anthony

2014-01-01

Heterogeneous catalysis and mathematical modeling are essential components of the continuing search for better utilization of raw materials and energy, with reduced impact on the environment. Numerical modeling of chemical systems has progressed rapidly due to increases in computer power, and is used extensively for analysis, design and development of catalytic reactors and processes. This book presents reviews of the state-of-the-art in modeling of heterogeneous catalytic reactors and processes. Reviews by leading authorities in the respective areas Up-to-date reviews of latest techniques in modeling of catalytic processes Mix of US and European authors, as well as academic/industrial/research institute perspectives Connections between computation and experimental methods in some of the chapters.

Catalytic gasification of oil-shales

Energy Technology Data Exchange (ETDEWEB)

Lapidus, A.; Avakyan, T. [I.M. Gubkin Russian State Univ. of Oil and Gas, Moscow (Russian Federation); Strizhakova, Yu. [Samara State Univ. (Russian Federation)

2012-07-01

Nowadays, the problem of complex usage of solid fossil fuels as raw materials for obtaining of motor fuels and chemical products is becoming increasingly important. A one of possible solutions of the problem is their gasification with further processing of gaseous and liquid products. In this work we have investigated the process of thermal and catalytic gasification of Baltic and Kashpir oil-shales. We have shown that, as compared with non-catalytic process, using of nickel catalyst in the reaction increases the yield of gas, as well as hydrogen content in it, and decreases the amount of liquid products. (orig.)

A personal view on homogenization

International Nuclear Information System (INIS)

Tartar, L.

1987-02-01

The evolution of some ideas is first described. Under the name homogenization are collected all the mathematical results who help understanding the relations between the microstructure of a material and its macroscopic properties. Homogenization results are given through a critically detailed bibliography. The mathematical models given are systems of partial differential equations, supposed to describe some properties at a scale ε and we want to understand what will happen to the solutions if ε tends to 0

Kinetic catalytic studies of scorpion's hemocyanin

International Nuclear Information System (INIS)

Queinnec, E.; Vuillaume, M.; Gardes-Albert, M.; Ferradini, C.; Ducancel, F.

1991-01-01

Hemocyanins are copper proteins which function as oxygen carriers in the haemolymph of Molluscs and Arthropods. They possess enzymatic properties: peroxidatic and catalatic activities, although they have neither iron nor porphyrin ring at the active site. The kinetics of the catalytic reaction is described. The reaction of superoxide anion with hemocyanin has been studied using pulse radiolysis at pH 9. The catalytic rate constant is 3.5 X 10 7 mol -1 .l.s -1 [fr

Homogeneous turbulence dynamics

CERN Document Server

Sagaut, Pierre

2018-01-01

This book provides state-of-the-art results and theories in homogeneous turbulence, including anisotropy and compressibility effects with extension to quantum turbulence, magneto-hydodynamic turbulence  and turbulence in non-newtonian fluids. Each chapter is devoted to a given type of interaction (strain, rotation, shear, etc.), and presents and compares experimental data, numerical results, analysis of the Reynolds stress budget equations and advanced multipoint spectral theories. The role of both linear and non-linear mechanisms is emphasized. The link between the statistical properties and the dynamics of coherent structures is also addressed. Despite its restriction to homogeneous turbulence, the book is of interest to all people working in turbulence, since the basic physical mechanisms which are present in all turbulent flows are explained. The reader will find a unified presentation of the results and a clear presentation of existing controversies. Special attention is given to bridge the results obta...

Tunable preparation of ruthenium nanoparticles with superior size-dependent catalytic hydrogenation properties

Energy Technology Data Exchange (ETDEWEB)

Zhao, Yuan; Luo, Yaodong; Yang, Xuan; Yang, Yaxin; Song, Qijun, E-mail: qsong@jiangnan.edu.cn

2017-06-15

Highlights: • A facile and efficient strategy is firstly developed for the synthesis of Ru NPs. • Ru NPs are stable and uniform with the controllable sizes from 2.6 to 51.5 nm. • Ru NPs exhibit size-dependent and superior catalytic hydrogenation activity. - Abstract: Ruthenium (Ru) featured with an unusual catalytic behavior is of great significance in several heterogeneous and electro-catalytic reactions. The preparation of tractable Ru nanocatalysts and the building of highly active catalytic system at ambient temperature remains a grand challenge. Herein, a facile strategy is developed for the controllable preparation of Ru nanoparticles (NPs) with the sizes ranging from 2.6 to 51.5 nm. Ru NPs show superior size-dependent catalytic performance with the best kinetic rate constant as high as −1.52 min{sup −1}, which could far surpass the other traditional noble metals. Ru NPs exert exceedingly efficient low-temperature catalytic activity and good recyclability in the catalytic reduction of nitroaromatic compounds (NACs) and azo dyes. The developed catalytic system provides a distinguishing insight for the artificial preparation of Ru NPs with desired sizes, and allows for the development of rational design rules for exploring catalysts with superior catalytic performances, potentially broadening the applications of metallic NP-enabled catalytic analysis.

A generalized model for homogenized reflectors

International Nuclear Information System (INIS)

Pogosbekyan, Leonid; Kim, Yeong Il; Kim, Young Jin; Joo, Hyung Kook

1996-01-01

A new concept of equivalent homogenization is proposed. The concept employs new set of homogenized parameters: homogenized cross sections (XS) and interface matrix (IM), which relates partial currents at the cell interfaces. The idea of interface matrix generalizes the idea of discontinuity factors (DFs), proposed and developed by K. Koebke and K. Smith. The method of K. Smith can be simulated within framework of new method, while the new method approximates hetero-geneous cell better in case of the steep flux gradients at the cell interfaces. The attractive shapes of new concept are:improved accuracy, simplicity of incorporation in the existing codes, equal numerical expenses in comparison to the K. Smith's approach. The new concept is useful for: (a) explicit reflector/baffle simulation; (b)control blades simulation; (c) mixed UO 2 /MOX core simulation. The offered model has been incorporated in the finite difference code and in the nodal code PANBOX. The numerical results show good accuracy of core calculations and insensitivity of homogenized parameters with respect to in-core conditions

Orion EFT-1 Catalytic Tile Experiment Overview and Flight Measurements

Science.gov (United States)

Salazar, Giovanni; Amar, Adam; Hyatt, Andrew; Rezin, Marc D.

2016-01-01

This paper describes the design and results of a surface catalysis flight experiment flown on the Orion Multipurpose Crew Vehicle during Exploration Flight Test 1 (EFT1). Similar to previous Space Shuttle catalytic tile experiments, the present test consisted of a highly catalytic coating applied to an instrumented TPS tile. However, the present catalytic tile experiment contained significantly more instrumentation in order to better resolve the heating overshoot caused by the change in surface catalytic efficiency at the interface between two distinct materials. In addition to collecting data with unprecedented spatial resolution of the "overshoot" phenomenon, the experiment was also designed to prove if such a catalytic overshoot would be seen in turbulent flow in high enthalpy regimes. A detailed discussion of the results obtained during EFT1 is presented, as well as the challenges associated with data interpretation of this experiment. Results of material testing carried out in support of this flight experiment are also shown. Finally, an inverse heat conduction technique is employed to reconstruct the flight environments at locations upstream and along the catalytic coating. The data and analysis presented in this work will greatly contribute to our understanding of the catalytic "overshoot" phenomenon, and have a significant impact on the design of future spacecraft.

Dissolution test for homogeneity of mixed oxide fuel pellets

International Nuclear Information System (INIS)

Lerch, R.E.

1979-08-01

Experiments were performed to determine the relationship between fuel pellet homogeneity and pellet dissolubility. Although, in general, the amount of pellet residue decreased with increased homogeneity, as measured by the pellet figure of merit, the relationship was not absolute. Thus, all pellets with high figure of merit (excellent homogeneity) do not necessarily dissolve completely and all samples that dissolve completely do not necessarily have excellent homogeneity. It was therefore concluded that pellet dissolubility measurements could not be substituted for figure of merit determinations as a measurement of pellet homogeneity. 8 figures, 3 tables

Networks of high mutual information define the structural proximity of catalytic sites: implications for catalytic residue identification.

Directory of Open Access Journals (Sweden)

Cristina Marino Buslje

Full Text Available Identification of catalytic residues (CR is essential for the characterization of enzyme function. CR are, in general, conserved and located in the functional site of a protein in order to attain their function. However, many non-catalytic residues are highly conserved and not all CR are conserved throughout a given protein family making identification of CR a challenging task. Here, we put forward the hypothesis that CR carry a particular signature defined by networks of close proximity residues with high mutual information (MI, and that this signature can be applied to distinguish functional from other non-functional conserved residues. Using a data set of 434 Pfam families included in the catalytic site atlas (CSA database, we tested this hypothesis and demonstrated that MI can complement amino acid conservation scores to detect CR. The Kullback-Leibler (KL conservation measurement was shown to significantly outperform both the Shannon entropy and maximal frequency measurements. Residues in the proximity of catalytic sites were shown to be rich in shared MI. A structural proximity MI average score (termed pMI was demonstrated to be a strong predictor for CR, thus confirming the proposed hypothesis. A structural proximity conservation average score (termed pC was also calculated and demonstrated to carry distinct information from pMI. A catalytic likeliness score (Cls, combining the KL, pC and pMI measures, was shown to lead to significantly improved prediction accuracy. At a specificity of 0.90, the Cls method was found to have a sensitivity of 0.816. In summary, we demonstrate that networks of residues with high MI provide a distinct signature on CR and propose that such a signature should be present in other classes of functional residues where the requirement to maintain a particular function places limitations on the diversification of the structural environment along the course of evolution.

Networks of high mutual information define the structural proximity of catalytic sites: implications for catalytic residue identification.

Science.gov (United States)

Marino Buslje, Cristina; Teppa, Elin; Di Doménico, Tomas; Delfino, José María; Nielsen, Morten

2010-11-04

Identification of catalytic residues (CR) is essential for the characterization of enzyme function. CR are, in general, conserved and located in the functional site of a protein in order to attain their function. However, many non-catalytic residues are highly conserved and not all CR are conserved throughout a given protein family making identification of CR a challenging task. Here, we put forward the hypothesis that CR carry a particular signature defined by networks of close proximity residues with high mutual information (MI), and that this signature can be applied to distinguish functional from other non-functional conserved residues. Using a data set of 434 Pfam families included in the catalytic site atlas (CSA) database, we tested this hypothesis and demonstrated that MI can complement amino acid conservation scores to detect CR. The Kullback-Leibler (KL) conservation measurement was shown to significantly outperform both the Shannon entropy and maximal frequency measurements. Residues in the proximity of catalytic sites were shown to be rich in shared MI. A structural proximity MI average score (termed pMI) was demonstrated to be a strong predictor for CR, thus confirming the proposed hypothesis. A structural proximity conservation average score (termed pC) was also calculated and demonstrated to carry distinct information from pMI. A catalytic likeliness score (Cls), combining the KL, pC and pMI measures, was shown to lead to significantly improved prediction accuracy. At a specificity of 0.90, the Cls method was found to have a sensitivity of 0.816. In summary, we demonstrate that networks of residues with high MI provide a distinct signature on CR and propose that such a signature should be present in other classes of functional residues where the requirement to maintain a particular function places limitations on the diversification of the structural environment along the course of evolution.

Heterogeneous catalytic degradation of polyacrylamide solution | Hu ...

African Journals Online (AJOL)

Modified with trace metal elements, the catalytic activity of Fe2O3/Al2O3 could be changed greatly. Among various trace metal elements, Fe2O3/Al2O3 catalysts modified with Co and Cu showed great increase on catalytic activity. International Journal of Engineering, Science and Technology, Vol. 2, No. 7, 2010, pp. 110- ...

Homogenization patterns of the world's freshwater fish faunas.

Science.gov (United States)

Villéger, Sébastien; Blanchet, Simon; Beauchard, Olivier; Oberdorff, Thierry; Brosse, Sébastien

2011-11-01

The world is currently undergoing an unprecedented decline in biodiversity, which is mainly attributable to human activities. For instance, nonnative species introduction, combined with the extirpation of native species, affects biodiversity patterns, notably by increasing the similarity among species assemblages. This biodiversity change, called taxonomic homogenization, has rarely been assessed at the world scale. Here, we fill this gap by assessing the current homogenization status of one of the most diverse vertebrate groups (i.e., freshwater fishes) at global and regional scales. We demonstrate that current homogenization of the freshwater fish faunas is still low at the world scale (0.5%) but reaches substantial levels (up to 10%) in some highly invaded river basins from the Nearctic and Palearctic realms. In these realms experiencing high changes, nonnative species introductions rather than native species extirpations drive taxonomic homogenization. Our results suggest that the "Homogocene era" is not yet the case for freshwater fish fauna at the worldwide scale. However, the distressingly high level of homogenization noted for some biogeographical realms stresses the need for further understanding of the ecological consequences of homogenization processes.

Homogen Mur - et udviklingsprojekt

DEFF Research Database (Denmark)

Dahl, Torben; Beim, Anne; Sørensen, Peter

1997-01-01

Mølletorvet i Slagelse er det første byggeri i Danmark, hvor ydervæggen er udført af homogene bærende og isolerende teglblokke. Byggeriet viser en række af de muligheder, der både med hensyn til konstruktioner, energiforhold og arkitektur ligger i anvendelsen af homogent blokmurværk.......Mølletorvet i Slagelse er det første byggeri i Danmark, hvor ydervæggen er udført af homogene bærende og isolerende teglblokke. Byggeriet viser en række af de muligheder, der både med hensyn til konstruktioner, energiforhold og arkitektur ligger i anvendelsen af homogent blokmurværk....

Partial substitution of manganese with cerium in SrMnO{sub 3} nano-perovskite catalyst. Effect of the modification on the catalytic combustion of dilute acetone

Energy Technology Data Exchange (ETDEWEB)

Rezlescu, Nicolae, E-mail: nicolae.rezlescu@gmail.com [National Institute of Research and Development for Technical Physics, Iasi (Romania); Rezlescu, Elena; Popa, Paul Dorin; Doroftei, Corneliu [National Institute of Research and Development for Technical Physics, Iasi (Romania); Ignat, Maria [“Al. I. Cuza” University, Faculty of Chemistry, Iasi (Romania)

2016-10-01

Ultrafine SrMn{sub 1−x}Ce{sub x}O{sub 3} (x = 0, 02) perovskites were prepared by self-combustion method and heat treatment at 1000 °C for 4 h. The structure and surface properties were investigated by X-ray powder diffraction, scanning electron microscopy (SEM), EDX spectroscopy, and BET analysis. The catalyst properties of the perovskite nanopowders were tested in the catalytic combustion of dilute acetone at atmospheric pressure. The results revealed that the partial substitution of Mn by Ce ions (x = 0.2) in perovskite structure of SrMnO{sub 3} had significantly improved catalytic activity of the perovskite. The SrMn{sub 0.8}Ce{sub 0,2}O{sub 3} perovskite composition can be a good candidate for catalytic combustion of low concentration acetone (1–2‰ in air) at low temperatures. The acetone conversion over this catalyst exceeds 90% at 200 °C, whereas over SrMnO{sub 3} it is only 50%. Compared with SrMnO{sub 3}, T{sub 50} is decreased by 75 °C and T{sub 90} is decreased by 70 °C. The enhancement of the catalytic activity at a Ce doping of 0.2 may be ascribed to smaller crystallite sizes, larger specific surface area and the presence of Ce and Mn cations with variable valence in the perovskite structure. - Highlights: • A non-conventional method was used to make nanostructured perovskite samples. • XRD study confirms perovskite structure and nanosize of crystallites. • EDX analyses confirm homogeneity and purity of the samples. • The catalytic testing was carried out in the flameless combustion of dilute acetone. • SrMn{sub 0.8}Ce{sub 0.2}O{sub 3} perovskite can be a promising catalyst for acetone combustion at low temperature.

SHORT COMMUNICATION CATALYTIC KINETIC ...

African Journals Online (AJOL)

IV) catalyzes the discoloring reaction of DBS-arsenazo oxidized by potassium bromate, a new catalytic kinetic spectrophotometric method for the determination of trace titanium (IV) was developed. The linear range of the determination of ...

Catalytic Kinetic Resolution of Biaryl Compounds.

Science.gov (United States)

Ma, Gaoyuan; Sibi, Mukund P

2015-08-10

Biaryl compounds with axial chirality are very common in synthetic chemistry, especially in catalysis. Axially chiral biaryls are important due to their biological activities and extensive applications in asymmetric catalysis. Thus the development of efficient enantioselective methods for their synthesis has attracted considerable attention. This Minireview discusses the progress made in catalytic kinetic resolution of biaryl compounds and chronicles significant advances made recently in catalytic kinetic resolution of biaryl scaffolds. © 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim.

synthesis, characterization, electrical and catalytic studies of some

African Journals Online (AJOL)

B. S. Chandravanshi

catalytic activity of the VO(IV) and Mn(III) complexes have been tested in the epoxidation reaction of styrene ... Vanadyl sulfate pentahydrate, chromium chloride hexahydrate, anhydrous ferric ..... The catalytic oxidation of styrene gives the products styrene oxide, benzaldehyde, benzoic acid, ... bond via a radical mechanism.

CATALYTIC KINETIC SPECTROPHOTOMETRIC DETERMINATION ...

African Journals Online (AJOL)

Preferred Customer

acetylchlorophosphonazo(CPApA) by hydrogen peroxide in 0.10 M phosphoric acid. A novel catalytic kinetic-spectrophotometric method is proposed for the determination of copper based on this principle. Copper(II) can be determined spectrophotometrically ...

Catalytic pyrolysis of LDPE leads to valuable resource recovery and reduction of waste problems

Energy Technology Data Exchange (ETDEWEB)

Shah, Jasmin [Institute of Chemical Sciences, University of Peshawar, N.W.F.P. (Pakistan); Jan, M. Rasul [University of Malakand, Chakdara, N.W.F.P. (Pakistan); Mabood, Fazal [Department of Chemistry, University of Malakand, Chakdara, N.W.F.P. (Pakistan); Jabeen, Farah [Department of Chemistry, Sarhad University, N.W.F.P. (Pakistan)

2010-12-15

Recycling of waste polymers has become a necessity because huge piles of those polymers represent a threat to the environment. Used polymers are also a source of energy and valuable chemicals. Used low density polyethylenes (LDPE) were catalytically pyrolysed in a home assembled batch reactor under atmospheric pressure. For maximum conversion into chemicals which could be used for feedstock recovery optimum conditions like temperature, catalyst weight and reaction time were optimized. A wide range of acidic and basic catalysts like silica, calcium carbide, alumina, magnesium oxide, zinc oxide and homogeneous mixture of silica and alumina were tried for this purpose. Though CaC{sub 2} was better on the basis of reaction time, however the efficiency of conversion into liquid for SiO{sub 2} was found to be maximum at optimum conditions. These two catalysts could be picked up as suitable catalysts for catalytic pyrolysis of polyethylene. The results of the column separation using different solvents indicate that the oxide containing catalyst could be best suited for selective conversion into polar and aromatic products while CaC{sub 2} catalyst could be adopted for selective conversion into aliphatic products. The liquid product obtained from catalytic pyrolysis was also characterized by physical and chemical tests. Among the physical tests density, specific gravity, API gravity, viscosity, kinematic viscosity, aniline point, flash point, Watson characterization constant, freezing point, diesel index, refractive index, gross calorific value, Net calorific value and ASTM Distillation were determined according to IP and ASTM standard methods for fuel values. From the physical tests it was observed that the results for the liquid fractions are comparable with the standard results of physical tests for gasoline, kerosene and diesel fuel oil. From the Bromine water and KMnO{sub 4} tests it was observed that liquid obtained is a mixture of olefin and aromatic hydrocarbons

Selective metal binding to Cys-78 within endonuclease V causes an inhibition of catalytic activities without altering nontarget and target DNA binding

International Nuclear Information System (INIS)

Prince, M.A.; Friedman, B.; Gruskin, E.A.; Schrock, R.D. III; Lloyd, R.S.

1991-01-01

T4 endonuclease V is a pyrimidine dimer-specific DNA repair enzyme which has been previously shown not to require metal ions for either of its two catalytic activities or its DNA binding function. However, we have investigated whether the single cysteine within the enzyme was able to bind metal salts and influence the various activities of this repair enzyme. A series of metals (Hg2+, Ag+, Cu+) were shown to inactivate both endonuclease Vs pyrimidine dimer-specific DNA glycosylase activity and the subsequent apurinic nicking activity. The binding of metal to endonuclease V did not interfere with nontarget DNA scanning or pyrimidine dimer-specific binding. The Cys-78 codon within the endonuclease V gene was changed by oligonucleotide site-directed mutagenesis to Thr-78 and Ser-78 in order to determine whether the native cysteine was directly involved in the enzyme's DNA catalytic activities and whether the cysteine was primarily responsible for the metal binding. The mutant enzymes were able to confer enhanced ultraviolet light (UV) resistance to DNA repair-deficient Escherichia coli at levels equal to that conferred by the wild type enzyme. The C78T mutant enzyme was purified to homogeneity and shown to be catalytically active on pyrimidine dimer-containing DNA. The catalytic activities of the C78T mutant enzyme were demonstrated to be unaffected by the addition of Hg2+ or Ag+ at concentrations 1000-fold greater than that required to inhibit the wild type enzyme. These data suggest that the cysteine is not required for enzyme activity but that the binding of certain metals to that amino acid block DNA incision by either preventing a conformational change in the enzyme after it has bound to a pyrimidine dimer or sterically interfering with the active site residue's accessibility to the pyrimidine dimer

Homogeneously dispersed CeO2 nanoparticles on exfoliated hexaniobate nanosheets

Science.gov (United States)

Marques, Thalles M. F.; Strayer, Megan E.; Ghosh, Anupama; Silva, Alexandre; Ferreira, Odair P.; Fujisawa, Kazunori; Alves da Cunha, Jose R.; Abreu, Guilherme J. P.; Terrones, Mauricio; Mallouk, Thomas E.; Viana, Bartolomeu C.

2017-12-01

Hexaniobate nanosheets derived from the parent compound K4Nb6O17 have been decorated with CeO2 nanoparticles by ion exchange with aqueous cerium (IV) solution. Very homogeneous CeO2 nanoparticle decoration of the hexaniobate sheets can be achieved by this method and the resulting composites may absorb visible light. HRTEM images show that ∼3.0 nm diameter CeO2 nanoparticles adhere to hexaniobate nanosheets that are exfoliated and then restacked prior to Ce deposition. The interfacial interaction between CeO2 nanoparticles and nanosheets would be due to an electrostatic attraction mechanism. Raman and XRD measurements have given strong evidence that CeO2 nanoparticles have fluorite structure. EDS, FTIR and XPS results suggest almost complete exchange of TBA+ and K+ by Ce4+. Cerium ion exchange on the acid exchanged parent compound, H2.9K1.1Nb6O17, revealed that the extent of Ce ion exchange is much greater in case of nanosheets, which may be rationalized by the larger surface area available after exfoliation. XPS measurements show that the ratio of Ce4+/Ce3+ is around 4.4, in agreement with the formation of fluorite structure (CeO2). Thus, these CeO2 nanoparticle/nanosheet composites may be useful for catalytic processes.

At-tank Low-Activity Feed Homogeneity Analysis Verification

International Nuclear Information System (INIS)

DOUGLAS, J.G.

2000-01-01

This report evaluates the merit of selecting sodium, aluminum, and cesium-137 as analytes to indicate homogeneity of soluble species in low-activity waste (LAW) feed and recommends possible analytes and physical properties that could serve as rapid screening indicators for LAW feed homogeneity. The three analytes are adequate as screening indicators of soluble species homogeneity for tank waste when a mixing pump is used to thoroughly mix the waste in the waste feed staging tank and when all dissolved species are present at concentrations well below their solubility limits. If either of these conditions is violated, then the three indicators may not be sufficiently chemically representative of other waste constituents to reliably indicate homogeneity in the feed supernatant. Additional homogeneity indicators that should be considered are anions such as fluoride, sulfate, and phosphate, total organic carbon/total inorganic carbon, and total alpha to estimate the transuranic species. Physical property measurements such as gamma profiling, conductivity, specific gravity, and total suspended solids are recommended as possible at-tank methods for indicating homogeneity. Indicators of LAW feed homogeneity are needed to reduce the U.S. Department of Energy, Office of River Protection (ORP) Program's contractual risk by assuring that the waste feed is within the contractual composition and can be supplied to the waste treatment plant within the schedule requirements

Bimetallic Nanoparticles in Alternative Solvents for Catalytic Purposes

Directory of Open Access Journals (Sweden)

Trung Dang-Bao

2017-07-01

Full Text Available Bimetallic nanoparticles represent attractive catalytic systems thanks to the synergy between both partners at the atomic level, mainly induced by electronic effects which in turn are associated with the corresponding structures (alloy, core-shell, hetero-dimer. This type of engineered material can trigger changes in the kinetics of catalyzed processes by variations on the electrophilicity/nucleophilicity of the metal centers involved and also promote cooperative effects to foster organic transformations, including multi-component and multi-step processes. Solvents become a crucial factor in the conception of catalytic processes, not only due to their environmental impact, but also because they can preserve the bimetallic structure during the catalytic reaction and therefore increase the catalyst life-time. In this frame, the present review focuses on the recent works described in the literature concerning the synthesis of bimetallic nanoparticles in non-conventional solvents, i.e., other than common volatile compounds, for catalytic applications.

Catalytic methanol dissociation

International Nuclear Information System (INIS)

Alcinikov, Y.; Fainberg, V.; Garbar, A.; Gutman, M.; Hetsroni, G.; Shindler, Y.; Tatrtakovsky, L.; Zvirin, Y.

1998-01-01

Results of the methanol dissociation study on copper/potassium catalyst with alumina support at various temperatures are presented. The following gaseous and liquid products at. The catalytic methanol dissociation is obtained: hydrogen, carbon monoxide, carbon dioxide, methane, and dimethyl ether. Formation rates of these products are discussed. Activation energies of corresponding reactions are calculated

Highly Dense Isolated Metal Atom Catalytic Sites

DEFF Research Database (Denmark)

Chen, Yaxin; Kasama, Takeshi; Huang, Zhiwei

2015-01-01

-ray diffraction. A combination of electron microscopy images with X-ray absorption spectra demonstrated that the silver atoms were anchored on five-fold oxygen-terminated cavities on the surface of the support to form highly dense isolated metal active sites, leading to excellent reactivity in catalytic oxidation......Atomically dispersed noble-metal catalysts with highly dense active sites are promising materials with which to maximise metal efficiency and to enhance catalytic performance; however, their fabrication remains challenging because metal atoms are prone to sintering, especially at a high metal...... loading. A dynamic process of formation of isolated metal atom catalytic sites on the surface of the support, which was achieved starting from silver nanoparticles by using a thermal surface-mediated diffusion method, was observed directly by using in situ electron microscopy and in situ synchrotron X...

Including lateral interactions into microkinetic models of catalytic reactions

DEFF Research Database (Denmark)

Hellman, Anders; Honkala, Johanna Karoliina

2007-01-01

In many catalytic reactions lateral interactions between adsorbates are believed to have a strong influence on the reaction rates. We apply a microkinetic model to explore the effect of lateral interactions and how to efficiently take them into account in a simple catalytic reaction. Three differ...... different approximations are investigated: site, mean-field, and quasichemical approximations. The obtained results are compared to accurate Monte Carlo numbers. In the end, we apply the approximations to a real catalytic reaction, namely, ammonia synthesis....

Verification of homogenization in fast critical assembly analyses

International Nuclear Information System (INIS)

Chiba, Go

2006-01-01

In the present paper, homogenization procedures for fast critical assembly analyses are investigated. Errors caused by homogenizations are evaluated by the exact perturbation theory. In order to obtain reference solutions, three-dimensional plate-wise transport calculations are performed. It is found that the angular neutron flux along plate boundaries has a significant peak in the fission source energy range. To treat this angular dependence accurately, the double-Gaussian Chebyshev angular quadrature set with S 24 is applied. It is shown that the difference between the heterogeneous leakage theory and the homogeneous theory is negligible, and that transport cross sections homogenized with neutron flux significantly underestimate neutron leakage. The error in criticality caused by a homogenization is estimated at about 0.1%Δk/kk' in a small fast critical assembly. In addition, the neutron leakage is overestimated by both leakage theories when sodium plates in fuel lattices are voided. (author)

Cosmic homogeneity: a spectroscopic and model-independent measurement

Science.gov (United States)

Gonçalves, R. S.; Carvalho, G. C.; Bengaly, C. A. P., Jr.; Carvalho, J. C.; Bernui, A.; Alcaniz, J. S.; Maartens, R.

2018-03-01

Cosmology relies on the Cosmological Principle, i.e. the hypothesis that the Universe is homogeneous and isotropic on large scales. This implies in particular that the counts of galaxies should approach a homogeneous scaling with volume at sufficiently large scales. Testing homogeneity is crucial to obtain a correct interpretation of the physical assumptions underlying the current cosmic acceleration and structure formation of the Universe. In this letter, we use the Baryon Oscillation Spectroscopic Survey to make the first spectroscopic and model-independent measurements of the angular homogeneity scale θh. Applying four statistical estimators, we show that the angular distribution of galaxies in the range 0.46 < z < 0.62 is consistent with homogeneity at large scales, and that θh varies with redshift, indicating a smoother Universe in the past. These results are in agreement with the foundations of the standard cosmological paradigm.

Processing and structural characterization of porous reforming catalytic films

International Nuclear Information System (INIS)

Hou Xianghui; Williams, Jey; Choy, Kwang-Leong

2006-01-01

Nickel-based catalysts are often used to reform methanol into hydrogen. The preparation and installation of these catalysts are costly and laborious. As an alternative, directly applying catalytic films onto the separator components can improve the manufacturing efficiency. This paper reports the successful deposition of adherent porous NiO-Al 2 O 3 -based catalytic films with well-controlled stoichiometry, using a single-step Aerosol Assisted Chemical Vapour Deposition (AACVD) method. The microstructure, composition and crystalline phase of the as-deposited catalytic films are characterized using a combination of X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared (FTIR) Spectrometer. The results have demonstrated the capability of AACVD to produce porous NiO-Al 2 O 3 -based catalytic films

A Modified Homogeneous Balance Method and Its Applications

International Nuclear Information System (INIS)

Liu Chunping

2011-01-01

A modified homogeneous balance method is proposed by improving some key steps in the homogeneous balance method. Bilinear equations of some nonlinear evolution equations are derived by using the modified homogeneous balance method. Generalized Boussinesq equation, KP equation, and mKdV equation are chosen as examples to illustrate our method. This approach is also applicable to a large variety of nonlinear evolution equations. (general)

Theory of potentiostatic current transients for coupled catalytic reaction at random corrugated fractal electrode

International Nuclear Information System (INIS)

Jha, Shailendra K.; Kant, Rama

2010-01-01

We developed a mathematical model for the first order homogeneous catalytic chemical reaction coupled with an electron transfer (EC') on a rough working electrode. Results are obtained for the various roughness models of electrode corrugations, viz., (i) roughness as an exact periodic function, (ii) roughness as a random function with known statistical properties, and (iii) roughness as a random function with statistical self-affine fractality over a finite range of length scales. Method of Green's function is used in the formulation to obtain second-order perturbation (in roughness profile) expressions for the concentration, the local current density and the current transients. A general operator structure between these quantities and arbitrary roughness profile is emphasized. The statistically averaged (randomly rough) electrode response is obtained by an ensemble averaging over all possible surface configurations. An elegant mathematical formula between the average electrochemical current transient and surface structure factor or power-spectrum of roughness is obtained. This formula is used to obtain an explicit equation for the current on an approximately self-affine (or realistic) fractal electrode with a limited range of length scales of irregularities. This description of realistic fractal is obtained by cutoff power law power-spectrum of roughness. The realistic fractal power-spectrum consists of four physical characteristics, viz., the fractal dimension (D H ), lower (l) and upper (L) cutoff length scales of fractality and a proportionality factor (μ), which is related to the topothesy or strength of fractality. Numerical calculations are performed on final results to understand the effect of catalytic reaction and fractal morphological characteristics on potentiostatic current transients.

Multilevel Monte Carlo Approaches for Numerical Homogenization

KAUST Repository

Efendiev, Yalchin R.; Kronsbein, Cornelia; Legoll, Fré dé ric

2015-01-01

it comes to homogenized solutions, different levels of coarse-grid meshes are used to solve the homogenized equation. We show that, by carefully selecting the number of realizations at each level, we can achieve a speed-up in the computations in comparison

Catalytic conversion of ethanol on H-Y zeolite

Directory of Open Access Journals (Sweden)

Čegar Nedeljko

2005-01-01

Full Text Available The catalytic activity of the H-form of synthetic zeolite NaY was examined in this study. The catalytic activity was determined according to the rate of ethanol conversion in a gas phase in the static system. In the conversion of ethanol on synthetic NaY zeolite at 585, 595, and 610 K, on which the reaction develops at an optimal rate, ethene and diethyl ether are evolved in approximately the same quantity. After transforming the NaY zeolite into the H-form, its catalytic activity was extremely increases so, the reaction develops at a significantly lower temperature with a very large increase in the reaction rate. The distribution of the products also changes, so that at lower temperatures diethyl ether is elvolved in most cases, and the development of ethene is favored at higher ones, and after a certain period of time there is almost complete conversion of ethanol into ethene. The increase in catalytic activity, as well as the change of selectivity of conversion of ethanol on the H-form of zeolite, is the result of removing Na+ cations in the NaY zeolite, so that more acidic catalyst is obtained which contains a number of acidic catalytically active centers, as well as a more powerful one compared to the original NaY zeolite.

Catalytic characterization of bi-functional catalysts derived from Pd ...

Indian Academy of Sciences (India)

Unknown

1995; Lyubovsky and Pfefferle 1999; Sales et al 1999;. Hill et al 2000). ... For a catalytic system, whose activity ... catalytic systems containing Pd, supported on various acid- ..... Further studies are needed to optimize a balance between.

Catalytic membrane in reduction of aqueous nitrates: operational principles and catalytic performance

NARCIS (Netherlands)

Ilinitch, O.M.; Cuperus, F.P.; Nosova, L.V.; Gribov, E.N.

2000-01-01

The catalytic membrane with palladium-copper active component supported over the macroporous ceramic membrane, and a series of γ-Al 2O 3 supported Pd-Cu catalysts were prepared and investigated. In reduction of nitrate ions by hydrogen in water at ambient temperature, pronounced internal diffusion

Speciation of mercury in fish samples by flow injection catalytic cold vapour atomic absorption spectrometry

International Nuclear Information System (INIS)

Zhang Yanlin; Adeloju, Samuel B.

2012-01-01

Highlights: ► Successful speciation of inorganic and organic Hg with Fe 3+ , Cu 2+ and thiourea as catalysts. ► Best sensitivity enhancement and similar sensitivity for MeHg and Hg 2+ with Fe 3+ . ► Successful use of Hg 2+ as the primary standard for quantification of inorganic and total-Hg. ► Quantitative extraction of Hg and MeHg with 2 M HCl which contained thiourea. ► Integration with FIA for rapid analysis with a sample throughput of 180 h −1 . - Abstract: A rapid flow injection catalytic cold vapour atomic absorption spectrometric (FI-CCV-AAS) method is described for speciation and determination of mercury in biological samples. Varying concentrations of NaBH 4 were employed for mercury vapour generation from inorganic and mixture of inorganic and organic (total) Hg. The presence of Fe 3+ , Cu 2+ and thiourea had catalytic effect on mercury vapour generation from methylmercury (MeHg) and, when together, Cu 2+ and thiourea had synergistic catalytic effect on the vapour generation. Of the two metal ions, Fe 3+ gave the best sensitivity enhancement, achieving the same sensitivity for MeHg and inorganic Hg 2+ . Due to similarity of resulting sensitivity, Hg 2+ was used successfully as a primary standard for quantification of inorganic and total Hg. The catalysis was homogeneous in nature, and it was assumed that the breaking of the C-Hg bond was facilitated by the delocalization of the 5d electron pairs in Hg atom. The extraction of MeHg and inorganic mercury (In-Hg) in fish samples were achieved quantitatively with hydrochloric acid in the presence of thiourea and determined by FI-CCV-AAS. The application of the method to the quantification of mercury species in a fish liver reference material DOLT-4 gave 91.5% and 102.3% recoveries for total and methyl mercury, respectively. The use of flow injection enabled rapid analysis with a sample throughput of 180 h −1 .

Hydrogen Production From catalytic reforming of greenhouse gases ...

African Journals Online (AJOL)

ADOWIE PERE

a fixed bed stainless steel reactor. The 20wt%. ... catalytic activity for hydrogen production with the highest yield and selectivity of 32.5% and 17.6% respectively. © JASEM ... CO2 reforming of methane is however not fully developed ..... Design and preparation of .... catalytic nickel membrane for gas to liquid (GTL) process.

At the frontier between heterogeneous and homogeneous catalysis: hydrogenation of olefins and alkynes with soluble iron nanoparticles.

Science.gov (United States)

Rangheard, Claudine; de Julián Fernández, César; Phua, Pim-Huat; Hoorn, Johan; Lefort, Laurent; de Vries, Johannes G

2010-09-28

The use of non-supported Fe nanoparticles in the hydrogenation of unsaturated C-C bonds is a green catalytic concept at the frontier between homogeneous and heterogeneous catalysis. Iron nanoparticles can be obtained by reducing Fe salts with strong reductants in various solvents. FeCl(3) reduced by 3 equivalents of EtMgCl forms an active catalyst for the hydrogenation of a range of olefins and alkynes. Olefin hydrogenation is relatively fast at 5 bar using 5 mol% of catalyst. The catalyst is also active for terminal olefins and 1,1' and 1,2-cis disubstituted olefins while trans-olefins react much slower. 1-Octyne is hydrogenated to mixtures of 1-octene and octane. Kinetic studies led us to propose a mechanism for this latter transformation where octane is obtained by two different pathways. Characterization of the nanoparticles via TEM, magnetic measurements and poisoning experiments were undertaken to understand the true nature of our catalyst.

Effect of Water Content on Properties of Homogeneous [bmim]Fe(IIICl4–H2O Mixtures and Their Application in Oxidative Absorption of H2S

Directory of Open Access Journals (Sweden)

Jianhong Wang

2018-01-01

Full Text Available The potential of 1-butyl-3-methylimidazolium tetrachloroferrate ([bmim]Fe(IIICl4 for replacing an iron(III chelate catalytic solution in the catalytic oxidation of H2S is attributed to its no side reaction and no degradation of the chelating agent. The catalytic oxidation product of water in non-aqueous [bmim]Fe(IIICl4 possibly has an influence on the oxidative absorption of H2S. Water and hydrophobic [bmim]Fe(IIICl4 mixtures at water volume percents from 40% to 70% formed separate phases after srirring, without affecting the oxidative absorption of hydrogen sulfide. Then, studies on the properties of homogeneous [bmim]Fe(IIICl4–H2O mixtures at water volume percents in the range of 5.88–30% and above 80% reveal that these mixtures are both Brønsted and Lewis acids at vol % (H2O ≤ 30%, and only Lewis acids at vol % (H2O ≥ 80%. Raman spectra showed that [bmim]Fe(IIICl4 was the dominating species at vol % (H2O ≤ 30%, in contrast, [bmim]Fe(IIICl4 decomposed into FeCl3·2H2O and [bmim]Cl at vol % (H2O ≥ 80%. Further research on oxidative absorption of H2S by homogeneous [bmim]Fe(IIICl4–H2O mixtures demonstrated that [bmim]Fe(IIICl4 was reduced by H2S to [bmim]Fe(IICl4H and FeCl3·2H2O was reduced to FeCl2, at the same time, H2S was oxidized to S8. In addition, the decrease in acidity caused by increasing the water content increased the weight percent of absorbed H2S, and decreased volatile HCl emissions. However, it is difficult to prevent the suspended S8 generated at vol % (H2O ≥ 80% from the formation of sulfur blockage. Therefore, oxidative absorption of H2S by [bmim]Fe(IIICl4–H2O mixtures is feasible at vol % (H2O < 80% without sulfur blockage.

Homogenization in powder compacts of UO2-PuO2

International Nuclear Information System (INIS)

Verma, R.

1979-01-01

The homogenization kinetics in mixed UO 2 -PuO 2 compacts have been studied by adopting a concentric core-shell model of diffusion. An equation relating the extent of homogenization expressed in terms of the fraction of UO 2 remaining undissolved and the time of annealing has been derived. From the equation, the periods required at different annealing temperatures to attain a specified level of homogenization have been calculated. These calculated homogenization times have been found to be in fair agreement with the experimentally observed homogenization times. The derived relationship has also been shown to satisfactorily predict homogenization in Cu-Ni powder compacts. (Auth.)

Enhanced propylene production in FCC by novel catalytic materials

Energy Technology Data Exchange (ETDEWEB)

Kelkar, C.P.; Harris, D.; Xu, M.; Fu, J. [BASF Catalyst LLC, Iselin, NJ (United States)

2007-07-01

Fluid catalytic cracking is expected to increasingly supply the additional incremental requirements for propylene. The most efficient route to increase propylene yield from an FCC unit is through the use of medium pore zeolites such as ZSM-5. ZSM-5 zeolite cracks near linear olefins in the gasoline range to LPG olefins such as propylene and butylenes. This paper will describe catalytic approaches to increase gasoline range olefins and the chemistry of ZSM-5 to crack those olefins. The paper will also describe novel catalytic materials designed to increase propylene. (orig.)

Homogeneity and Entropy

Science.gov (United States)

Tignanelli, H. L.; Vazquez, R. A.; Mostaccio, C.; Gordillo, S.; Plastino, A.

1990-11-01

RESUMEN. Presentamos una metodologia de analisis de la homogeneidad a partir de la Teoria de la Informaci6n, aplicable a muestras de datos observacionales. ABSTRACT:Standard concepts that underlie Information Theory are employed in order design a methodology that enables one to analyze the homogeneity of a given data sample. Key : DATA ANALYSIS

Selection of suitable prodrug candidates for in vivo studies via in vitro studies; the correlation of prodrug stability in between cell culture homogenates and human tissue homogenates.

Science.gov (United States)

Tsume, Yasuhiro; Amidon, Gordon L

2012-01-01

To determine the correlations/discrepancies of drug stabilities between in the homogenates of human culture cells and of human tissues. Amino acid/dipeptide monoester prodrugs of floxuridine were chosen as the model drugs. The stabilities (half-lives) of floxuridine prodrugs in human tissues (pancreas, liver, and small intestine) homogenates were obtained and compared with ones in cell culture homogenates (AcPC-1, Capan-2, and Caco-2 cells) as well as human liver microsomes. The correlations of prodrug stability in human small bowel tissue homogenate vs. Caco-2 cell homogenate, human liver tissue homogenate vs. human liver microsomes, and human pancreatic tissue homogenate vs. pancreatic cell, AsPC-1 and Capan-2, homogenates were examined. The stabilities of floxuridine prodrugs in human small bowel homogenate exhibited the great correlation to ones in Caco-2 cell homogenate (slope = 1.0-1.3, r2 = 0.79-0.98). The stability of those prodrugs in human pancreas tissue homogenate also exhibited the good correlations to ones in AsPC-1 and Capan-2 cells homogenates (slope = 0.5-0.8, r2 = 0.58-0.79). However, the correlations of prodrug stabilities between in human liver tissue homogenates and in human liver microsomes were weaker than others (slope = 1.3-1.9, r2 = 0.07-0.24). The correlations of drug stabilities in cultured cell homogenates and in human tissue homogenates were compared. Those results exhibited wide range of correlations between in cell homogenate and in human tissue homogenate (r2 = 0.07 - 0.98). Those in vitro studies in cell homogenates would be good tools to predict drug stabilities in vivo and to select drug candidates for further developments. In the series of experiments, 5'-O-D-valyl-floxuridine and 5'-O-L-phenylalanyl-L-tyrosyl-floxuridine would be selected as candidates of oral drug targeting delivery for cancer chemotherapy due to their relatively good stabilities compared to other tested prodrugs.

A study on naphtha catalytic reforming reactor simulation and analysis.

Science.gov (United States)

Liang, Ke-min; Guo, Hai-yan; Pan, Shi-wei

2005-06-01

A naphtha catalytic reforming unit with four reactors in series is analyzed. A physical model is proposed to describe the catalytic reforming radial flow reactor. Kinetics and thermodynamics equations are selected to describe the naphtha catalytic reforming reactions characteristics based on idealizing the complex naphtha mixture by representing the paraffin, naphthene, and aromatic groups by single compounds. The simulation results based above models agree very well with actual operation unit data.

A study on naphtha catalytic reforming reactor simulation and analysis

OpenAIRE

Liang, Ke-min; Guo, Hai-yan; Pan, Shi-wei

2005-01-01

A naphtha catalytic reforming unit with four reactors in series is analyzed. A physical model is proposed to describe the catalytic reforming radial flow reactor. Kinetics and thermodynamics equations are selected to describe the naphtha catalytic reforming reactions characteristics based on idealizing the complex naphtha mixture by representing the paraffin, naphthene, and aromatic groups by single compounds. The simulation results based above models agree very well with actual operation uni...

Toward whole-core neutron transport without spatial homogenization

International Nuclear Information System (INIS)

Lewis, E. E.

2009-01-01

Full text of publication follows: A long-term goal of computational reactor physics is the deterministic analysis of power reactor core neutronics without incurring significant discretization errors in the energy, spatial or angular variables. In principle, given large enough parallel configurations with unlimited CPU time and memory, this goal could be achieved using existing three-dimensional neutron transport codes. In practice, however, solving the Boltzmann equation for neutrons over the six-dimensional phase space is made intractable by the nature of neutron cross-sections and the complexity and size of power reactor cores. Tens of thousands of energy groups would be required for faithful cross section representation. Likewise, the numerous material interfaces present in power reactor lattices require exceedingly fine spatial mesh structures; these ubiquitous interfaces preclude effective implementation of adaptive grid, mesh-less methods and related techniques that have been applied so successfully in other areas of engineering science. These challenges notwithstanding, substantial progress continues in the pursuit for more robust deterministic methods for whole-core neutronics analysis. This paper examines the progress over roughly the last decade, emphasizing the space-angle variables and the quest to eliminate errors attributable to spatial homogenization. As prolog we briefly assess 1990's methods used in light water reactor analysis and review the lessons learned from the C5G7 benchmark exercises which were originated in 1999 to appraise the ability of transport codes to perform core calculations without homogenization. We proceed by examining progress over the last decade much of which falls into three areas. These may be broadly characterized as reduced homogenization, dynamic homogenization and planar-axial synthesis. In the first, homogenization in three-dimensional calculations is reduced from the fuel assembly to the pin-cell level. In the second

Catalytic hydrogen recombination for nuclear containments

International Nuclear Information System (INIS)

Koroll, G.W.; Lau, D.W.P.; Dewit, W.A.; Graham, W.R.C.

1994-01-01

Catalytic recombiners appear to be a credible option for hydrogen mitigation in nuclear containments. The passive operation, versatility and ease of back fitting are appealing for existing stations and new designs. Recently, a generation of wet-proofed catalyst materials have been developed at AECL which are highly specific to H 2 -O 2 , are active at ambient temperatures and are being evaluated for containment applications. Two types of catalytic recombiners were evaluated for hydrogen removal in containments based on the AECL catalyst. The first is a catalytic combustor for application in existing air streams such as provided by fans or ventilation systems. The second is an autocatalytic recombiner which uses the enthalpy of reaction to produce natural convective flow over the catalyst elements. Intermediate-scale results obtained in 6 m 3 and 10 m 3 spherical and cylindrical vessels are given to demonstrate self-starting limits, operating limits, removal capacity, scaling parameters, flow resistance, mixing behaviour in the vicinity of an operating recombiner and sensitivity to poisoning, fouling and radiation. (author). 13 refs., 10 figs

Electrochemical catalytic treatment of phenol wastewater

International Nuclear Information System (INIS)

Ma Hongzhu; Zhang Xinhai; Ma Qingliang; Wang Bo

2009-01-01

The slurry bed catalytic treatment of contaminated water appears to be a promising alternative for the oxidation of aqueous organic pollutants. In this paper, the electrochemical oxidation of phenol in synthetic wastewater catalyzed by ferric sulfate and potassium permanganate adsorbed onto active bentonite in slurry bed electrolytic reactor with graphite electrode has been investigated. In order to determine the optimum operating condition, the orthogonal experiments were devised and the results revealed that the system of ferric sulfate, potassium permanganate and active bentonite showed a high catalytic efficiency on the process of electrochemical oxidation phenol in initial pH 5. When the initial concentration of phenol was 0.52 g/L (the initial COD 1214 mg/L), up to 99% chemical oxygen demand (COD) removal was obtained in 40 min. According to the experimental results, a possible mechanism of catalytic degradation of phenol was proposed. Environmental estimation was also done and the results showed that the treated wastewater have little impact on plant growth and could totally be applied to irrigation.

Electrochemical catalytic treatment of phenol wastewater

Energy Technology Data Exchange (ETDEWEB)

Ma Hongzhu, E-mail: hzmachem@snnu.edu.cn [Institute of Energy Chemistry, School of Chemistry and Materials Science, Shaanxi Normal University, Xi' an 710062 (China); Zhang Xinhai [Institute of Energy Chemistry, School of Chemistry and Materials Science, Shaanxi Normal University, Xi' an 710062 (China); Ma Qingliang [Department of Applied Physics, College of Sciences, Taiyuan University of Technology, 030024 Taiyuan (China); Wang Bo [Institute of Energy Chemistry, School of Chemistry and Materials Science, Shaanxi Normal University, Xi' an 710062 (China)

2009-06-15

The slurry bed catalytic treatment of contaminated water appears to be a promising alternative for the oxidation of aqueous organic pollutants. In this paper, the electrochemical oxidation of phenol in synthetic wastewater catalyzed by ferric sulfate and potassium permanganate adsorbed onto active bentonite in slurry bed electrolytic reactor with graphite electrode has been investigated. In order to determine the optimum operating condition, the orthogonal experiments were devised and the results revealed that the system of ferric sulfate, potassium permanganate and active bentonite showed a high catalytic efficiency on the process of electrochemical oxidation phenol in initial pH 5. When the initial concentration of phenol was 0.52 g/L (the initial COD 1214 mg/L), up to 99% chemical oxygen demand (COD) removal was obtained in 40 min. According to the experimental results, a possible mechanism of catalytic degradation of phenol was proposed. Environmental estimation was also done and the results showed that the treated wastewater have little impact on plant growth and could totally be applied to irrigation.

Homogenization models for thin rigid structured surfaces and films.

Science.gov (United States)

Marigo, Jean-Jacques; Maurel, Agnès

2016-07-01

A homogenization method for thin microstructured surfaces and films is presented. In both cases, sound hard materials are considered, associated with Neumann boundary conditions and the wave equation in the time domain is examined. For a structured surface, a boundary condition is obtained on an equivalent flat wall, which links the acoustic velocity to its normal and tangential derivatives (of the Myers type). For a structured film, jump conditions are obtained for the acoustic pressure and the normal velocity across an equivalent interface (of the Ventcels type). This interface homogenization is based on a matched asymptotic expansion technique, and differs slightly from the classical homogenization, which is known to fail for small structuration thicknesses. In order to get insight into what causes this failure, a two-step homogenization is proposed, mixing classical homogenization and matched asymptotic expansion. Results of the two homogenizations are analyzed in light of the associated elementary problems, which correspond to problems of fluid mechanics, namely, potential flows around rigid obstacles.

Influence of preparation conditions of hollow silica–nickel composite spheres on their catalytic activity for hydrolytic dehydrogenation of ammonia borane

Energy Technology Data Exchange (ETDEWEB)

Umegaki, Tetsuo, E-mail: umegaki.tetsuo@nihon-u.ac.jp [Department of Materials and Applied Chemistry, College of Science and Engineering, Nihon University, 1-8-14, Kanda-Surugadai, Chiyoda-Ku, Tokyo 101-8308 (Japan); Seki, Ayano [Department of Materials and Applied Chemistry, College of Science and Engineering, Nihon University, 1-8-14, Kanda-Surugadai, Chiyoda-Ku, Tokyo 101-8308 (Japan); Xu, Qiang [National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Kojima, Yoshiyuki [Department of Materials and Applied Chemistry, College of Science and Engineering, Nihon University, 1-8-14, Kanda-Surugadai, Chiyoda-Ku, Tokyo 101-8308 (Japan)

2014-03-05

Highlights: • We study influence of preparation conditions on activity of hollow silica–nickel composite spheres. • The activity for hydrolytic dehydrogenation of NH{sub 3}BH{sub 3} increases with increase of Si+Ni content. • The particle size distribution affects the activity and reducibility of active nickel species. • The amount of PS residue in the hollow spheres decreases by treatment of as-prepared sample in toluene. -- Abstract: In this paper, we investigated influence of preparation conditions of hollow silica–nickel composite spheres on their morphology and catalytic activity for hydrolytic dehydrogenation of ammonia borane. In the preparation method of this study, when silica–nickel composite shells were coated on polystyrene templates by the sol–gel method using L(+)-arginine as the promoter for the reaction to form silica–nickel composite shell, the polystyrene templates were dissolved subsequently, even synchronously, in the same medium to form hollow spheres. The as-prepared silica–nickel composite spheres were characterized by transmission electron microscopy and scanning electron microscopy. The effects of Si+Ni content on the morphology were systematically evaluated. All the as-prepared hollow silica–nickel composite spheres have the similar morphology as identified by SEM and TEM measurement. Homogeneity of the hollow silica–nickel composite spheres increases with the increase in the Si+Ni content as shown by the laser diffraction particle size analysis. The catalytic activities of the hollow silica–nickel composite spheres for hydrolytic dehydrogenation of ammonia borane prepared with different Si+Ni contents were compared. The catalytic activity for the hydrogen evolution in the presence of the hollow spheres increases with the increase of Si+Ni content. The results of FTIR spectra of the hollow silica–nickel composite spheres indicate that a certain amount of residual PS templates exists in hollow silica�

Application of microscopy technology in thermo-catalytic methane decomposition to hydrogen

Energy Technology Data Exchange (ETDEWEB)

Mei, Irene Lock Sow, E-mail: irene.sowmei@gmail.com; Lock, S. S. M., E-mail: serenelock168@gmail.com; Abdullah, Bawadi, E-mail: bawadi-abdullah@petronas.com.my [Chemical Engineering Department, Universiti Teknologi PETRONAS, Bandar Sri Iskandar, 31750, Perak (Malaysia)

2015-07-22

Hydrogen production from the direct thermo-catalytic decomposition of methane is a promising alternative for clean fuel production because it produces pure hydrogen without any CO{sub x} emissions. However, thermal decomposition of methane can hardly be of any practical and empirical interest in the industry unless highly efficient and effective catalysts, in terms of both specific activity and operational lifetime have been developed. In this work, bimetallic Ni-Pd on gamma alumina support have been developed for methane cracking process by using co-precipitation and incipient wetness impregnation method. The calcined catalysts were characterized to determine their morphologies and physico-chemical properties by using Brunauer-Emmett-Teller method, Field Emission Scanning Electron Microscopy, Energy-dispersive X-ray spectroscopy and Thermogravimetric Analysis. The results suggested that that the catalyst which is prepared by the co-precipitation method exhibits homogeneous morphology, higher surface area, have uniform nickel and palladium dispersion and higher thermal stability as compared to the catalyst which is prepared by wet impregnation method. This characteristics are significant to avoid deactivation of the catalysts due to sintering and carbon deposition during methane cracking process.

Sintering of Catalytic Nanoparticles: Particle Migration or Ostwald Ripening?

DEFF Research Database (Denmark)

Hansen, Thomas Willum; DeLaRiva, Andrew T.; Challa, Sivakumar R.

2013-01-01

deactivation, is an important mechanism for the loss of catalyst activity. This is especially true for high temperature catalytic processes, such as steam reforming, automotive exhaust treatment, or catalytic combustion. With dwindling supplies of precious metals and increasing demand, fundamental...

Catalytic synthesis of ammonia using vibrationally excited nitrogen molecules

DEFF Research Database (Denmark)

Hansen, Flemming Yssing; Henriksen, Niels Engholm; Billing, Gert D.

1992-01-01

The dissociation of nitrogen is the rate-limiting step in the catalytic synthesis of ammonia. Theoretical calculations have shown that the dissociative sticking probability of molecular nitrogen on catalytic active metal surfaces is enhanced by orders of magnitude when the molecules...

Sewage sludge disintegration by high-pressure homogenization: a sludge disintegration model.

Science.gov (United States)

Zhang, Yuxuan; Zhang, Panyue; Ma, Boqiang; Wu, Hao; Zhang, Sheng; Xu, Xin

2012-01-01

High-pressure homogenization (HPH) technology was applied as a pretreatment to disintegrate sewage sludge. The effects of homogenization pressure, homogenization cycle number, and total solid content on sludge disintegration were investigated. The sludge disintegration degree (DD(COD)), protein concentration, and polysaccharide concentration increased with the increase of homogenization pressure and homogenization cycle number, and decreased with the increase of sludge total solid (TS) content. The maximum DD(COD) of 43.94% was achieved at 80 MPa with four homogenization cycles for a 9.58 g/L TS sludge sample. A HPH sludge disintegration model of DD(COD) = kNaPb was established by multivariable linear regression to quantify the effects of homogenization parameters. The homogenization cycle exponent a and homogenization pressure exponent b were 0.4763 and 0.7324 respectively, showing that the effect of homogenization pressure (P) was more significant than that of homogenization cycle number (N). The value of the rate constant k decreased with the increase of sludge total solid content. The specific energy consumption increased with the increment of sludge disintegration efficiency. Lower specific energy consumption was required for higher total solid content sludge.

Catalytic Wastewater Treatment Using Pillared Clays

Science.gov (United States)

Perathoner, Siglinda; Centi, Gabriele

After introduction on the use of solid catalysts in wastewater treatment technologies, particularly advanced oxidation processes (AOPs), this review discussed the use of pillared clay (PILC) materials in three applications: (i) wet air catalytic oxidation (WACO), (ii) wet hydrogen peroxide catalytic oxidation (WHPCO) on Cu-PILC and Fe-PILC, and (iii) behavior of Ti-PILC and Fe-PILC in the photocatalytic or photo-Fenton conversion of pollutants. Literature data are critically analyzed to evidence the main direction to further investigate, in particularly with reference to the possible practical application of these technologies to treat industrial, municipal, or agro-food production wastewater.

Synthesis and comparative biological evaluation of L- and D-isomers of {sup 18}F-labeled fluoroalkyl phenylalanine derivatives as tumor imaging agents

Energy Technology Data Exchange (ETDEWEB)

Wang Limin [Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104 (United States); Lieberman, Brian P.; Ploessl, Karl; Qu Wenchao [Department of Radiology, University of Pennsylvania, Philadelphia, PA 19104 (United States); Kung, Hank F., E-mail: kunghf@gmail.co [Department of Radiology, University of Pennsylvania, Philadelphia, PA 19104 (United States); Department of Pharmacology, University of Pennsylvania, Philadelphia, PA 19104 (United States)

2011-04-15

Introduction: L-Amino acid-based tracers have established their important role as tumor metabolic imaging agents. Recently, a number of studies demonstrated that D-amino acids may have improved imaging properties than their corresponding L-isomers. We synthesized and evaluated the D-isomer of a new phenylalanine derivative, p-(2-[{sup 18}F]fluoroethyl)-phenylalanine ([{sup 18}F]FEP), in comparison to its L-isomer and previously reported the L- and D-isomers of O-(2-[{sup 18}F]fluoroethyl)-tyrosine ([{sup 18}F]FET). Methods: L- and D-Isomers of [{sup 18}F]FET and [{sup 18}F]FEP were successfully synthesized via a rapid and efficient two-step nucleophilic fluorination and deprotection reaction. In vitro studies were carried out in 9L glioma cells. In in vivo studies, Fisher 344 rats bearing the 9L tumor model were used. Results: L- and D-Isomers of {sup 18}F-fluoroalkyl tyrosine and phenylalanine derivatives were efficiently labeled with high enantiomeric purity (>95%), good yield (11-45%) and high specific activity (21-75 GBq/{mu}mol). D-[{sup 18}F]FEP showed a similar linear time-dependent uptake as D-[{sup 18}F]FET, while their corresponding L-isomers had much faster and higher uptake (4.3- to 16.0-fold at maximum uptake). The maximum uptake of the new compounds, L- and D-[{sup 18}F]FEP, was 1.4- and 5.2-fold of that reported for L- and D-[{sup 18}F]FET, respectively. Transport characterization studies indicated that both L- and D-[{sup 18}F]FEP were selective substrates for system L. While L-[{sup 18}F]FEP exhibited preference towards one subtype of system L, LAT1, D-[{sup 18}F]FEP did not exhibit the same preference. Small animal PET imaging studies showed that both L- and D-[{sup 18}F]FEP had higher uptake in 9L tumor compared to surrounding tissues, but D-isomer had lower tumor-to-muscle ratio in comparison with its L-isomer. Conclusion: Both L- and D-[{sup 18}F]FEP are substrates for system L amino acid transporter with different preference toward its

A non-asymptotic homogenization theory for periodic electromagnetic structures.

Science.gov (United States)

Tsukerman, Igor; Markel, Vadim A

2014-08-08

Homogenization of electromagnetic periodic composites is treated as a two-scale problem and solved by approximating the fields on both scales with eigenmodes that satisfy Maxwell's equations and boundary conditions as accurately as possible. Built into this homogenization methodology is an error indicator whose value characterizes the accuracy of homogenization. The proposed theory allows one to define not only bulk, but also position-dependent material parameters (e.g. in proximity to a physical boundary) and to quantify the trade-off between the accuracy of homogenization and its range of applicability to various illumination conditions.

Homogenization of Large-Scale Movement Models in Ecology

Science.gov (United States)

Garlick, M.J.; Powell, J.A.; Hooten, M.B.; McFarlane, L.R.

2011-01-01

A difficulty in using diffusion models to predict large scale animal population dispersal is that individuals move differently based on local information (as opposed to gradients) in differing habitat types. This can be accommodated by using ecological diffusion. However, real environments are often spatially complex, limiting application of a direct approach. Homogenization for partial differential equations has long been applied to Fickian diffusion (in which average individual movement is organized along gradients of habitat and population density). We derive a homogenization procedure for ecological diffusion and apply it to a simple model for chronic wasting disease in mule deer. Homogenization allows us to determine the impact of small scale (10-100 m) habitat variability on large scale (10-100 km) movement. The procedure generates asymptotic equations for solutions on the large scale with parameters defined by small-scale variation. The simplicity of this homogenization procedure is striking when compared to the multi-dimensional homogenization procedure for Fickian diffusion,and the method will be equally straightforward for more complex models. ?? 2010 Society for Mathematical Biology.

Kinetic study and synergistic interactions on catalytic CO2 gasification of Sudanese lower sulphur petroleum coke and sugar cane bagasse

Directory of Open Access Journals (Sweden)

Elbager M.A. Edreis

2017-04-01

Full Text Available In this study the effects of iron chloride (FeCl3 on the CO2 gasification kinetics of lower sulphur petroleum coke (PC and sugar cane bagasse (SCB via thermogravimetric analyser (TGA were investigated. The FeCl3 loading effects on the thermal behaviour and reactivity of CO2 gasification of PC were studied. The possible synergistic interaction between the PC and SCB was also examined. Then the homogeneous model or first order chemical reaction (O1 and shrinking core models (SCM or phase boundary controlled reactions (R2 and R3 were employed through Coats–Redfern method in order to detect the optimum mechanisms for the catalytic CO2 gasification, describe the best reaction behaviour and determine the kinetic parameters. The results showed that the thermal behaviour of PC is significantly affected by the FeCl3 loading. Among various catalyst loadings, the addition of 7 wt% FeCl3 to PC leads to improve the PC reactivity up to 39% and decrease the activation energy up to 22%. On the other hand, for char gasification stage of SCB and blend, the addition 5 wt% FeCl3 improved their reactivities to 18.7% and 29.8% and decreased the activation energies to 10% and 17%, respectively. The synergistic interaction between the fuel blend was observed in both reaction stages of the blend and became more significant in the pyrolysis stage. For all samples model R2 shows the lowest values of activation energy (E and the highest reaction rates constant (k. Finally, model R2 was the most suitable to describe the reactions of non-catalytic and catalytic CO2 gasification.

Reactivity of organic compounds in catalytic synthesis

Energy Technology Data Exchange (ETDEWEB)

Minachev, Kh M; Bragin, O V

1978-01-01

A comprehensive review of 1976 Soviet research on catalysis delivered to the 1977 annual session of the USSR Academy of Science Council on Catalysis (Baku 6/16-20/77) covers hydrocarbon reactions, including hydrogenation and hydrogenolysis, dehydrogenation, olefin dimerization and disproportionation, and cyclization and dehydrocyclization (e.g., piperylene cyclization and ethylene cyclotrimerization); catalytic and physicochemical properties of zeolites, including cracking, dehydrogenation, and hydroisomerization catalytic syntheses and conversion of heterocyclic and functional hydrocarbon derivatives, including partial and total oxidation (e.g., of o-xylene to phthalic anhydride); syntheses of thiophenes from alkanes and hydrogen sulfide over certain dehydrogenation catalysts; catalytic syntheses involving carbon oxides ( e.g., the development of a new heterogeneous catalyst for hydroformylation of olefins), and of Co-MgO zeolitic catalysts for synthesis of aliphatic hydrocarbons from carbon dioxide and hydrogen, and fabrication of high-viscosity lubricating oils over bifunctional aluminosilicate catalysts.

Component Development to Accelerate Commercial Implementation of Ultra-Low Emissions Catalytic Combustion

Energy Technology Data Exchange (ETDEWEB)

McCarty, Jon; Berry, Brian; Lundberg, Kare; Anson, Orris

2003-03-31

This final report describes a 2000-2003 program for the development of components and processes to enhance the commercialization of ultra-low emissions catalytic combustion in industrial gas turbines. The range of project tasks includes: development of more durable, lower-cost catalysts and catalytic combustor components; development and design of a catalytic pre-burner and a catalytic pilot burner for gas turbines, and on-site fuel conversion processing for utilization of liquid fuel.

Catalytic Conversion of Biofuels

DEFF Research Database (Denmark)

Jørgensen, Betina

This thesis describes the catalytic conversion of bioethanol into higher value chemicals. The motivation has been the unavoidable coming depletion of the fossil resources. The thesis is focused on two ways of utilising ethanol; the steam reforming of ethanol to form hydrogen and the partial oxida...

Direct catalytic hydrothermal liquefaction of spirulina to biofuels with hydrogen

Science.gov (United States)

Zeng, Qin; Liao, Hansheng; Zhou, Shiqin; Li, Qiuping; Wang, Lu; Yu, Zhihao; Jing, Li

2018-01-01

We report herein on acquiring biofuels from direct catalytic hydrothermal liquefaction of spirulina. The component of bio-oil from direct catalytic hydrothermal liquefaction was similar to that from two independent processes (including liquefaction and upgrading of biocrude). However, one step process has higher carbon recovery, due to the less loss of carbons. It was demonstrated that the yield and HHV of bio-oil from direct catalytic algae with hydrothermal condition is higher than that from two independent processes.

Persymmetric Adaptive Detectors of Subspace Signals in Homogeneous and Partially Homogeneous Clutter

Directory of Open Access Journals (Sweden)

Ding Hao

2015-08-01

Full Text Available In the field of adaptive radar detection, an effective strategy to improve the detection performance is to exploit the structural information of the covariance matrix, especially in the case of insufficient reference cells. Thus, in this study, the problem of detecting multidimensional subspace signals is discussed by considering the persymmetric structure of the clutter covariance matrix, which implies that the covariance matrix is persymmetric about its cross diagonal. Persymmetric adaptive detectors are derived on the basis of the one-step principle as well as the two-step Generalized Likelihood Ratio Test (GLRT in homogeneous and partially homogeneous clutter. The proposed detectors consider the structural information of the covariance matrix at the design stage. Simulation results suggest performance improvement compared with existing detectors when reference cells are insufficient. Moreover, the detection performance is assessed with respect to the effects of the covariance matrix, signal subspace dimension, and mismatched performance of signal subspace as well as signal fluctuations.

Highly efficient catalytic systems based on Pd-coated microbeads

Science.gov (United States)

Lim, Jin Hyun; Cho, Ahyoung; Lee, Seung Hwan; Park, Bumkyo; Kang, Dong Woo; Koo, Chong Min; Yu, Taekyung; Park, Bum Jun

2018-01-01

The efficiency of two prototype catalysis systems using palladium (Pd)-coated microparticles was investigated with regard to the recovery and recyclability of the catalytic particles. One such system was the interface-adsorption method, in which polymer particles coated with Pd nanoparticles strongly and irreversibly attach to the oil-water interface. Due to the irreversible adsorption of the catalytic particles to the interface, particle loss was completely prevented while mixing the aqueous solution and while collecting the products. The other system was based on the magnetic field-associated particle recovery method. The use of polymeric microparticles containing Pd nanoparticles and magnetite nanoparticles accelerated the sedimentation of the particles in the aqueous phase by applying a strong magnetic field, consequently suppressing drainage of the particles from the reactor along the product stream. Upon multiple runs of the catalytic reactions, it was found that conversion does not change significantly, demonstrating the excellent recyclability and performance efficiency in the catalytic processes.

Catalytic pyrolysis of microalgae to high-quality liquid bio-fuels

International Nuclear Information System (INIS)

Babich, I.V.; Hulst, M. van der; Lefferts, L.; Moulijn, J.A.; O'Connor, P.; Seshan, K.

2011-01-01

The pyrolytic conversion of chlorella algae to liquid fuel precursor in presence of a catalyst (Na 2 CO 3 ) has been studied. Thermal decomposition studies of the algae samples were performed using TGA coupled with MS. Liquid oil samples were collected from pyrolysis experiments in a fixed-bed reactor and characterized for water content and heating value. The oil composition was analyzed by GC-MS. Pretreatment of chlorella with Na 2 CO 3 influences the primary conversion of chlorella by shifting the decomposition temperature to a lower value. In the presence of Na 2 CO 3 , gas yield increased and liquid yield decreased when compared with non-catalytic pyrolysis at the same temperatures. However, pyrolysis oil from catalytic runs carries higher heating value and lower acidity. Lower content of acids in the bio-oil, higher aromatics, combined with higher heating value show promise for production of high-quality bio-oil from algae via catalytic pyrolysis, resulting in energy recovery in bio-oil of 40%. -- Highlights: → The pyrolytic catalytic conversion of chlorella algae to liquid fuel precursor. → Na 2 CO 3 as a catalyst for the primary conversion of chlorella. → Pyrolysis oil from catalytic runs carries higher heating value and lower acidity. → High-quality bio-oil from algae via catalytic pyrolysis with energy recovery in bio-oil of 40%.

Catalytic partial oxidation of pyrolysis oils

Science.gov (United States)

Rennard, David Carl

2009-12-01

This thesis explores the catalytic partial oxidation (CPO) of pyrolysis oils to syngas and chemicals. First, an exploration of model compounds and their chemistries under CPO conditions is considered. Then CPO experiments of raw pyrolysis oils are detailed. Finally, plans for future development in this field are discussed. In Chapter 2, organic acids such as propionic acid and lactic acid are oxidized to syngas over Pt catalysts. Equilibrium production of syngas can be achieved over Rh-Ce catalysts; alternatively mechanistic evidence is derived using Pt catalysts in a fuel rich mixture. These experiments show that organic acids, present in pyrolysis oils up to 25%, can undergo CPO to syngas or for the production of chemicals. As the fossil fuels industry also provides organic chemicals such as monomers for plastics, the possibility of deriving such species from pyrolysis oils allows for a greater application of the CPO of biomass. However, chemical production is highly dependent on the originating molecular species. As bio oil comprises up to 400 chemicals, it is essential to understand how difficult it would be to develop a pure product stream. Chapter 3 continues the experimentation from Chapter 2, exploring the CPO of another organic functionality: the ester group. These experiments demonstrate that equilibrium syngas production is possible for esters as well as acids in autothermal operation with contact times as low as tau = 10 ms over Rh-based catalysts. Conversion for these experiments and those with organic acids is >98%, demonstrating the high reactivity of oxygenated compounds on noble metal catalysts. Under CPO conditions, esters decompose in a predictable manner: over Pt and with high fuel to oxygen, non-equilibrium products show a similarity to those from related acids. A mechanism is proposed in which ethyl esters thermally decompose to ethylene and an acid, which decarbonylates homogeneously, driven by heat produced at the catalyst surface. Chapter 4

Multi-Stage Selective Catalytic Reduction of NOx in Lean-Burn Engine Exhaust

National Research Council Canada - National Science Library

Penetrante, B

1997-01-01

.... A plasma can also be used to oxidize NO to NO2. This paper compares the multi-stage catalytic scheme with the plasma-assisted catalytic scheme for reduction of NOx in lean-burn engine exhausts. The advantages of plasma oxidation over catalytic oxidation are presented.

Layout optimization using the homogenization method

Science.gov (United States)

Suzuki, Katsuyuki; Kikuchi, Noboru

1993-01-01

A generalized layout problem involving sizing, shape, and topology optimization is solved by using the homogenization method for three-dimensional linearly elastic shell structures in order to seek a possibility of establishment of an integrated design system of automotive car bodies, as an extension of the previous work by Bendsoe and Kikuchi. A formulation of a three-dimensional homogenized shell, a solution algorithm, and several examples of computing the optimum layout are presented in this first part of the two articles.

Selective Homogeneous Catalysis in Asymmetric Synthesis

DEFF Research Database (Denmark)

Fristrup, Peter

of twelve “substrate-probes”, which were designed and synthesized specifically for this purpose. Both the stoichiometric reaction with OsO4 in toluene and the more environmentally benign catalytic reaction in a two-phase system were studied. The obtained experimental results were in good agreement...

Peripheral nerve magnetic stimulation: influence of tissue non-homogeneity

Directory of Open Access Journals (Sweden)

Papazov Sava P

2003-12-01

Full Text Available Abstract Background Peripheral nerves are situated in a highly non-homogeneous environment, including muscles, bones, blood vessels, etc. Time-varying magnetic field stimulation of the median and ulnar nerves in the carpal region is studied, with special consideration of the influence of non-homogeneities. Methods A detailed three-dimensional finite element model (FEM of the anatomy of the wrist region was built to assess the induced currents distribution by external magnetic stimulation. The electromagnetic field distribution in the non-homogeneous domain was defined as an internal Dirichlet problem using the finite element method. The boundary conditions were obtained by analysis of the vector potential field excited by external current-driven coils. Results The results include evaluation and graphical representation of the induced current field distribution at various stimulation coil positions. Comparative study for the real non-homogeneous structure with anisotropic conductivities of the tissues and a mock homogeneous media is also presented. The possibility of achieving selective stimulation of either of the two nerves is assessed. Conclusion The model developed could be useful in theoretical prediction of the current distribution in the nerves during diagnostic stimulation and therapeutic procedures involving electromagnetic excitation. The errors in applying homogeneous domain modeling rather than real non-homogeneous biological structures are demonstrated. The practical implications of the applied approach are valid for any arbitrary weakly conductive medium.

Green technology for conversion of renewable hydrocarbon based on plasma-catalytic approach

Science.gov (United States)

Fedirchyk, Igor; Nedybaliuk, Oleg; Chernyak, Valeriy; Demchina, Valentina

2016-09-01

The ability to convert renewable biomass into fuels and chemicals is one of the most important steps on our path to green technology and sustainable development. However, the complex composition of biomass poses a major problem for established conversion technologies. The high temperature of thermochemical biomass conversion often leads to the appearance of undesirable byproducts and waste. The catalytic conversion has reduced yield and feedstock range. Plasma-catalytic reforming technology opens a new path for biomass conversion by replacing feedstock-specific catalysts with free radicals generated in the plasma. We studied the plasma-catalytic conversion of several renewable hydrocarbons using the air plasma created by rotating gliding discharge. We found that plasma-catalytic hydrocarbon conversion can be conducted at significantly lower temperatures (500 K) than during the thermochemical ( 1000 K) and catalytic (800 K) conversion. By using gas chromatography, we determined conversion products and found that conversion efficiency of plasma-catalytic conversion reaches over 85%. We used obtained data to determine the energy yield of hydrogen in case of plasma-catalytic reforming of ethanol and compared it with other plasma-based hydrogen-generating systems.

Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway

Energy Technology Data Exchange (ETDEWEB)

Biddy, M.; Jones, S.

2013-03-01

This technology pathway case investigates the catalytic conversion of solubilized carbohydrate streams to hydrocarbon biofuels, utilizing data from recent efforts within the National Advanced Biofuels Consortium (NABC) in collaboration with Virent, Inc. Technical barriers and key research needs that should be pursued for the catalytic conversion of sugars pathway to be competitive with petroleum-derived gasoline-, diesel-, and jet-range hydrocarbon blendstocks have been identified.

Spatial homogenization method based on the inverse problem

International Nuclear Information System (INIS)

Tóta, Ádám; Makai, Mihály

2015-01-01

Highlights: • We derive a spatial homogenization method in slab and cylindrical geometries. • The fluxes and the currents on the boundary are preserved. • The reaction rates and the integral of the fluxes are preserved. • We present verification computations utilizing two- and four-energy groups. - Abstract: We present a method for deriving homogeneous multi-group cross sections to replace a heterogeneous region’s multi-group cross sections; providing that the fluxes, the currents on the external boundary, the reaction rates and the integral of the fluxes are preserved. We consider one-dimensional geometries: a symmetric slab and a homogeneous cylinder. Assuming that the boundary fluxes are given, two response matrices (RMs) can be defined concerning the current and the flux integral. The first one derives the boundary currents from the boundary fluxes, while the second one derives the flux integrals from the boundary fluxes. Further RMs can be defined that connects reaction rates to the boundary fluxes. Assuming that these matrices are known, we present formulae that reconstruct the multi-group diffusion cross-section matrix, the diffusion coefficients and the reaction cross sections in case of one-dimensional (1D) homogeneous regions. We apply these formulae to 1D heterogeneous regions and thus obtain a homogenization method. This method produces such an equivalent homogeneous material, that the fluxes and the currents on the external boundary, the reaction rates and the integral of the fluxes are preserved for any boundary fluxes. We carry out the exact derivations in 1D slab and cylindrical geometries. Verification computations for the presented homogenization method were performed using two- and four-group material cross sections, both in a slab and in a cylindrical geometry

Homogeneous bilateral block shifts

Indian Academy of Sciences (India)

Douglas class were classified in [3]; they are unilateral block shifts of arbitrary block size (i.e. dim H(n) can be anything). However, no examples of irreducible homogeneous bilateral block shifts of block size larger than 1 were known until now.

Janus droplet as a catalytic micromotor

Science.gov (United States)

Shklyaev, Sergey

2015-06-01

Self-propulsion of a Janus droplet in a solution of surfactant, which reacts on a half of a drop surface, is studied theoretically. The droplet acts as a catalytic motor creating a concentration gradient, which generates its surface-tension-driven motion; the self-propulsion speed is rather high, 60 μ \\text{m/s} and more. This catalytic motor has several advantages over other micromotors: simple manufacturing, easily attained neutral buoyancy. In contrast to a single-fluid droplet, which demonstrates a self-propulsion as a result of symmetry breaking instability, for the Janus one no stability threshold exists; hence, the droplet radius can be scaled down to micrometers.

Hydrogen production via catalytic processing of renewable feedstocks

International Nuclear Information System (INIS)

Nazim Muradov; Franklyn Smith; Ali T-Raissi

2006-01-01

Landfill gas (LFG) and biogas can potentially become important feedstocks for renewable hydrogen production. The objectives of this work were: (1) to develop a catalytic process for direct reforming of CH 4 -CO 2 gaseous mixture mimicking LFG, (2) perform thermodynamic analysis of the reforming process using AspenPlus chemical process simulator, (3) determine operational conditions for auto-thermal (or thermo-neutral) reforming of a model CH 4 -CO 2 feedstock, and (4) fabricate and test a bench-scale hydrogen production unit. Experimental data obtained from catalytic reformation of the CH 4 -CO 2 and CH 4 -CO 2 -O 2 gaseous mixtures using Ni-catalyst were in a good agreement with the simulation results. It was demonstrated that catalytic reforming of LFG-mimicking gas produced hydrogen with the purity of 99.9 vol.%. (authors)

Heterogeneous-catalytic redox reactions in nitrate - formate systems

International Nuclear Information System (INIS)

Ananiev, A.V.; Shilov, V.P.; Tananaev, I.G.; Brossard, Ph.; Broudic, J.Ch.

2000-01-01

It was found that an intensive destruction of various organic and mineral substances - usual components of aqueous waste solutions (oxalic acid, complexones, urea, hydrazine, ammonium nitrate, etc.) takes place under the conditions of catalytic denitration. Kinetics and mechanisms of urea and ammonium nitrate decomposition in the system HNO 3 - HCOOH - Pt/SiO 2 are comprehensively investigated. The behaviour of uranium, neptunium and plutonium under the conditions of catalytic denitration is studied. It is shown, that under the certain conditions the formic acid is an effective reducer of the uranium (VI), neptunium (VI, V) and plutonium (VI, IV) ions. Kinetics of heterogeneous-catalytic red-ox reactions of uranium (VI), neptunium (VI, V) and plutonium (VI, IV) with formic acid are investigated. The mechanisms of the appropriate reactions are evaluated. (authors)

Homogenization patterns of the world’s freshwater fish faunas

Science.gov (United States)

Villéger, Sébastien; Blanchet, Simon; Beauchard, Olivier; Oberdorff, Thierry; Brosse, Sébastien

2011-01-01

The world is currently undergoing an unprecedented decline in biodiversity, which is mainly attributable to human activities. For instance, nonnative species introduction, combined with the extirpation of native species, affects biodiversity patterns, notably by increasing the similarity among species assemblages. This biodiversity change, called taxonomic homogenization, has rarely been assessed at the world scale. Here, we fill this gap by assessing the current homogenization status of one of the most diverse vertebrate groups (i.e., freshwater fishes) at global and regional scales. We demonstrate that current homogenization of the freshwater fish faunas is still low at the world scale (0.5%) but reaches substantial levels (up to 10%) in some highly invaded river basins from the Nearctic and Palearctic realms. In these realms experiencing high changes, nonnative species introductions rather than native species extirpations drive taxonomic homogenization. Our results suggest that the “Homogocene era” is not yet the case for freshwater fish fauna at the worldwide scale. However, the distressingly high level of homogenization noted for some biogeographical realms stresses the need for further understanding of the ecological consequences of homogenization processes. PMID:22025692

Observational homogeneity of the Universe

International Nuclear Information System (INIS)

Bonnor, W.B.; Ellis, G.F.R.

1986-01-01

A new approach to observational homogeneity is presented. The observation that stars and galaxies in distant regions appear similar to those nearby may be taken to imply that matter has had a similar thermodynamic history in widely separated parts of the Universe (the Postulate of Uniform Thermal Histories, or PUTH). The supposition is now made that similar thermodynamic histories imply similar dynamical histories. Then the distant apparent similarity is evidence for spatial homogeneity of the Universe. General Relativity is used to test this idea, taking a perfect fluid model and implementing PUTH by the condition that the density and entropy per baryon shall be the same function of the proper time along all galaxy world-lines. (author)

Catalytic flash pyrolysis of oil-impregnated-wood and jatropha cake using sodium based catalysts

NARCIS (Netherlands)

Ali Imran, A.; Bramer, Eduard A.; Seshan, Kulathuiyer; Brem, Gerrit

2016-01-01

Catalytic pyrolysis of wood with impregnated vegetable oil was investigated and compared with catalytic pyrolysis of jatropha cake making use of sodium based catalysts to produce a high quality bio-oil. The catalytic pyrolysis was carried out in two modes: in-situ catalytic pyrolysis and post

Cross section homogenization analysis for a simplified Candu reactor

International Nuclear Information System (INIS)

Pounders, Justin; Rahnema, Farzad; Mosher, Scott; Serghiuta, Dumitru; Turinsky, Paul; Sarsour, Hisham

2008-01-01

The effect of using zero current (infinite medium) boundary conditions to generate bundle homogenized cross sections for a stylized half-core Candu reactor problem is examined. Homogenized cross section from infinite medium lattice calculations are compared with cross sections homogenized using the exact flux from the reference core environment. The impact of these cross section differences is quantified by generating nodal diffusion theory solutions with both sets of cross sections. It is shown that the infinite medium spatial approximation is not negligible, and that ignoring the impact of the heterogeneous core environment on cross section homogenization leads to increased errors, particularly near control elements and the core periphery. (authors)

Hydrogen Production by Homogeneous Catalysis: Alcohol Acceptorless Dehydrogenation

DEFF Research Database (Denmark)

Nielsen, Martin

2015-01-01

in hydrogen production from biomass using homogeneous catalysis. Homogeneous catalysis has the advance of generally performing transformations at much milder conditions than traditional heterogeneous catalysis, and hence it constitutes a promising tool for future applications for a sustainable energy sector...

Dynamics of homogeneous nucleation

DEFF Research Database (Denmark)

Toxværd, Søren

2015-01-01

The classical nucleation theory for homogeneous nucleation is formulated as a theory for a density fluctuation in a supersaturated gas at a given temperature. But molecular dynamics simulations reveal that it is small cold clusters which initiates the nucleation. The temperature in the nucleating...

Catalytic copyrolysis of cork oak and bio-oil distillation residue

Science.gov (United States)

Lee, Yejin; Oh, Daejun; Kim, Young-Min; Jae, Jungho; Jung, Sang-Chul; Jeon, Jong-Ki; Kim, Sang Chai; Park, Young-Kwon

2018-01-01

The atmospheric distillation residue (ADR) of cork oak (CO) pyrolysis oil was used as the co-feeding material for the catalytic pyrolysis of CO over HZSM-5 catalysts to improve the formation of aromatic hydrocarbons. Although the non-catalytic copyrolysis of CO and ADR did not improve the formation of aromatic hydrocarbons, the catalytic copyrolysis of CO and ADR promoted the synergistic formation of aromatic hydrocarbons. HZSM-5(30), having a lower SiO2/Al2O3(30), showed better performance for the formation of aromatic hydrocarbons than HZSM-5(80) because of its higher acidity. The catalytic copyrolysis of CO and ADR also decreased the formation of coke. The largest quantity of aromatic hydrocarbons was obtained from the catalytic copyrolysis of CO and ADR over HZSM-5 (30) at 600 °C, whereas the lowest coke yield was achieved at 700 °C. When the catalyst to sample ratio was increased from 2:1 to 5:1, the synergistic formation of aromatic hydrocarbons was limited, resulting in a lower experimental yield of aromatic hydrocarbons than the theoretical yield. A lower coke yield was also achieved at a high catalyst to sample ratio (5:1).

A convenient procedure for magnetic field homogeneity evaluation

International Nuclear Information System (INIS)

Teles, J; Garrido, C E; Tannus, A

2004-01-01

In many areas of research that utilize magnetic fields in their studies, it is important to obtain fields with a spatial distribution as homogeneous as possible. A procedure usually utilized to evaluate and to optimize field homogeneity is the expansion of the measured field in spherical harmonic components. In addition to the methods proposed in the literature, we present a more convenient procedure for evaluation of field homogeneity inside a spherical volume. The procedure uses the orthogonality property of the spherical harmonics to find the field variance. It is shown that the total field variance is equal to the sum of the individual variances of each field component in the spherical harmonic expansion. Besides the advantages of the linear behaviour of the individual variances, there is the fact that the field variance and standard deviation are the best parameters to achieve global homogeneity field information

Thermal and catalytic pyrolysis of plastic waste

Directory of Open Access Journals (Sweden)

Débora Almeida

2016-02-01

Full Text Available Abstract The amount of plastic waste is growing every year and with that comes an environmental concern regarding this problem. Pyrolysis as a tertiary recycling process is presented as a solution. Pyrolysis can be thermal or catalytical and can be performed under different experimental conditions. These conditions affect the type and amount of product obtained. With the pyrolysis process, products can be obtained with high added value, such as fuel oils and feedstock for new products. Zeolites can be used as catalysts in catalytic pyrolysis and influence the final products obtained.

Using electron beams to investigate catalytic materials

International Nuclear Information System (INIS)

Zhang, Bingsen; Su, Dang Sheng

2014-01-01

Transmission Electron microscopy (TEM) enables us, not only to reveal the morphology, but also to provide structural, chemical and electronic information about solid catalysts at the atomic level, providing a dramatic driving force for the development of heterogeneous catalysis. Almost all catalytic materials have been studied with TEM in order to obtain information about their structures, which can help us to establish the synthesis-structure-property relationships and to design catalysts with new structures and desired properties. Herein, several examples will be reviewed to illustrate the investigation of catalytic materials by using electron beams. (authors)

A new concept of equivalent homogenization method

Energy Technology Data Exchange (ETDEWEB)

Kim, Young Jin; Pogoskekyan, Leonid; Kim, Young Il; Ju, Hyung Kook; Chang, Moon Hee [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

1996-07-01

A new concept of equivalent homogenization is proposed. The concept employs new set of homogenized parameters: homogenized cross sections (XS) and interface matrix (IM), which relates partial currents at the cell interfaces. The idea of interface matrix generalizes the idea of discontinuity factors (DFs), proposed and developed by K. Koebke and K. Smith. The offered concept covers both those of K. Koebke and K. Smith; both of them can be simulated within framework of new concept. Also, the offered concept covers Siemens KWU approach for baffle/reflector simulation, where the equivalent homogenized reflector XS are derived from the conservation of response matrix at the interface in 1D simi-infinite slab geometry. The IM and XS of new concept satisfy the same assumption about response matrix conservation in 1D semi-infinite slab geometry. It is expected that the new concept provides more accurate approximation of heterogeneous cell, especially in case of the steep flux gradients at the cell interfaces. The attractive shapes of new concept are: improved accuracy, simplicity of incorporation in the existing codes, equal numerical expenses in comparison to the K. Smith`s approach. The new concept is useful for: (a) explicit reflector/baffle simulation; (b) control blades simulation; (c) mixed UO{sub 2}/MOX core simulation. The offered model has been incorporated in the finite difference code and in the nodal code PANDOX. The numerical results show good accuracy of core calculations and insensitivity of homogenized parameters with respect to in-core conditions. 9 figs., 7 refs. (Author).

Homogenization of aligned “fuzzy fiber” composites

KAUST Repository

Chatzigeorgiou, George

2011-09-01

The aim of this work is to study composites in which carbon fibers coated with radially aligned carbon nanotubes are embedded in a matrix. The effective properties of these composites are identified using the asymptotic expansion homogenization method in two steps. Homogenization is performed in different coordinate systems, the cylindrical and the Cartesian, and a numerical example are presented. © 2011 Elsevier Ltd. All rights reserved.

Engineering reactors for catalytic reactions

Indian Academy of Sciences (India)

126, No. 2, March 2014, pp. 341–351. c Indian Academy of Sciences. ... enhancement was realized by catalyst design, appropriate choice of reactor, better injection and .... Gas–liquid and liquid–solid transport processes in catalytic reactors.5.

Structural changes in heat resisting high nickel alloys during homogenization

International Nuclear Information System (INIS)

Kleshchev, A.S.; Korneeva, N.N.; Yurina, O.M.; Guzej, L.S.

1981-01-01

Effect of homogenization on the structure and technological plasticity of the KhN73MBTYu and KhN62BMKTYu alloys during treatment with pressure is investigated taking into account peculiarities if the phase composition. It is shown that homogenization of the KhN73MBTYu and KhN62BMKTYu alloys increases the technological plasticity. Homogenization efficiency is conditioned by the change of the grain boundaries and carbide morphology as well as by homogeneous distribution of the large γ'-phase [ru

Materials for High-Temperature Catalytic Combustion

Energy Technology Data Exchange (ETDEWEB)

Ersson, Anders

2003-04-01

Catalytic combustion is an environmentally friendly technique to combust fuels in e.g. gas turbines. Introducing a catalyst into the combustion chamber of a gas turbine allows combustion outside the normal flammability limits. Hence, the adiabatic flame temperature may be lowered below the threshold temperature for thermal NO{sub X} formation while maintaining a stable combustion. However, several challenges are connected to the application of catalytic combustion in gas turbines. The first part of this thesis reviews the use of catalytic combustion in gas turbines. The influence of the fuel has been studied and compared over different catalyst materials. The material section is divided into two parts. The first concerns bimetallic palladium catalysts. These catalysts showed a more stable activity compared to their pure palladium counterparts for methane combustion. This was verified both by using an annular reactor at ambient pressure and a pilot-scale reactor at elevated pressures and flows closely resembling the ones found in a gas turbine combustor. The second part concerns high-temperature materials, which may be used either as active or washcoat materials. A novel group of materials for catalysis, i.e. garnets, has been synthesised and tested in combustion of methane, a low-heating value gas and diesel fuel. The garnets showed some interesting abilities especially for combustion of low-heating value, LHV, gas. Two other materials were also studied, i.e. spinels and hexa aluminates, both showed very promising thermal stability and the substituted hexa aluminates also showed a good catalytic activity. Finally, deactivation of the catalyst materials was studied. In this part the sulphur poisoning of palladium, platinum and the above-mentioned complex metal oxides has been studied for combustion of a LHV gas. Platinum and surprisingly the garnet were least deactivated. Palladium was severely affected for methane combustion while the other washcoat materials were

Homogeneous group, research, institution

Directory of Open Access Journals (Sweden)

Francesca Natascia Vasta

2014-09-01

Full Text Available The work outlines the complex connection among empiric research, therapeutic programs and host institution. It is considered the current research state in Italy. Italian research field is analyzed and critic data are outlined: lack of results regarding both the therapeutic processes and the effectiveness of eating disorders group analytic treatment. The work investigates on an eating disorders homogeneous group, led into an eating disorder outpatient service. First we present the methodological steps the research is based on including the strong connection among theory and clinical tools. Secondly clinical tools are described and the results commented. Finally, our results suggest the necessity of validating some more specifical hypothesis: verifying the relationship between clinical improvement (sense of exclusion and painful emotions reduction and specific group therapeutic processes; verifying the relationship between depressive feelings, relapses and transition trough a more differentiated groupal field.Keywords: Homogeneous group; Eating disorders; Institutional field; Therapeutic outcome

Is it possible to homogenize resonant chiral metamaterials ?

DEFF Research Database (Denmark)

Andryieuski, Andrei; Menzel, Christoph; Rockstuhl, Carsten

2010-01-01

Homogenization of metamaterials is very important as it makes possible description in terms of effective parameters. In this contribution we consider the homogenization of chiral metamaterials. We show that for some metamaterials there is an optimal meta-atom size which depends on the coupling...

Catalytic enantioselective Reformatsky reaction with ketones

NARCIS (Netherlands)

Fernandez-Ibanez, M. Angeles; Macia, Beatriz; Minnaard, Adriaan J.; Feringa, Ben L.

2008-01-01

Chiral tertiary alcohols were obtained with good yields and enantioselectivities via a catalytic Reformatsky reaction with ketones, including the challenging diaryl ketones, using chiral BINOL derivatives.

Catalytic dehydration of ethanol using transition metal oxide catalysts.

Science.gov (United States)

Zaki, T

2005-04-15

The aim of this work is to study catalytic ethanol dehydration using different prepared catalysts, which include Fe(2)O(3), Mn(2)O(3), and calcined physical mixtures of both ferric and manganese oxides with alumina and/or silica gel. The physicochemical properties of these catalysts were investigated via X-ray powder diffraction (XRD), acidity measurement, and nitrogen adsorption-desorption at -196 degrees C. The catalytic activities of such catalysts were tested through conversion of ethanol at 200-500 degrees C using a catalytic flow system operated under atmospheric pressure. The results obtained indicated that the dehydration reaction on the catalyst relies on surface acidity, whereas the ethylene production selectivity depends on the catalyst chemical constituents.

Catalytic Reactor for Inerting of Aircraft Fuel Tanks

Science.gov (United States)

1974-06-01

Aluminum Panels After Triphase Corrosion Test 79 35 Inerting System Flows in Various Flight Modes 82 36 High Flow Reactor Parametric Data 84 37 System...AD/A-000 939 CATALYTIC REACTOR FOR INERTING OF AIRCRAFT FUEL TANKS George H. McDonald, et al AiResearch Manufacturing Company Prepared for: Air Force...190th Street 2b. GROUP Torrance, California .. REPORT TITLE CATALYTIC REACTOR FOR INERTING OF AIRCRAFT FUEL TANKS . OESCRIP TIVE NOTEs (Thpe of refpoft

Aerobic, catalytic oxidation of alcohols in ionic liquids

Directory of Open Access Journals (Sweden)

Souza Roberto F. de

2006-01-01

Full Text Available An efficient and simple catalytic system based on RuCl3 dissolved in ionic liquids has been developed for the oxidation of alcohols into aldehydes and ketones under mild conditions. A new fluorinated ionic liquid, 1-n-butyl-3-methylimidazolium pentadecafluorooctanoate, was synthesized and demonstrated better performance that the other ionic liquids employed. Moreover this catalytic system utilizes molecular oxygen as an oxidizing agent, producing water as the only by-product.

Catalytic applications of bio-inspired nanomaterials

Science.gov (United States)

Pacardo, Dennis Kien Balaong

The biomimetic synthesis of Pd nanoparticles was presented using the Pd4 peptide, TSNAVHPTLRHL, isolated from combinatorial phage display library. Using this approach, nearly monodisperse and spherical Pd nanoparticles were generated with an average diameter of 1.9 +/- 0.4 nm. The peptide-based nanocatalyst were employed in the Stille coupling reaction under energy-efficient and environmentally friendly reaction conditions of aqueous solvent, room temperature and very low catalyst loading. To this end, the Pd nanocatalyst generated high turnover frequency (TOF) value and quantitative yields using ≥ 0.005 mol% Pd as well as catalytic activities with different aryl halides containing electron-withdrawing and electron-donating groups. The Pd4-capped Pd nanoparticles followed the atom-leaching mechanism and were found to be selective with respect to substrate identity. On the other hand, the naturally-occurring R5 peptide (SSKKSGSYSGSKGSKRRIL) was employed in the synthesis of biotemplated Pd nanomaterials which showed morphological changes as a function of Pd:peptide ratio. TOF analysis for hydrogenation of olefinic alcohols showed similar catalytic activity regardless of nanomorphology. Determination of catalytic properties of these bio-inspired nanomaterials are important as they serve as model system for alternative green catalyst with applications in industrially important transformations.

Vapor-Driven Propulsion of Catalytic Micromotors

Science.gov (United States)

Dong, Renfeng; Li, Jinxing; Rozen, Isaac; Ezhilan, Barath; Xu, Tailin; Christianson, Caleb; Gao, Wei; Saintillan, David; Ren, Biye; Wang, Joseph

2015-08-01

Chemically-powered micromotors offer exciting opportunities in diverse fields, including therapeutic delivery, environmental remediation, and nanoscale manufacturing. However, these nanovehicles require direct addition of high concentration of chemical fuel to the motor solution for their propulsion. We report the efficient vapor-powered propulsion of catalytic micromotors without direct addition of fuel to the micromotor solution. Diffusion of hydrazine vapor from the surrounding atmosphere into the sample solution is instead used to trigger rapid movement of iridium-gold Janus microsphere motors. Such operation creates a new type of remotely-triggered and powered catalytic micro/nanomotors that are responsive to their surrounding environment. This new propulsion mechanism is accompanied by unique phenomena, such as the distinct off-on response to the presence of fuel in the surrounding atmosphere, and spatio-temporal dependence of the motor speed borne out of the concentration gradient evolution within the motor solution. The relationship between the motor speed and the variables affecting the fuel concentration distribution is examined using a theoretical model for hydrazine transport, which is in turn used to explain the observed phenomena. The vapor-powered catalytic micro/nanomotors offer new opportunities in gas sensing, threat detection, and environmental monitoring, and open the door for a new class of environmentally-triggered micromotors.

Matrix-dependent multigrid-homogenization for diffusion problems

Energy Technology Data Exchange (ETDEWEB)

Knapek, S. [Institut fuer Informatik tu Muenchen (Germany)

1996-12-31

We present a method to approximately determine the effective diffusion coefficient on the coarse scale level of problems with strongly varying or discontinuous diffusion coefficients. It is based on techniques used also in multigrid, like Dendy`s matrix-dependent prolongations and the construction of coarse grid operators by means of the Galerkin approximation. In numerical experiments, we compare our multigrid-homogenization method with homogenization, renormalization and averaging approaches.

Microwave-irradiated preparation of reduced graphene oxide-Ni nanostructures and their enhanced performance for catalytic reduction of 4-nitrophenol

Science.gov (United States)

Qiu, Hanxun; Qiu, Feilong; Han, Xuebin; Li, Jing; Yang, Junhe

2017-06-01

Here we report an environmentally friendly, one-pot strategy toward preparation of nickel nanoparticle-decorated reduced graphene-oxide (Ni-RGO) nanostructures, by employing Ni(AC)2 as nickel source and ethylene glycol as both solvent and reducing agent via a facile microwave irradiation heating approach. The results show that Ni nanoparticles with an average diameter of around 40 nm are homogeneously anchored onto the surface of RGO sheets. As compared to the pure Ni nanoparticles and RGO sheets, Ni-RGO composites with over 64 wt% loading of Ni nanoparticles possess superior catalytic activities and selectivity toward the reduction of 4-nitrophenol. The corresponding kinetic reaction rate constant (defined as κ) is even four-fold compared to pure Ni nanoparticles. Such promising composites show great potential for friendly treatment of industrial waste containing nitrophenol in a simple, sustainable and green way.

Simulation on Toxic Gases in Vehicle Exhaust Equipped with Modified Catalytic Converter : A Review

Directory of Open Access Journals (Sweden)

Leman A.M.

2016-01-01

Full Text Available Air pollution and global warming is a major issue nowadays. One of the main contributors to be the emission of harmful gases produced by vehicle exhausts lines. The harmful gases like NOx, CO, unburned HC and particulate matter increases the global warming, so catalytic converter plays a vital role in reducing harmful gases. Catalytic converters are used on most vehicles on the road today. This research deals with the gas emission flow in the catalytic converter involving the heat transfer, velocity flow, back pressure and others chemical reaction in the modified catalytic converter by using FeCrAl as a substrate that is treated using the ultrasonic bath and electroplating techniques. The objective of this study is to obtain a quantitative description of the gas emission in the catalytic converter system of automobile exhaust gas using ANSYS Software. The description of the gas emission in the catalytic converter system of automobile exhaust gas using ANSYS Software was simulated in this research in order to provide better efficiency and ease the reusability of the catalytic converter by comparing experimental data with software analysing data. The result will be expected to demonstrate a good approximation of gas emission in the modified catalytic converter simulation data compared to experimental data in order to verify the effectiveness of modified catalytic converter. Therefore studies on simulation of flow through the modified catalytic converter are very important to increase the accuracy of the obtained emission result.

Ionic Liquids: The Synergistic Catalytic Effect in the Synthesis of Cyclic Carbonates

Directory of Open Access Journals (Sweden)

Flora T.T. Ng

2013-10-01

Full Text Available This review presents the synergistic effect in the catalytic system of ionic liquids (ILs for the synthesis of cyclic carbonate from carbon dioxide and epoxide. The emphasis of this review is on three aspects: the catalytic system of metal-based ionic liquids, the catalytic system of hydrogen bond-promoted ionic liquids and supported ionic liquids. Metal and ionic liquids show a synergistic effect on the cycloaddition reactions of epoxides. The cations and anions of ionic liquids show a synergistic effect on the cycloaddition reactions. The functional groups in cations or supports combined with the anions have a synergistic effect on the cycloaddition reactions. Synergistic catalytic effects of ILs play an important role of promoting the cycloaddition reactions of epoxides. The design of catalytic system of ionic liquids will be possible if the synergistic effect on a molecular level is understood.

Oscillatory behaviour of catalytic properties, structure and temperature during the catalytic partial oxidation of methane on Pd/Al2O3

DEFF Research Database (Denmark)

Kimmerle, B.; Baiker, A.; Grunwaldt, Jan-Dierk

2010-01-01

Pd/Al2O3 catalysts showed an oscillatory behaviour during the catalytic partial oxidation (CPO) of methane, which was investigated simultaneously by IR-thermography, X-ray absorption spectroscopy, and online mass-spectrometry to correlate the temperature, state of the catalyst and catalytic...... to self-reduction leading to extinction of the process. The latter was the key driver for the oscillations and thus gave additional insight into the mechanism of partial methane oxidation....

Nonlinear vibration of a traveling belt with non-homogeneous boundaries

Science.gov (United States)

Ding, Hu; Lim, C. W.; Chen, Li-Qun

2018-06-01

Free and forced nonlinear vibrations of a traveling belt with non-homogeneous boundary conditions are studied. The axially moving materials in operation are always externally excited and produce strong vibrations. The moving materials with the homogeneous boundary condition are usually considered. In this paper, the non-homogeneous boundaries are introduced by the support wheels. Equilibrium deformation of the belt is produced by the non-homogeneous boundaries. In order to solve the equilibrium deformation, the differential and integral quadrature methods (DIQMs) are utilized to develop an iterative scheme. The influence of the equilibrium deformation on free and forced nonlinear vibrations of the belt is explored. The DIQMs are applied to solve the natural frequencies and forced resonance responses of transverse vibration around the equilibrium deformation. The Galerkin truncation method (GTM) is utilized to confirm the DIQMs' results. The numerical results demonstrate that the non-homogeneous boundary conditions cause the transverse vibration to deviate from the straight equilibrium, increase the natural frequencies, and lead to coexistence of square nonlinear terms and cubic nonlinear terms. Moreover, the influence of non-homogeneous boundaries can be exacerbated by the axial speed. Therefore, non-homogeneous boundary conditions of axially moving materials especially should be taken into account.

A catalytic wet oxidation process for mixed waste volume reduction/recycling

International Nuclear Information System (INIS)

Dhooge, Patrick M.

1992-01-01

Mixed wastes have presented a challenge to treatment and destruction technologies. A recently developed catalytic wet oxidation method has promising characteristics for volume reduction and recycling of mixed wastes. The process utilizes iron (III) as an oxidant in the presence of homogeneous cocatalysts which increase organics' oxidation rates and the rate of oxidation of iron (II) by oxygen. The reaction is conducted in an aqueous mineral acid solution at temperatures of 373 - 573 deg K. The mineral acid should solvate a number of heavy metals, including U and Pu. Studies of reaction rates show that the process can oxidize a wide range of organic compounds including aromatics and chlorinated hydrocarbons. Rate constants in the range of 10 -7 to 10 -4 sec -1 , depending on the cocatalyst, acidity, type of anions, type of organic, temperature, and time. Activation energies ranged from 25. to 32. KJ/mole. Preliminary measurements of the extent of oxidation which could be obtained ranged from 80% for trichloroethylene to 99.8% for 1,2,4-trimethylbenzene; evidence was obtained that absorption by the fluorocarbon liners of the reaction bombs allowed some of the organics to escape exposure to the catalyst solution. The results indicate that complete oxidation of the organics used here, and presumably many others, can be achieved. (author)

Methods of using structures including catalytic materials disposed within porous zeolite materials to synthesize hydrocarbons

Science.gov (United States)

Rollins, Harry W [Idaho Falls, ID; Petkovic, Lucia M [Idaho Falls, ID; Ginosar, Daniel M [Idaho Falls, ID

2011-02-01

Catalytic structures include a catalytic material disposed within a zeolite material. The catalytic material may be capable of catalyzing a formation of methanol from carbon monoxide and/or carbon dioxide, and the zeolite material may be capable of catalyzing a formation of hydrocarbon molecules from methanol. The catalytic material may include copper and zinc oxide. The zeolite material may include a first plurality of pores substantially defined by a crystal structure of the zeolite material and a second plurality of pores dispersed throughout the zeolite material. Systems for synthesizing hydrocarbon molecules also include catalytic structures. Methods for synthesizing hydrocarbon molecules include contacting hydrogen and at least one of carbon monoxide and carbon dioxide with such catalytic structures. Catalytic structures are fabricated by forming a zeolite material at least partially around a template structure, removing the template structure, and introducing a catalytic material into the zeolite material.

Surface composition of carburized tungsten trioxide and its catalytic activity

International Nuclear Information System (INIS)

Nakazawa, M.; Okamoto, H.

1985-01-01

The surface composition and electronic structure of carburized tungsten trioxide are investigated using x-ray photoelectron spectroscopy (XPS). The relationship between the surface composition and the catalytic activity for methanol electro-oxidation is clarified. The tungsten carbide concentration in the surface layer increases with the carburization time. The formation of tungsten carbide enhances the catalytic activity. On the other hand, the presence of free carbon or tungsten trioxide in the surface layer reduces the activity remarkably. It is also shown that, the higher the electronic density of states near the Fermi level, the higher the catalytic activity

Homogenization of Stokes and Navier-Stokes equations

International Nuclear Information System (INIS)

Allaire, G.

1990-04-01

This thesis is devoted to homogenization of Stokes and Navier-Stokes equations with a Dirichlet boundary condition in a domain containing many tiny obstacles. Tipycally those obstacles are distributed at the modes of a periodic lattice with same small period in each axe's direction, and their size is always asymptotically smaller than the lattice's step. With the help of the energy method, and thanks to a suitable pressure's extension, we prove the convergence of the homogenization process when the lattice's step tends to zero (and thus the number of obstacles tends to infinity). For a so-called critical size of the obstacles, the homogenized problem turns out to be a Brinkman's law (i.e. Stokes or Navier-Stokes equation plus a linear zero-order term for the velocity in the momentum equation). For obstacles which have a size smaller than the critical one, the limit problem reduces to the initial Stokes or Navier-Stokes equations, while for larger sizes the homogenized problem a Darcy's law. Furthermore, those results have been extended to the case of obstacles included in a hyperplane, and we establish a simple model of fluid flows through grids, which is based on a special form of Brinkman's law [fr

Homogeneous photocatalytic reactions with organometallic and coordination compounds--perspectives for sustainable chemistry.

Science.gov (United States)

Hoffmann, Norbert

2012-02-13

Since the time of Giacomo Ciamician at the beginning of the 20th century, photochemical transformations have been recognized as contributing to sustainable chemistry. Electronic excitation significantly changes the reactivity of chemical compounds. Thus, the application of activation reagents is frequently avoided and transformations can be performed under mild conditions. Catalysis plays a central role in sustainable chemistry. Stoichiometric amounts of activation reagents are often avoided. This fact and the milder catalytic reaction conditions diminish the formation of byproducts. In the case of homogeneous catalysis, organometallic compounds are often applied. The combination of both techniques develops synergistic effects in the sense of "Green Chemistry". Herein, metal carbonyl-mediated reactions are reported. These transformations are of considerable interest for the synthesis of complex polyfunctionalized compounds. Copper(I)-catalyzed [2+2] photocycloaddition gives access to a large variety of cyclobutane derivatives. Currently, a large number of publications deal with photochemical electron-transfer-induced reactions with organometallic and coordination compounds, particularly with ruthenium complexes. Several photochemically induced oxidations can easily be performed with air or molecular oxygen when they are catalyzed with organometallic complexes. Photochemical reaction conditions also play a certain role in C-H activation with organometallic catalysts, for instance, with alkanes, although such transformations are conveniently performed with a variety of other photochemical reactions. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Poisoning of bubble propelled catalytic micromotors: the chemical environment matters.

Science.gov (United States)

Zhao, Guanjia; Sanchez, Samuel; Schmidt, Oliver G; Pumera, Martin

2013-04-07

Self-propelled catalytic microjets have attracted considerable attention in recent years and these devices have exhibited the ability to move in complex media. The mechanism of propulsion is via the Pt catalysed decomposition of H2O2 and it is understood that the Pt surface is highly susceptible to poisoning by sulphur-containing molecules. Here, we show that important extracellular thiols as well as basic organic molecules can significantly hamper the motion of catalytic microjet engines. This is due to two different mechanisms: (i) molecules such as dimethyl sulfoxide can quench the hydroxyl radicals produced at Pt surfaces and reduce the amount of oxygen gas generated and (ii) molecules containing -SH, -SSR, and -SCH3 moieties can poison the catalytically active platinum surface, inhibiting the motion of the jet engines. It is essential that the presence of such molecules in the environment be taken into consideration for future design and operation of catalytic microjet engines. We show this effect on catalytic micromotors prepared by both rolled-up and electrodeposition approaches, demonstrating that such poisoning is universal for Pt catalyzed micromotors. We believe that our findings will contribute significantly to this field to develop alternative systems or catalysts for self-propulsion when practical applications in the real environment are considered.

Speciation of mercury in fish samples by flow injection catalytic cold vapour atomic absorption spectrometry

Energy Technology Data Exchange (ETDEWEB)

Zhang Yanlin [NanoScience and Sensor Technology Research Group, School of Applied Sciences and Engineering, Monash University, Churchill, Victoria 3842 (Australia); Adeloju, Samuel B., E-mail: Sam.Adeloju@monash.edu [NanoScience and Sensor Technology Research Group, School of Applied Sciences and Engineering, Monash University, Churchill, Victoria 3842 (Australia)

2012-04-06

Highlights: Black-Right-Pointing-Pointer Successful speciation of inorganic and organic Hg with Fe{sup 3+}, Cu{sup 2+} and thiourea as catalysts. Black-Right-Pointing-Pointer Best sensitivity enhancement and similar sensitivity for MeHg and Hg{sup 2+} with Fe{sup 3+}. Black-Right-Pointing-Pointer Successful use of Hg{sup 2+} as the primary standard for quantification of inorganic and total-Hg. Black-Right-Pointing-Pointer Quantitative extraction of Hg and MeHg with 2 M HCl which contained thiourea. Black-Right-Pointing-Pointer Integration with FIA for rapid analysis with a sample throughput of 180 h{sup -1}. - Abstract: A rapid flow injection catalytic cold vapour atomic absorption spectrometric (FI-CCV-AAS) method is described for speciation and determination of mercury in biological samples. Varying concentrations of NaBH{sub 4} were employed for mercury vapour generation from inorganic and mixture of inorganic and organic (total) Hg. The presence of Fe{sup 3+}, Cu{sup 2+} and thiourea had catalytic effect on mercury vapour generation from methylmercury (MeHg) and, when together, Cu{sup 2+} and thiourea had synergistic catalytic effect on the vapour generation. Of the two metal ions, Fe{sup 3+} gave the best sensitivity enhancement, achieving the same sensitivity for MeHg and inorganic Hg{sup 2+}. Due to similarity of resulting sensitivity, Hg{sup 2+} was used successfully as a primary standard for quantification of inorganic and total Hg. The catalysis was homogeneous in nature, and it was assumed that the breaking of the C-Hg bond was facilitated by the delocalization of the 5d electron pairs in Hg atom. The extraction of MeHg and inorganic mercury (In-Hg) in fish samples were achieved quantitatively with hydrochloric acid in the presence of thiourea and determined by FI-CCV-AAS. The application of the method to the quantification of mercury species in a fish liver reference material DOLT-4 gave 91.5% and 102.3% recoveries for total and methyl mercury

Catalytic Fast Pyrolysis: A Review

Directory of Open Access Journals (Sweden)

Theodore Dickerson

2013-01-01

Full Text Available Catalytic pyrolysis is a promising thermochemical conversion route for lignocellulosic biomass that produces chemicals and fuels compatible with current, petrochemical infrastructure. Catalytic modifications to pyrolysis bio-oils are geared towards the elimination and substitution of oxygen and oxygen-containing functionalities in addition to increasing the hydrogen to carbon ratio of the final products. Recent progress has focused on both hydrodeoxygenation and hydrogenation of bio-oil using a variety of metal catalysts and the production of aromatics from bio-oil using cracking zeolites. Research is currently focused on developing multi-functional catalysts used in situ that benefit from the advantages of both hydrodeoxygenation and zeolite cracking. Development of robust, highly selective catalysts will help achieve the goal of producing drop-in fuels and petrochemical commodities from wood and other lignocellulosic biomass streams. The current paper will examine these developments by means of a review of existing literature.

Chemically-modified cellulose paper as a microstructured catalytic reactor.

Science.gov (United States)

Koga, Hirotaka; Kitaoka, Takuya; Isogai, Akira

2015-01-15

We discuss the successful use of chemically-modified cellulose paper as a microstructured catalytic reactor for the production of useful chemicals. The chemical modification of cellulose paper was achieved using a silane-coupling technique. Amine-modified paper was directly used as a base catalyst for the Knoevenagel condensation reaction. Methacrylate-modified paper was used for the immobilization of lipase and then in nonaqueous transesterification processes. These catalytic paper materials offer high reaction efficiencies and have excellent practical properties. We suggest that the paper-specific interconnected microstructure with pulp fiber networks provides fast mixing of the reactants and efficient transport of the reactants to the catalytically-active sites. This concept is expected to be a promising route to green and sustainable chemistry.

Chemically-Modified Cellulose Paper as a Microstructured Catalytic Reactor

Directory of Open Access Journals (Sweden)

Hirotaka Koga

2015-01-01

Full Text Available We discuss the successful use of chemically-modified cellulose paper as a microstructured catalytic reactor for the production of useful chemicals. The chemical modification of cellulose paper was achieved using a silane-coupling technique. Amine-modified paper was directly used as a base catalyst for the Knoevenagel condensation reaction. Methacrylate-modified paper was used for the immobilization of lipase and then in nonaqueous transesterification processes. These catalytic paper materials offer high reaction efficiencies and have excellent practical properties. We suggest that the paper-specific interconnected microstructure with pulp fiber networks provides fast mixing of the reactants and efficient transport of the reactants to the catalytically-active sites. This concept is expected to be a promising route to green and sustainable chemistry.

Homogenized thermal conduction model for particulate foods

OpenAIRE

Chinesta , Francisco; Torres , Rafael; Ramón , Antonio; Rodrigo , Mari Carmen; Rodrigo , Miguel

2002-01-01

International audience; This paper deals with the definition of an equivalent thermal conductivity for particulate foods. An homogenized thermal model is used to asses the effect of particulate spatial distribution and differences in thermal conductivities. We prove that the spatial average of the conductivity can be used in an homogenized heat transfer model if the conductivity differences among the food components are not very large, usually the highest conductivity ratio between the foods ...

Oxyfuel combustion using a catalytic ceramic membrane reactor

Energy Technology Data Exchange (ETDEWEB)

Tan, Xiaoyao; Li, K. [Department of Chemical Engineering, Imperial College London, University of London, South Kensington, London SW7 2AZ (United Kingdom); Thursfield, A.; Metcalfe, I.S. [School of Chemical Engineering and Advanced Materials, Newcastle University, Newcastle upon Tyne, NE1 7RU (United Kingdom)

2008-02-29

Membrane catalytic combustion (MCC) is an environmentally friendly technique for heat and power generation from methane. This work demonstrates the performances of a MCC perovskite hollow fibre membrane reactor for the catalytic combustion of methane. The ionic-electronic La{sub 0.6}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3-{alpha}} (LSCF6428) mixed conductor, in the form of an oxygen-permeable hollow fibre membrane, has been prepared successfully by means of a phase-inversion spinning/sintering technique. For this process polyethersulfone (PESf) was used as a binder, N-methyl-2-pyrrollidone (NMP) as solvent and polyvinylpyrrolidone (PVP, K16-18) as an additive. With the prepared LSCF6428 hollow fibre membranes packed with catalyst, hollow fibre membrane reactors (HFMRs) have been assembled to perform the catalytic combustion of methane. A simple mathematical model that combines the local oxygen permeation rate with approximate catalytic reaction kinetics has been developed and can be used to predict the performance of the HFMRs for methane combustion. The effects of operating temperature and methane and air feed flow rates on the performance of the HFMR have been investigated both experimentally and theoretically. Both the methane conversion and oxygen permeation rate can be improved by means of coating platinum on the air side of the hollow fibre membranes. (author)

Soy Protein Isolate-Phosphatidylcholine Nanoemulsions Prepared Using High-Pressure Homogenization.

Science.gov (United States)

Li, Yang; Wu, Chang-Ling; Liu, Jun; Zhu, Ying; Zhang, Xiao-Yuan; Jiang, Lian-Zhou; Qi, Bao-Kun; Zhang, Xiao-Nan; Wang, Zhong-Jiang; Teng, Fei

2018-05-07

The nanoemulsions of soy protein isolate-phosphatidylcholine (SPI-PC) with different emulsion conditions were studied. Homogenization pressure and homogenization cycle times were varied, along with SPI and PC concentration. Evaluations included turbidity, particle size, ζ-potential, particle distribution index, and turbiscan stability index (TSI). The nanoemulsions had the best stability when SPI was at 1.5%, PC was at 0.22%, the homogenization pressure was 100 MPa and homogenization was performed 4 times. The average particle size of the SPI-PC nanoemulsions was 217 nm, the TSI was 3.02 and the emulsification yield was 93.4% of nanoemulsions.

Catalytic destruction of tar in biomass derived producer gas

International Nuclear Information System (INIS)

Zhang Ruiqin; Brown, Robert C.; Suby, Andrew; Cummer, Keith

2004-01-01

The purpose of this study is to investigate catalytic destruction of tar formed during gasification of biomass, with the goal of improving the quality of the producer gas. This work focuses on nickel based catalysts treated with alkali in an effort to promote steam gasification of the coke that deposits on catalyst surfaces. A tar conversion system consisting of a guard bed and catalytic reactor was designed to treat the producer gas from an air blown, fluidized bed biomass gasifier. The guard bed used dolomite to crack the heavy tars. The catalytic reactor was used to evaluate three commercial steam reforming catalysts. These were the ICI46-1 catalyst from Imperial Chemical Industry and Z409 and RZ409 catalysts from Qilu Petrochemical Corp. in China. A 0.5-3 l/min slipstream from a 5 tpd biomass gasifier was used to test the tar conversion system. Gas and tar were sampled before and after the tar conversion system to evaluate the effectiveness of the system. Changes in gas composition as functions of catalytic bed temperature, space velocity and steam/TOC (total organic carbon) ratio are presented. Structural changes in the catalysts during the tests are also described

Catalytic Activity Control via Crossover between Two Different Microstructures

KAUST Repository

Zhou, Yuheng

2017-09-08

Metal nanocatalysts hold great promise for a wide range of heterogeneous catalytic reactions, while the optimization strategy of catalytic activity is largely restricted by particle size or shape control. Here, we demonstrate that a reversible microstructural control through the crossover between multiply-twinned nanoparticle (MTP) and single crystal (SC) can be readily achieved by solvent post-treatment on gold nanoparticles (AuNPs). Polar solvents (e.g. water, methanol) direct the transformation from MTP to SC accompanied by the disappearance of twinning and stacking faults. A reverse transformation from SC to MTP is achieved in non-polar solvent (e.g. toluene) mixed with thiol ligands. The transformation between two different microstructures is directly observed by in-situ TEM and leads to a drastic modulation of catalytic activity towards the gas-phase selective oxidation of alcohols. There is a quasi-linear relationship between TOFs and MTP concentrations. Based on the combined experimental and theoretical investigations of alcohol chemisorption on these nanocatalysts, we propose that the exposure of {211}-like microfacets associated with twin boundaries and stack faults accounts for the strong chemisorption of alcohol molecules on MTP AuNPs and thus the exceptionally high catalytic activity.

Pattern and process of biotic homogenization in the New Pangaea.

Science.gov (United States)

Baiser, Benjamin; Olden, Julian D; Record, Sydne; Lockwood, Julie L; McKinney, Michael L

2012-12-07

Human activities have reorganized the earth's biota resulting in spatially disparate locales becoming more or less similar in species composition over time through the processes of biotic homogenization and biotic differentiation, respectively. Despite mounting evidence suggesting that this process may be widespread in both aquatic and terrestrial systems, past studies have predominantly focused on single taxonomic groups at a single spatial scale. Furthermore, change in pairwise similarity is itself dependent on two distinct processes, spatial turnover in species composition and changes in gradients of species richness. Most past research has failed to disentangle the effect of these two mechanisms on homogenization patterns. Here, we use recent statistical advances and collate a global database of homogenization studies (20 studies, 50 datasets) to provide the first global investigation of the homogenization process across major faunal and floral groups and elucidate the relative role of changes in species richness and turnover. We found evidence of homogenization (change in similarity ranging from -0.02 to 0.09) across nearly all taxonomic groups, spatial extent and grain sizes. Partitioning of change in pairwise similarity shows that overall change in community similarity is driven by changes in species richness. Our results show that biotic homogenization is truly a global phenomenon and put into question many of the ecological mechanisms invoked in previous studies to explain patterns of homogenization.

Higher-order asymptotic homogenization of periodic materials with low scale separation

NARCIS (Netherlands)

Ameen, M.M.; Peerlings, R.H.J.; Geers, M.G.D

2016-01-01

In this work, we investigate the limits of classical homogenization theories pertaining to homogenization of periodic linear elastic composite materials at low scale separations and demonstrate the effectiveness of higher-order periodic homogenization in alleviating this limitation. Classical

Sewage sludge disintegration by combined treatment of alkaline+high pressure homogenization.

Science.gov (United States)

Zhang, Yuxuan; Zhang, Panyue; Zhang, Guangming; Ma, Weifang; Wu, Hao; Ma, Boqiang

2012-11-01

Alkaline pretreatment combined with high pressure homogenization (HPH) was applied to promote sewage sludge disintegration. For sewage sludge with a total solid content of 1.82%, sludge disintegration degree (DD(COD)) with combined treatment was higher than the sum of DD(COD) with single alkaline and single HPH treatment. NaOH dosage ⩽0.04mol/L, homogenization pressure ⩽60MPa and a single homogenization cycle were the suitable conditions for combined sludge treatment. The combined sludge treatment showed a maximum DD(COD) of 59.26%. By regression analysis, the combined sludge disintegration model was established as 11-DD(COD)=0.713C(0.334)P(0.234)N(0.119), showing that the effect of operating parameters on sludge disintegration followed the order: NaOH dosage>homogenization pressure>number of homogenization cycle. The energy efficiency with combined sludge treatment significantly increased compared with that with single HPH treatment, and the high energy efficiency was achieved at low homogenization pressure with a single homogenization cycle. Copyright © 2012 Elsevier Ltd. All rights reserved.

PINGU: PredIction of eNzyme catalytic residues usinG seqUence information.

Directory of Open Access Journals (Sweden)

Priyadarshini P Pai

Full Text Available Identification of catalytic residues can help unveil interesting attributes of enzyme function for various therapeutic and industrial applications. Based on their biochemical roles, the number of catalytic residues and sequence lengths of enzymes vary. This article describes a prediction approach (PINGU for such a scenario. It uses models trained using physicochemical properties and evolutionary information of 650 non-redundant enzymes (2136 catalytic residues in a support vector machines architecture. Independent testing on 200 non-redundant enzymes (683 catalytic residues in predefined prediction settings, i.e., with non-catalytic per catalytic residue ranging from 1 to 30, suggested that the prediction approach was highly sensitive and specific, i.e., 80% or above, over the incremental challenges. To learn more about the discriminatory power of PINGU in real scenarios, where the prediction challenge is variable and susceptible to high false positives, the best model from independent testing was used on 60 diverse enzymes. Results suggested that PINGU was able to identify most catalytic residues and non-catalytic residues properly with 80% or above accuracy, sensitivity and specificity. The effect of false positives on precision was addressed in this study by application of predicted ligand-binding residue information as a post-processing filter. An overall improvement of 20% in F-measure and 0.138 in Correlation Coefficient with 16% enhanced precision could be achieved. On account of its encouraging performance, PINGU is hoped to have eventual applications in boosting enzyme engineering and novel drug discovery.

Catalytic Hydrothermal Liquefaction of Food Waste Using CeZrOx

Directory of Open Access Journals (Sweden)

Alex R. Maag

2018-03-01

Full Text Available Approximately 15 million dry tons of food waste is produced annually in the United States (USA, and 92% of this waste is disposed of in landfills where it decomposes to produce greenhouse gases and water pollution. Hydrothermal liquefaction (HTL is an attractive technology capable of converting a broad range of organic compounds, especially those with substantial water content, into energy products. The HTL process produces a bio-oil precursor that can be further upgraded to transportation fuels and an aqueous phase containing water-soluble organic impurities. Converting small oxygenated compounds that partition into the water phase into larger, hydrophobic compounds can reduce aqueous phase remediation costs and improve energy yields. HTL was investigated at 300 °C and a reaction time of 1 h for conversion of an institutional food waste to bio-oil, using either homogeneous Na2CO3 or heterogeneous CeZrOx to promote in situ conversion of water-soluble organic compounds into less oxygenated, oil-soluble products. Results with food waste indicate that CeZrOx improves both bio-oil higher heating value (HHV and energy recovery when compared both to non-catalytic and Na2CO3-catalyzed HTL. The aqueous phase obtained using CeZrOx as an HTL catalyst contained approximately half the total organic carbon compared to that obtained using Na2CO3—suggesting reduced water treatment costs using the heterogeneous catalyst. Experiments with model compounds indicated that the primary mechanism of action was condensation of aldehydes, a reaction which simultaneously increases molecular weight and oxygen-to-carbon ratio—consistent with the improvements in bio-oil yield and HHV observed with institutional food waste. The catalyst was stable under hydrothermal conditions (≥16 h at 300 °C and could be reused at least three times for conversion of model aldehydes to water insoluble products. Energy and economic analysis suggested favorable performance for the

Antibody proteases: induction of catalytic response.

Science.gov (United States)

Gabibov, A G; Friboulet, A; Thomas, D; Demin, A V; Ponomarenko, N A; Vorobiev, I I; Pillet, D; Paon, M; Alexandrova, E S; Telegin, G B; Reshetnyak, A V; Grigorieva, O V; Gnuchev, N V; Malishkin, K A; Genkin, D D

2002-10-01

Most of the data accumulated throughout the years on investigation of catalytic antibodies indicate that their production increases on the background of autoimmune abnormalities. The different approaches to induction of catalytic response toward recombinant gp120 HIV-1 surface protein in mice with various autoimmune pathologies are described. The peptidylphosphonate conjugate containing structural part of gp120 molecule is used for reactive immunization of NZB/NZW F1, MRL, and SJL mice. The specific modification of heavy and light chains of mouse autoantibodies with Val-Ala-Glu-Glu-Glu-Val-PO(OPh)2 reactive peptide was demonstrated. Increased proteolytic activity of polyclonal antibodies in SJL mice encouraged us to investigate the production of antigen-specific catalytic antibodies on the background of induced experimental autoimmune encephalomyelitis (EAE). The immunization of autoimmune-prone mice with the engineered fusions containing the fragments of gp120 and encephalitogenic epitope of myelin basic protein (MBP(89-104)) was made. The proteolytic activity of polyclonal antibodies isolated from the sera of autoimmune mice immunized by the described antigen was shown. Specific immune response of SJL mice to these antigens was characterized. Polyclonal antibodies purified from sera of the immunized animals revealed proteolytic activity. The antiidiotypic approach to raise the specific proteolytic antibody as an "internal image" of protease is described. The "second order" monoclonal antibodies toward subtilisin Carlsberg revealed pronounced proteolytic activity.

Central Andean temperature and precipitation measurements and its homogenization

Science.gov (United States)

Hunziker, Stefan; Gubler, Stefanie

2015-04-01

Observation of climatological parameters and the homogenization of these time series have a well-established history in western countries. This is not the case for many other countries, such as Bolivia and Peru. In Bolivia and Peru, the organization of measurements, quality of measurement equipment, equipment maintenance, training of staff and data management are fundamentally different compared to the western standard. The data needs special attention, because many problems are not detected by standard quality control procedures. Information about the weather stations, best achieved by station visits, is very beneficial. If the cause of the problem is known, some of the data may be corrected. In this study, cases of typical problems and measurement errors will be demonstrated. Much of research on homogenization techniques (up to subdaily scale) has been completed in recent years. However, data sets of the quality of western station networks have been used, and little is known about the performance of homogenization methods on data sets from countries such as Bolivia and Peru. HOMER (HOMogenizaton softwarE in R) is one of the most recent and widely used homogenization softwares. Its performance is tested on Peruvian-like data that has been sourced from Swiss stations (similar station density and metadata availability). The Swiss station network is a suitable test bed, because climate gradients are strong and the terrain is complex, as is also found in the Central Andes. On the other hand, the Swiss station network is dense, and long time series and extensive metadata are available. By subsampling the station network and omitting the metadata, the conditions of a Peruvian test region are mimicked. Results are compared to a dataset homogenized by THOMAS (Tool for Homogenization of Monthly Data Series), the homogenization tool used by MeteoSwiss.

Land-use intensification causes multitrophic homogenization of grassland communities.

Science.gov (United States)

Gossner, Martin M; Lewinsohn, Thomas M; Kahl, Tiemo; Grassein, Fabrice; Boch, Steffen; Prati, Daniel; Birkhofer, Klaus; Renner, Swen C; Sikorski, Johannes; Wubet, Tesfaye; Arndt, Hartmut; Baumgartner, Vanessa; Blaser, Stefan; Blüthgen, Nico; Börschig, Carmen; Buscot, Francois; Diekötter, Tim; Jorge, Leonardo Ré; Jung, Kirsten; Keyel, Alexander C; Klein, Alexandra-Maria; Klemmer, Sandra; Krauss, Jochen; Lange, Markus; Müller, Jörg; Overmann, Jörg; Pašalić, Esther; Penone, Caterina; Perović, David J; Purschke, Oliver; Schall, Peter; Socher, Stephanie A; Sonnemann, Ilja; Tschapka, Marco; Tscharntke, Teja; Türke, Manfred; Venter, Paul Christiaan; Weiner, Christiane N; Werner, Michael; Wolters, Volkmar; Wurst, Susanne; Westphal, Catrin; Fischer, Markus; Weisser, Wolfgang W; Allan, Eric

2016-12-08

Land-use intensification is a major driver of biodiversity loss. Alongside reductions in local species diversity, biotic homogenization at larger spatial scales is of great concern for conservation. Biotic homogenization means a decrease in β-diversity (the compositional dissimilarity between sites). Most studies have investigated losses in local (α)-diversity and neglected biodiversity loss at larger spatial scales. Studies addressing β-diversity have focused on single or a few organism groups (for example, ref. 4), and it is thus unknown whether land-use intensification homogenizes communities at different trophic levels, above- and belowground. Here we show that even moderate increases in local land-use intensity (LUI) cause biotic homogenization across microbial, plant and animal groups, both above- and belowground, and that this is largely independent of changes in α-diversity. We analysed a unique grassland biodiversity dataset, with abundances of more than 4,000 species belonging to 12 trophic groups. LUI, and, in particular, high mowing intensity, had consistent effects on β-diversity across groups, causing a homogenization of soil microbial, fungal pathogen, plant and arthropod communities. These effects were nonlinear and the strongest declines in β-diversity occurred in the transition from extensively managed to intermediate intensity grassland. LUI tended to reduce local α-diversity in aboveground groups, whereas the α-diversity increased in belowground groups. Correlations between the β-diversity of different groups, particularly between plants and their consumers, became weaker at high LUI. This suggests a loss of specialist species and is further evidence for biotic homogenization. The consistently negative effects of LUI on landscape-scale biodiversity underscore the high value of extensively managed grasslands for conserving multitrophic biodiversity and ecosystem service provision. Indeed, biotic homogenization rather than local diversity

Effect of Catalytic Layer Thickness on Diameter of Vertically Aligned Individual Carbon Nanotubes

Directory of Open Access Journals (Sweden)

Hyun Kyung Jung

2014-01-01

Full Text Available The effect of catalytic thin film thickness on the diameter control of individual carbon nanotubes grown by plasma enhanced chemical vapor deposition was investigated. Individual carbon nanotubes were grown on catalytic nanodot arrays, which were fabricated by e-beam lithography and e-beam evaporation. During e-beam evaporation of the nanodot pattern, more catalytic metal was deposited at the edge of the nanodots than the desired catalyst thickness. Because of this phenomenon, carbon atoms diffused faster near the center of the dots than at the edge of the dots. The carbon atoms, which were gathered at the interface between the catalytic nanodot and the diffusion barrier, accumulated near the center of the dot and lifted the catalyst off. From the experiments, an individual carbon nanotube with the same diameter as that of the catalytic nanodot was obtained from a 5 nm thick catalytic nanodot; however, an individual carbon nanotube with a smaller diameter (~40% reduction was obtained from a 50 nm thick nanodot. We found that the thicker the catalytic layer, the greater the reduction in diameter of the carbon nanotubes. The diameter-controlled carbon nanotubes could have applications in bio- and nanomaterial scanning and as a contrast medium for magnetic resonance imaging.

Applications of a systematic homogenization theory for nodal diffusion methods

International Nuclear Information System (INIS)

Zhang, Hong-bin; Dorning, J.J.

1992-01-01

The authors recently have developed a self-consistent and systematic lattice cell and fuel bundle homogenization theory based on a multiple spatial scales asymptotic expansion of the transport equation in the ratio of the mean free path to the reactor characteristics dimension for use with nodal diffusion methods. The mathematical development leads naturally to self-consistent analytical expressions for homogenized diffusion coefficients and cross sections and flux discontinuity factors to be used in nodal diffusion calculations. The expressions for the homogenized nuclear parameters that follow from the systematic homogenization theory (SHT) are different from those for the traditional flux and volume-weighted (FVW) parameters. The calculations summarized here show that the systematic homogenization theory developed recently for nodal diffusion methods yields accurate values for k eff and assembly powers even when compared with the results of a fine mesh transport calculation. Thus, it provides a practical alternative to equivalence theory and GET (Ref. 3) and to simplified equivalence theory, which requires auxiliary fine-mesh calculations for assemblies embedded in a typical environment to determine the discontinuity factors and the equivalent diffusion coefficient for a homogenized assembly

Spray structure as generated under homogeneous flash boiling nucleation regime

International Nuclear Information System (INIS)

Levy, M.; Levy, Y.; Sher, E.

2014-01-01

We show the effect of the initial pressure and temperature on the spatial distribution of droplets size and their velocity profile inside a spray cloud that is generated by a flash boiling mechanism under homogeneous nucleation regime. We used TSI's Phase Doppler Particle Analyzer (PDPA) to characterize the spray. We conclude that the homogeneous nucleation process is strongly affected by the initial liquid temperature while the initial pressure has only a minor effect. The spray shape is not affected by temperature or pressure under homogeneous nucleation regime. We noted that the only visible effect is in the spray opacity. Finally, homogeneous nucleation may be easily achieved by using a simple atomizer construction, and thus is potentially suitable for fuel injection systems in combustors and engines. - Highlights: • We study the characteristics of a spray that is generated by a flash boiling process. • In this study, the flash boiling process occurs under homogeneous nucleation regime. • We used Phase Doppler Particle Analyzer (PDPA) to characterize the spray. • The SMD has been found to be strongly affected by the initial liquid temperature. • Homogeneous nucleation may be easily achieved by using a simple atomizer unit

I.C. Engine emission reduction by copper oxide catalytic converter

Science.gov (United States)

Venkatesan, S. P.; Shubham Uday, Desai; Karan Hemant, Borana; Rajarshi Kushwanth Goud, Kagita; Lakshmana Kumar, G.; Pavan Kumar, K.

2017-05-01

The toxic gases emitted from diesel engines are more than petrol engines. Predicting the use of diesel engines, even more in future, this system is developed and can be used to minimize the harmful gases. Toxic gases include NOX, CO, HC and Smoke which are harmful to the atmosphere as well as to the human beings. The main aim of this work is to fabricate system, where the level of intensity of toxic gases is controlled through chemical reaction to more agreeable level. This system acts itself as an exhaust system; hence there is no needs to fit separate the silencer. The whole assembly is fitted in the exhaust pipe from engine. In this work, catalytic converter with copper oxide as a catalyst, by replacing noble catalysts such as platinum, palladium and rhodium is fabricated and fitted in the engine exhaust. With and without catalytic converter, the experimentations are carried out at different loads such as 0%, 25%, 50%, 75%, and 100% of maximum rated load. From the experimental results it is found that the maximum reduction is 32%, 61% and 21% for HC, NOx and CO respectively at 100% of maximum rated load when compared to that of without catalytic converter. This catalytic converter system is cash effective and more economical than the existing catalytic converter.

Catalytic antibodies in clinical and experimental pathology: human and mouse models.

Science.gov (United States)

Ponomarenko, Natalya A; Durova, Oxana M; Vorobiev, Ivan I; Aleksandrova, Elena S; Telegin, Georgy B; Chamborant, Olga G; Sidorik, Lyudmila L; Suchkov, Sergei V; Alekberova, Zemfira S; Gnuchev, Nikolay V; Gabibov, Alexander G

2002-11-01

Most of the data accumulated through studies on natural catalytic autoantibodies indicate that production scales up markedly in pathological abnormalities. We have previously described an increased level of DNA-hydrolyzing autoantibodies in the sera of patients with various autoimmune disorders [systemic lupus erythematosus (SLE), rheumatoid arthritis, scleroderma], HIV infection and lymphoproliferative diseases accompanied by autoimmune manifestations. In the present study, we show that an increased level of catalytic activity of autoantibodies can be observed in the sera of autoimmune mice, thus providing a fundamental insight into the medical relevance of abzymes. Polyclonal autoantibodies purified from sera of NZB/W, MRL-lpr/lpr and SJL/J mice show proteolytic and DNA-hydrolyzing activities, as opposed to those harvested from non-autoimmune BALB/c mice. The expressiveness of the catalytic activity was strongly dependent on the age of the animal. The highest levels of catalytic activity were found in the sera of mice aged between 8 and 12 months; the lowest level was typical of younger animals whose age ranged from 6 to 8 weeks. Specific inhibition assays of the catalytic activities were performed to throw light on the nature of the abzyme activity. Within a cohort of aging animals, a strong correlation between marked autoimmune abnormalities and levels of catalytic activities has been established. Nonimmunized SJL/J mice revealed specific immune responses to myelin basic protein (MBP), skeletal muscle myosin (skMyo) and cardiac myosin (Myo), and highly purified antibodies from their serum show specific proteolytic attack against the target antigens. This finding prompted us to undertake a more detailed study of specific antibody-mediated proteolysis in diseased humans. A targeted catalytic response was originally demonstrated against MBP and Myo in multiple sclerosis and myocarditis patients, respectively.

Qualitative analysis of homogeneous universes

International Nuclear Information System (INIS)

Novello, M.; Araujo, R.A.

1980-01-01

The qualitative behaviour of cosmological models is investigated in two cases: Homogeneous and isotropic Universes containing viscous fluids in a stokesian non-linear regime; Rotating expanding universes in a state which matter is off thermal equilibrium. (Author) [pt

An iterative homogenization technique that preserves assembly core exchanges

International Nuclear Information System (INIS)

Mondot, Ph.; Sanchez, R.

2003-01-01

A new interactive homogenization procedure for reactor core calculations is proposed that requires iterative transport assembly and diffusion core calculations. At each iteration the transport solution of every assembly type is used to produce homogenized cross sections for the core calculation. The converged solution gives assembly fine multigroup transport fluxes that preserve macro-group assembly exchanges in the core. This homogenization avoids the periodic lattice-leakage model approximation and gives detailed assembly transport fluxes without need of an approximated flux reconstruction. Preliminary results are given for a one-dimensional core model. (authors)

Catalytic flash pyrolysis of oil-impregnated-wood and jatropha cake using sodium based catalysts

KAUST Repository

Imran, Ali; Bramer, Eddy A.; Seshan, Kulathuiyer; Brem, Gerrit

2015-01-01

Catalytic pyrolysis of wood with impregnated vegetable oil was investigated and compared with catalytic pyrolysis of jatropha cake making use of sodium based catalysts to produce a high quality bio-oil. The catalytic pyrolysis was carried out in two

Microwave-irradiated preparation of reduced graphene oxide-Ni nanostructures and their enhanced performance for catalytic reduction of 4-nitrophenol

Energy Technology Data Exchange (ETDEWEB)

Qiu, Hanxun, E-mail: hxqiu@usst.edu.cn; Qiu, Feilong; Han, Xuebin; Li, Jing; Yang, Junhe, E-mail: jhyang@usst.edu.cn

2017-06-15

Highlights: • Nickel nanoparticle-decorated reduced graphene-oxide nanostructures were prepared by an environmentally friendly, one-pot strategy via an efficient microwave irradiation approach. • Upon microwave irradiation, the composites could be prepared within only a few hundred seconds, much faster than using the widely used traditional hydrothermal methods that may take tens of hours generally. • The nanostructure exhibits superior catalytic activity and selectivity towards transforming the highly toxic nitroaromatic compounds to industrially useful intermediates • The corresponding kinetic reaction rate constant (κ) is even four-fold compared to pure Ni nanoparticles. - Abstract: Here we report an environmentally friendly, one-pot strategy toward preparation of nickel nanoparticle-decorated reduced graphene-oxide (Ni-RGO) nanostructures, by employing Ni(AC){sub 2} as nickel source and ethylene glycol as both solvent and reducing agent via a facile microwave irradiation heating approach. The results show that Ni nanoparticles with an average diameter of around 40 nm are homogeneously anchored onto the surface of RGO sheets. As compared to the pure Ni nanoparticles and RGO sheets, Ni-RGO composites with over 64 wt% loading of Ni nanoparticles possess superior catalytic activities and selectivity toward the reduction of 4-nitrophenol. The corresponding kinetic reaction rate constant (defined as κ) is even four-fold compared to pure Ni nanoparticles. Such promising composites show great potential for friendly treatment of industrial waste containing nitrophenol in a simple, sustainable and green way.

Microwave-irradiated preparation of reduced graphene oxide-Ni nanostructures and their enhanced performance for catalytic reduction of 4-nitrophenol

International Nuclear Information System (INIS)

Qiu, Hanxun; Qiu, Feilong; Han, Xuebin; Li, Jing; Yang, Junhe

2017-01-01

Highlights: • Nickel nanoparticle-decorated reduced graphene-oxide nanostructures were prepared by an environmentally friendly, one-pot strategy via an efficient microwave irradiation approach. • Upon microwave irradiation, the composites could be prepared within only a few hundred seconds, much faster than using the widely used traditional hydrothermal methods that may take tens of hours generally. • The nanostructure exhibits superior catalytic activity and selectivity towards transforming the highly toxic nitroaromatic compounds to industrially useful intermediates • The corresponding kinetic reaction rate constant (κ) is even four-fold compared to pure Ni nanoparticles. - Abstract: Here we report an environmentally friendly, one-pot strategy toward preparation of nickel nanoparticle-decorated reduced graphene-oxide (Ni-RGO) nanostructures, by employing Ni(AC) 2 as nickel source and ethylene glycol as both solvent and reducing agent via a facile microwave irradiation heating approach. The results show that Ni nanoparticles with an average diameter of around 40 nm are homogeneously anchored onto the surface of RGO sheets. As compared to the pure Ni nanoparticles and RGO sheets, Ni-RGO composites with over 64 wt% loading of Ni nanoparticles possess superior catalytic activities and selectivity toward the reduction of 4-nitrophenol. The corresponding kinetic reaction rate constant (defined as κ) is even four-fold compared to pure Ni nanoparticles. Such promising composites show great potential for friendly treatment of industrial waste containing nitrophenol in a simple, sustainable and green way.

Metallographic Index-Based Quantification of the Homogenization State in Extrudable Aluminum Alloys

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Panagiota I. Sarafoglou

2016-05-01

Full Text Available Extrudability of aluminum alloys of the 6xxx series is highly dependent on the microstructure of the homogenized billets. It is therefore very important to characterize quantitatively the state of homogenization of the as-cast billets. The quantification of the homogenization state was based on the measurement of specific microstructural indices, which describe the size and shape of the intermetallics and indicate the state of homogenization. The indices evaluated were the following: aspect ratio (AR, which is the ratio of the maximum to the minimum diameter of the particles, feret (F, which is the maximum caliper length, and circularity (C, which is a measure of how closely a particle resembles a circle in a 2D metallographic section. The method included extensive metallographic work and the measurement of a large number of particles, including a statistical analysis, in order to investigate the effect of homogenization time. Among the indices examined, the circularity index exhibited the most consistent variation with homogenization time. The lowest value of the circularity index coincided with the metallographic observation for necklace formation. Shorter homogenization times resulted in intermediate homogenization stages involving rounding of edges or particle pinching. The results indicated that the index-based quantification of the homogenization state could provide a credible method for the selection of homogenization process parameters towards enhanced extrudability.

Plasma-activated core-shell gold nanoparticle films with enhanced catalytic properties

Energy Technology Data Exchange (ETDEWEB)

Llorca, Jordi, E-mail: jordi.llorca@upc.edu; Casanovas, Albert; Dominguez, Montserrat; Casanova, Ignasi [Universitat Politecnica de Catalunya, Institut de Tecniques Energetiques (Spain); Angurell, Inmaculada; Seco, Miquel; Rossell, Oriol [Universitat de Barcelona, Departament de Quimica Inorganica (Spain)

2008-03-15

Catalytically active gold nanoparticle films have been prepared from core-shell nanoparticles by plasma-activation and characterized by high-resolution transmission electron microscopy, atomic force microscopy, and X-ray photoelectron spectroscopy. Methane can be selectively oxidized into formic acid with an O{sub 2}-H{sub 2} mixture in a catalytic wall reactor functionalized with plasma-activated gold nanoparticle films containing well-defined Au particles of about 3.5 nm in diameter. No catalytic activity was recorded over gold nanoparticle films prepared by thermal decomposition of core-shell nanoparticles due to particle agglomeration.

Plasma-activated core-shell gold nanoparticle films with enhanced catalytic properties

International Nuclear Information System (INIS)

Llorca, Jordi; Casanovas, Albert; Dominguez, Montserrat; Casanova, Ignasi; Angurell, Inmaculada; Seco, Miquel; Rossell, Oriol

2008-01-01

Catalytically active gold nanoparticle films have been prepared from core-shell nanoparticles by plasma-activation and characterized by high-resolution transmission electron microscopy, atomic force microscopy, and X-ray photoelectron spectroscopy. Methane can be selectively oxidized into formic acid with an O 2 -H 2 mixture in a catalytic wall reactor functionalized with plasma-activated gold nanoparticle films containing well-defined Au particles of about 3.5 nm in diameter. No catalytic activity was recorded over gold nanoparticle films prepared by thermal decomposition of core-shell nanoparticles due to particle agglomeration

From biomass to advanced bio-fuel by catalytic pyrolysis/hydro-processing: hydrodeoxygenation of bio-oil derived from biomass catalytic pyrolysis.

Science.gov (United States)

Wang, Yuxin; He, Tao; Liu, Kaituo; Wu, Jinhu; Fang, Yunming

2012-03-01

Compared hydrodeoxygenation experimental studies of both model compounds and real bio-oil derived from biomass fast pyrolysis and catalytic pyrolysis was carried out over two different supported Pt catalysts. For the model compounds, the deoxygenation degree of dibenzofuran was higher than that of cresol and guaiacol over both Pt/Al(2)O(3) and the newly developed Pt supported on mesoporous zeolite (Pt/MZ-5) catalyst, and the deoxygenation degree of cresol over Pt/MZ-5 was higher than that over Pt/Al(2)O(3). The results indicated that hydrodeoxygenation become much easier upon oxygen reduction. Similar to model compounds study, the hydrodeoxygenation of the real bio-oil derived from catalytic pyrolysis was much easier than that from fast pyrolysis over both Pt catalysts, and the Pt/MZ-5 again shows much higher deoxygenation ability than Pt/Al(2)O(3). Clearly synergy between catalytic pyrolysis and bio-oil hydro-processing was found in this paper and this finding will lead an advanced biofuel production pathway in the future. Copyright © 2012 Elsevier Ltd. All rights reserved.

Effect of high-pressure homogenization on different matrices of food supplements.

Science.gov (United States)

Martínez-Sánchez, Ascensión; Tarazona-Díaz, Martha Patricia; García-González, Antonio; Gómez, Perla A; Aguayo, Encarna

2016-12-01

There is a growing demand for food supplements containing high amounts of vitamins, phenolic compounds and mineral content that provide health benefits. Those functional compounds have different solubility properties, and the maintenance of their compounds and the guarantee of their homogenic properties need the application of novel technologies. The quality of different drinkable functional foods after thermal processing (0.1 MPa) or high-pressure homogenization under two different conditions (80 MPa, 33 ℃ and 120 MPa, 43 ℃) was studied. Physicochemical characteristics and sensory qualities were evaluated throughout the six months of accelerated storage at 40 ℃ and 75% relative humidity (RH). Aroma and color were better maintained in high-pressure homogenization-treated samples than the thermally treated ones, which contributed significantly to extending their shelf life. The small particle size obtained after high-pressure homogenization treatments caused differences in turbidity and viscosity with respect to heat-treated samples. The use of high-pressure homogenization, more specifically, 120 MPa, provided active ingredient homogeneity to ensure uniform content in functional food supplements. Although the effect of high-pressure homogenization can be affected by the food matrix, high-pressure homogenization can be implemented as an alternative to conventional heat treatments in a commercial setting within the functional food supplement or pharmaceutical industry. © The Author(s) 2016.

Rapid biotic homogenization of marine fish assemblages

Science.gov (United States)

Magurran, Anne E.; Dornelas, Maria; Moyes, Faye; Gotelli, Nicholas J.; McGill, Brian

2015-01-01

The role human activities play in reshaping biodiversity is increasingly apparent in terrestrial ecosystems. However, the responses of entire marine assemblages are not well-understood, in part, because few monitoring programs incorporate both spatial and temporal replication. Here, we analyse an exceptionally comprehensive 29-year time series of North Atlantic groundfish assemblages monitored over 5° latitude to the west of Scotland. These fish assemblages show no systematic change in species richness through time, but steady change in species composition, leading to an increase in spatial homogenization: the species identity of colder northern localities increasingly resembles that of warmer southern localities. This biotic homogenization mirrors the spatial pattern of unevenly rising ocean temperatures over the same time period suggesting that climate change is primarily responsible for the spatial homogenization we observe. In this and other ecosystems, apparent constancy in species richness may mask major changes in species composition driven by anthropogenic change. PMID:26400102

Mechanistic Studies at the Interface Between Organometallic Chemistry and Homogeneous Catalysis

Energy Technology Data Exchange (ETDEWEB)

Casey, Charles P

2012-11-14

Mechanistic Studies at the Interface Between Organometallic Chemistry and Homogeneous Catalysis Charles P. Casey, Principal Investigator Department of Chemistry, University of Wisconsin - Madison, Madison, Wisconsin 53706 Phone 608-262-0584 FAX: 608-262-7144 Email: casey@chem.wisc.edu http://www.chem.wisc.edu/main/people/faculty/casey.html Executive Summary. Our goal was to learn the intimate mechanistic details of reactions involved in homogeneous catalysis and to use the insight we gain to develop new and improved catalysts. Our work centered on the hydrogenation of polar functional groups such as aldehydes and ketones and on hydroformylation. Specifically, we concentrated on catalysts capable of simultaneously transferring hydride from a metal center and a proton from an acidic oxygen or nitrogen center to an aldehyde or ketone. An economical iron based catalyst was developed and patented. Better understanding of fundamental organometallic reactions and catalytic processes enabled design of energy and material efficient chemical processes. Our work contributed to the development of catalysts for the selective and mild hydrogenation of ketones and aldehydes; this will provide a modern green alternative to reductions by LiAlH4 and NaBH4, which require extensive work-up procedures and produce waste streams. (C5R4OH)Ru(CO)2H Hydrogenation Catalysts. Youval Shvo described a remarkable catalytic system in which the key intermediate (C5R4OH)Ru(CO)2H (1) has an electronically coupled acidic OH unit and a hydridic RuH unit. Our efforts centered on understanding and improving upon this important catalyst for reduction of aldehydes and ketones. Our mechanistic studies established that the reduction of aldehydes by 1 to produce alcohols and a diruthenium bridging hydride species occurs much more rapidly than regeneration of the ruthenium hydride from the diruthenium bridging hydride species. Our mechanistic studies require simultaneous transfer of hydride from ruthenium to

OPERATING SPECIFICATIONS OF CATALYTIC CLEANING OF GAS FROM BIOMASS GASIFICATION

Directory of Open Access Journals (Sweden)

Martin Lisý

2015-12-01

Full Text Available The paper focuses on the theoretical description of the cleaning of syngas from biomass and waste gasification using catalytic methods, and on the verification of the theory through experiments. The main obstruction to using syngas from fluid gasification of organic matter is the presence of various high-boiling point hydrocarbons (i.e., tar in the gas. The elimination of tar from the gas is a key factor in subsequent use of the gas in other technologies for cogeneration of electrical energy and heat. The application of a natural or artificial catalyst for catalytic destruction of tar is one of the methods of secondary elimination of tar from syngas. In our experiments, we used a natural catalyst (dolomite or calcium magnesium carbonate from Horní Lánov with great mechanical and catalytic properties, suitable for our purposes. The advantages of natural catalysts in contrast to artificial catalysts include their availability, low purchase prices and higher resilience to the so-called catalyst poison. Natural calcium catalysts may also capture undesired compounds of sulphure and chlorine. Our paper presents a theoretical description and analysis of catalytic destruction of tar into combustible gas components, and of the impact of dolomite calcination on its efficiency. The efficiency of the technology is verified in laboratories. The facility used for verification was a 150 kW pilot gasification unit with a laboratory catalytic filter. The efficiency of tar elimination reached 99.5%, the tar concentration complied with limits for use of the gas in combustion engines, and the tar content reached approximately 35 mg/mn3. The results of the measurements conducted in laboratories helped us design a pilot technology for catalytic gas cleaning.

Fuel Flexible, Low Emission Catalytic Combustor for Opportunity Fuel Applications

Energy Technology Data Exchange (ETDEWEB)

Eteman, Shahrokh

2013-06-30

Limited fuel resources, increasing energy demand and stringent emission regulations are drivers to evaluate process off-gases or process waste streams as fuels for power generation. Often these process waste streams have low energy content and/or highly reactive components. Operability of low energy content fuels in gas turbines leads to issues such as unstable and incomplete combustion. On the other hand, fuels containing higher-order hydrocarbons lead to flashback and auto-ignition issues. Due to above reasons, these fuels cannot be used directly without modifications or efficiency penalties in gas turbine engines. To enable the use of these wide variety of fuels in gas turbine engines a rich catalytic lean burn (RCL®) combustion system was developed and tested in a subscale high pressure (10 atm.) rig. The RCL® injector provided stability and extended turndown to low Btu fuels due to catalytic pre-reaction. Previous work has shown promise with fuels such as blast furnace gas (BFG) with LHV of 85 Btu/ft3 successfully combusted. This program extends on this work by further modifying the combustor to achieve greater catalytic stability enhancement. Fuels containing low energy content such as weak natural gas with a Lower Heating Value (LHV) of 6.5 MJ/m3 (180 Btu/ft3 to natural gas fuels containing higher hydrocarbon (e.g ethane) with LHV of 37.6 MJ/m3 (1010 Btu/ft3) were demonstrated with improved combustion stability; an extended turndown (defined as the difference between catalytic and non-catalytic lean blow out) of greater than 250oF was achieved with CO and NOx emissions lower than 5 ppm corrected to 15% O2. In addition, for highly reactive fuels the catalytic region preferentially pre-reacted the higher order hydrocarbons with no events of flashback or auto-ignition allowing a stable and safe operation with low NOx and CO emissions.

Spontaneous compactification to homogeneous spaces

International Nuclear Information System (INIS)

Mourao, J.M.

1988-01-01

The spontaneous compactification of extra dimensions to compact homogeneous spaces is studied. The methods developed within the framework of coset space dimensional reduction scheme and the most general form of invariant metrics are used to find solutions of spontaneous compactification equations

Catalytic gasification in fluidized bed, of orange waste. Comparison with non catalytic gasification

International Nuclear Information System (INIS)

Aguiar Trujillo, Leonardo; Marquez Montesinos, Francisco; Ramos Robaina, Boris A.; Guerra Reyes, Yanet; Arauzo Perez, Jesus; Gonzalo Callejo, Alberto; Sanchez Cebrian, Jose L

2011-01-01

The industry processing of the orange, generates high volumes of solid waste. This waste has been used as complement in the animal feeding, in biochemical processes; but their energy use has not been valued by means of the gasification process. They were carried out gasification studies with air in catalytic fluidized bed (using dolomite and olivine as catalysts in a secondary reactor, also varying the temperature of the secondary reactor and the catalyst mass), of the solid waste of orange and the results are compared with those obtained in the gasification with non catalytic air. In the processes we use a design of complete factorial experiment of 2k, valuing the influence of the independent variables and their interactions in the answers, using the software Design-Expert version 7 and a grade of significance of 95 %. The results demonstrate the qualities of the solid waste of orange in the energy use by means of the gasification process for the treatment of these residuals, obtaining a gas of low caloric value. The use of catalysts also diminishes the yield of tars obtained in the gasification process, being more active the dolomite that the olivine in this process. (author)

On integral representation, relaxation and homogenization for unbounded functionals

International Nuclear Information System (INIS)

Carbone, L.; De Arcangelis, R.

1997-01-01

A theory of integral representation, relaxation and homogenization for some types of variational functionals taking extended real values and possibly being not finite also on large classes of regular functions is presented. Some applications to gradient constrained relaxation and homogenization problems are given

Mechanisms of catalytic activity in heavily coated hydrocracking catalysts

Energy Technology Data Exchange (ETDEWEB)

Millan, M.; Adell, C.; Hinojosa, C.; Herod, A.A.; Kandiyoti, R. [University of London Imperial College Science Technology & Medicine, London (United Kingdom). Dept. of Chemical Engineering

2008-01-15

Catalyst deactivation by coke deposition has a direct impact on the economic viability of heavy hydrocarbon upgrading processes, such as coal liquefaction and oil residue hydroprocessing. Coke deposition is responsible for rapid loss of catalytic activity and it mostly takes place in the early stages of hydrocracking. The effect of carbonaceous deposition on the catalytic activity of a chromium pillared montmorillonite has been studied in the present work. Its catalytic activity in hydrocracking a coal extract was evaluated based on the boiling point distributions of feed and products obtained by thermogravimetric analysis (TGA), and their characterisation by size exclusion chromatography (SEC) and UV-Fluorescence spectroscopy (UV-F). A large deposition on the catalyst was observed after two successive 2-hour long runs in which the catalyst recovered from the first run was reused in the second. The pillared clay retained its activity even though it showed high carbon loading, a large drop in surface area and complete apparent pore blockage. Some observations may contribute to explain this persistent catalytic activity. First, there is evidence suggesting the dynamic nature of the carbonaceous deposits, which continuously exchange material with the liquid, allowing catalytic activity to continue. Secondly, Scanning Electron Microscopy (SEM) on the used Cr montmorillonite has shown preferential deposition on some regions of the catalyst, which leaves a fraction of the surface relatively exposed. Finally, evidence from SEM coupled to X-ray microanalysis also suggest that deposits are thinner in areas where the active phase of the catalyst is present in higher concentrations. Hydrogenation on the active sites would make the deposits more soluble in the liquid cleaning of surrounding area from deposits.

Synthesis of bio-additives: transesterification of ethyl acetate with glycerol using homogeneous or heterogeneous acid catalysts

Energy Technology Data Exchange (ETDEWEB)

Meireles, Bruno A.; Pereira, Vera Lucia P., E-mail: patrocinio@nppn.ufrj.br [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Centro de Ciencias da Saude. Nucleo de Pesquisas de Produtos Naturais

2013-01-15

A new catalytic route with potential practical interest to sustainable production of bioadditives from glycerol is described. Ethyl acetate was transesterified with glycerol, in the ratio glycerol:EtOAc 1:10, at 25 or 90 deg C using 0.1 equiv.of H{sub 2}SO{sub 4} or TsOH, as homogeneous catalysts. H{sub 2}SO{sub 4} led to the total glycerol consumption in 2 h. In the equilibrium, attained in 9 h, 100% yield of a diacetin:triacetin (55:45) mixture was formed. Using Amberlyst Registered-Sign 15 dry and Amberlyst Registered-Sign 16 wet in 1:30 glycerol:EtOAc ratio and reflux at 90 Degree-Sign C the total glycerol consumption was achieved in 2 and 10h, respectively. The lower reactivity of Amberlyst-16 wet was explained in terms of deactivation of acid sites and decrease in glycerol diffusion to the inner resin pores, both factors caused by adsorbed water. The kinetics of glycerol transformation and product distribution in the equilibrium in relation to the H{sub 2}SO{sub 4}, Amberlyst-15 (dry) and Amberlyst-16 (wet) catalyzed reactions were measured. (author)

Challenges of the movement of catalytic micromotors in blood.

Science.gov (United States)

Zhao, Guanjia; Viehrig, Marlitt; Pumera, Martin

2013-05-21

Catalytic microjet bubble-propelled engines have attracted a large amount of interest for their potential applications in biomedicine, environmental sciences and natural resources discovery. One of the current efforts in this field is focused on the search of biocompatible fuels. However, only a minimal amount of effort has been made to assess the challenges facing the movement of such devices in a real world environment, especially with regards to the components of blood and their interactions with the catalytic microjets. Herein, we will show the limitations on the movement of catalytic microengines prepared via the rolled-up, as well as the templated-electrochemical deposition method, in an artificial blood sample, due to the presence of two main components of animal blood: the cellular component (red blood cells in this study) and serum. We will show that the motion of catalytic microjets is only possible in highly diluted dispersions of the red blood cells and serum. This finding has a profound implication on the development of the whole field, where the components found in real environments have to be considered carefully, and issues arising from the presence of such components have to be resolved prior to deploying these devices in real world applications.

Flows and chemical reactions in homogeneous mixtures

CERN Document Server

Prud'homme, Roger

2013-01-01

Flows with chemical reactions can occur in various fields such as combustion, process engineering, aeronautics, the atmospheric environment and aquatics. The examples of application chosen in this book mainly concern homogeneous reactive mixtures that can occur in propellers within the fields of process engineering and combustion: - propagation of sound and monodimensional flows in nozzles, which may include disequilibria of the internal modes of the energy of molecules; - ideal chemical reactors, stabilization of their steady operation points in the homogeneous case of a perfect mixture and c

Photolytic AND Catalytic Destruction of Organic Waste Water Pollutants

Science.gov (United States)

Torosyan, V. F.; Torosyan, E. S.; Kryuchkova, S. O.; Gromov, V. E.

2017-01-01

The system: water supply source - potable and industrial water - wastewater - sewage treatment - water supply source is necessary for water supply and efficient utilization of water resources. Up-to-date technologies of waste water biological treatment require for special microorganisms, which are technologically complex and expensive but unable to solve all the problems. Application of photolytic and catalytically-oxidizing destruction is quite promising. However, the most reagents are strong oxidizers in catalytic oxidation of organic substances and can initiate toxic substance generation. Methodic and scientific approaches to assess bread making industry influence on the environment have been developed in this paper in order to support forecasting and taking technological decisions concerning reduction of this influence. Destructive methods have been tested: ultra violet irradiation and catalytic oxidation for extraction of organic compounds from waste water by natural reagents.

Catalytic Ammonia Decomposition Over Ruthenium Nanoparticles Supported on Nano-Titanates

DEFF Research Database (Denmark)

Klerke, Asbjørn; Klitgaard, Søren Kegnæs; Fehrmann, Rasmus

2009-01-01

Nanosized Na2Ti3O7, K2Ti6O13 and Cs2Ti6O13 materials were prepared and used as supports of ruthenium nanoparticles for catalytic ammonia decomposition. It is shown that these catalysts exhibit higher catalytic activity than ruthenium supported on TiO2 nanoparticles promoted with cesium. The diffe...

Large-scale Homogenization of Bulk Materials in Mammoth Silos

NARCIS (Netherlands)

Schott, D.L.

2004-01-01

This doctoral thesis concerns the large-scale homogenization of bulk materials in mammoth silos. The objective of this research was to determine the best stacking and reclaiming method for homogenization in mammoth silos. For this purpose a simulation program was developed to estimate the

Catalytical Properties of Free and Immobilized Aspergillus niger Tannase

OpenAIRE

Abril Flores-Maltos; Luis V. Rodríguez-Durán; Jacqueline Renovato; Juan C. Contreras; Raúl Rodríguez; Cristóbal N. Aguilar

2011-01-01

A fungal tannase was produced, recovered, and immobilized by entrapment in calcium alginate beads. Catalytical properties of the immobilized enzyme were compared with those of the free one. Tannase was produced intracellularly by the xerophilic fungus Aspergillus niger GH1 in a submerged fermentation system. Enzyme was recovered by cell disruption and the crude extract was partially purified. The catalytical properties of free and immobilized tannase were evaluated using tannic acid and methy...

Studies on bis(halogeno) dioxomolybdenum(VI)-bipyridine complexes: synthesis and catalytic activity.

Science.gov (United States)

Günyar, Alev; Zhou, Ming-Dong; Drees, Markus; Baxter, Paul N W; Bassioni, Ghada; Herdtweck, Eberhardt; Kühn, Fritz E

2009-10-28

Dioxomolybdenum(VI) complexes with the general formula [MoO2Cl2L2] (L2=3,3'-dimethyl-2,2'-bipyridine, 5,5'-dimethyl-2,2'-bipyridine, 6,6'-dimethyl-2,2'-bipyridine, 4,4'-dibromo-2,2'-bipyridine, 5,5'-dibromo-2,2'-bipyridine, 5,5'-diamino-2,2'-bipyridine; 5,5'-dinitro-2,2'-bipyridine; 5,5'-di-ethoxycarbonyl-2,2'-bipyridine; 6-phenyl-2,2'-bipyridine; 2,2':6',2''-terpyridine) have been prepared and characterised. [MoO2Cl2(5,5'-di-ethoxycarbonyl-2,2'-bipyridine)] has been examined by single crystal X-ray analysis. The complexes were applied as homogenous catalysts for the epoxidation of cyclooctene with tert-butyl hydroperoxide (TBHP) as oxidising agent. The new compounds show an overall high activity and are highly selective catalysts in the epoxidation of cyclooctene. The stability of the complexes and differences in the catalytic activity can be clearly attributed to electronic contributions of the functional groups on bipyridine ligands and to steric restrictions. DFT calculations have assisted in a better understanding of the stability of the complexes and are in agreement with experiment. The influence of the terminal oxo ligands and the Lewis base ligands on the Mo center keep the compounds on quite a stable level of electron density.

Chemistry and engineering of catalytic hydrodesulfurization

NARCIS (Netherlands)

Schuit, G.C.A.; Gates, B.C.

1973-01-01

A review with 74 refs. on catalytic hydrodesulfurization of pure compds. and petroleum feedstocks, with emphasis on reaction intermediates and structures of Al2O3-supported Ni-W and Co-Mo catalysts. [on SciFinder (R)

Kinetic and catalytic performance of a BI-porous composite material in catalytic cracking and isomerisation reactions

KAUST Repository

Al-Khattaf, S.; Odedairo, T.; Balasamy, R. J.

2012-01-01

Catalytic behaviour of pure zeolite ZSM-5 and a bi-porous composite material (BCM) were investigated in transformation of m-xylene, while zeolite HY and the bi-porous composite were used in the cracking of 1,3,5-triisopropylbenzene (TIPB). The micro

New Homogeneous Chromophore/Catalyst Concepts for the Solar-Driven Reduction of Carbon Dioxide

Energy Technology Data Exchange (ETDEWEB)

Hopkins, Michael D. [The University of Chicago, Chicago, IL (United States)

2015-06-22

One of the major scientific and technical challenges of this century is to develop chemical means to store solar energy in the form of fuels. This can be accomplished by developing light-absorbing and catalytic compounds that function cooperatively to rearrange the chemical bonds of feedstocks in a way that allows solar energy to be stored and released on demand. The research conducted during this project was directed toward addressing fundamental questions that underlie the conversion of CO₂ to a solar fuel using homogeneous molecular systems. The research focused particularly on developing methods for extracting the reducing equivalents for these photochemical conversions from H₂, which is a renewable molecule sourced to water. The research followed two main lines. One effort focused on understanding the general principles that govern how light-absorbing molecules interact with independent H₂ oxidation and CO₂ reduction catalysts to produce a functional cycle for driving the energy-storing reverse water-gas-shift reaction with light. The second effort centered on developing the excited-state properties and H₂ activation chemistry of tungsten–alkylidyne complexes. These chromophores were found to be powerful excited-state reducing agents, which could be incorporated into light-light-harvesting assemblies, and to hold the potential to be regenerated using H₂.

Catalytic reforming methods

Science.gov (United States)

Tadd, Andrew R; Schwank, Johannes

2013-05-14

A catalytic reforming method is disclosed herein. The method includes sequentially supplying a plurality of feedstocks of variable compositions to a reformer. The method further includes adding a respective predetermined co-reactant to each of the plurality of feedstocks to obtain a substantially constant output from the reformer for the plurality of feedstocks. The respective predetermined co-reactant is based on a C/H/O atomic composition for a respective one of the plurality of feedstocks and a predetermined C/H/O atomic composition for the substantially constant output.

Soluble Molecularly Imprinted Nanorods for Homogeneous Molecular Recognition

Directory of Open Access Journals (Sweden)

Rongning Liang

2018-03-01

Full Text Available Nowadays, it is still difficult for molecularly imprinted polymers (MIPs to achieve homogeneous recognition since they cannot be easily dissolved in organic or aqueous phase. To address this issue, soluble molecularly imprinted nanorods have been synthesized by using soluble polyaniline doped with a functionalized organic protonic acid as the polymer matrix. By employing 1-naphthoic acid as a model, the proposed imprinted nanorods exhibit an excellent solubility and good homogeneous recognition ability. The imprinting factor for the soluble imprinted nanoroads is 6.8. The equilibrium dissociation constant and the apparent maximum number of the proposed imprinted nanorods are 248.5 μM and 22.1 μmol/g, respectively. We believe that such imprinted nanorods may provide an appealing substitute for natural receptors in homogeneous recognition related fields.

Soluble Molecularly Imprinted Nanorods for Homogeneous Molecular Recognition

Science.gov (United States)

Liang, Rongning; Wang, Tiantian; Zhang, Huan; Yao, Ruiqing; Qin, Wei

2018-03-01

Nowadays, it is still difficult for molecularly imprinted polymer (MIPs) to achieve homogeneous recognition since they cannot be easily dissolved in organic or aqueous phase. To address this issue, soluble molecularly imprinted nanorods have been synthesized by using soluble polyaniline doped with a functionalized organic protonic acid as the polymer matrix. By employing 1-naphthoic acid as a model, the proposed imprinted nanorods exhibit an excellent solubility and good homogeneous recognition ability. The imprinting factor for the soluble imprinted nanoroads is 6.8. The equilibrium dissociation constant and the apparent maximum number of the proposed imprinted nanorods are 248.5 μM and 22.1 μmol/g, respectively. We believe that such imprinted nanorods may provide an appealing substitute for natural receptors in homogeneous recognition related fields.

Heterogeneous kinetic modeling of the catalytic conversion of cycloparaffins

Science.gov (United States)

Al-Sabawi, Mustafa N.

The limited availability of high value light hydrocarbon feedstocks along with the rise in crude prices has resulted in the international recognition of the vast potential of Canada's oil sands. With the recent expansion of Canadian bitumen production come, however, many technical challenges, one of which is the significant presence of aromatics and cycloparaffins in bitumen-derived feedstocks. In addition to their negative environmental impact, aromatics limit fluid catalytic cracking (FCC) feedstock conversion, decrease the yield and quality of valuable products such as gasoline and middle distillates, increase levels of polyaromatic hydrocarbons prone to form coke on the catalyst, and ultimately compromise the FCC unit performance. Although cycloparaffins do not have such negative impacts, they are precursors of aromatics as they frequently undergo hydrogen transfer reactions. However, cycloparaffin cracking chemistry involves other competing reactions that are complex and need much investigation. This dissertation provides insights and understanding of the fundamentals of the catalytic cracking of cycloparaffins using carefully selected model compounds such as methylcyclohexane (MCH) and decalin. Thermal and catalytic cracking of these cycloparaffins on FCC-type catalysts are carried out using the CREC Riser Simulator under operating conditions similar to those of the industrial FCC units in terms of temperature, reaction time, reactant partial pressure and catalyst-to-hydrocarbon ratio. The crystallite size of the supported zeolites is varied between 0.4 and 0.9 microns, with both activity and selectivity being monitored. Catalytic conversions ranged between 4 to 16 wt% for MCH and between 8 to 27 wt% for decalin. Reaction pathways of cycloparaffins are determined, and these include ring-opening, protolytic cracking, isomerization, hydrogen transfer and transalkylation. The yields and selectivities of over 60 and 140 products, formed during MCH and decalin

Homogeneity Study of UO2 Pellet Density for Quality Control

International Nuclear Information System (INIS)

Moon, Je Seon; Park, Chang Je; Kang, Kwon Ho; Moon, Heung Soo; Song, Kee Chan

2005-01-01

A homogeneity study has been performed with various densities of UO 2 pellets as the work of a quality control. The densities of the UO 2 pellets are distributed randomly due to several factors such as the milling conditions and sintering environments, etc. After sintering, total fourteen bottles were chosen for UO 2 density and each bottle had three samples. With these bottles, the between-bottle and within-bottle homogeneity were investigated via the analysis of the variance (ANOVA). From the results of ANOVA, the calculated F-value is used to determine whether the distribution is accepted or rejected from the view of a homogeneity under a certain confidence level. All the homogeneity checks followed the International Standard Guide 35

A comparison of maximal bioenergetic enzyme activities obtained with commonly used homogenization techniques.

Science.gov (United States)

Grace, M; Fletcher, L; Powers, S K; Hughes, M; Coombes, J

1996-12-01

Homogenization of tissue for analysis of bioenergetic enzyme activities is a common practice in studies examining metabolic properties of skeletal muscle adaptation to disease, aging, inactivity or exercise. While numerous homogenization techniques are in use today, limited information exists concerning the efficacy of specific homogenization protocols. Therefore, the purpose of this study was to compare the efficacy of four commonly used approaches to homogenizing skeletal muscle for analysis of bioenergetic enzyme activity. The maximal enzyme activity (Vmax) of citrate synthase (CS) and lactate dehydrogenase (LDH) were measured from homogenous muscle samples (N = 48 per homogenization technique) and used as indicators to determine which protocol had the highest efficacy. The homogenization techniques were: (1) glass-on-glass pestle; (2) a combination of a mechanical blender and a teflon pestle (Potter-Elvehjem); (3) a combination of the mechanical blender and a biological detergent; and (4) the combined use of a mechanical blender and a sonicator. The glass-on-glass pestle homogenization protocol produced significantly higher (P pestle homogenization protocol is the technique of choice for studying bioenergetic enzyme activity in skeletal muscle.

Homogeneous Finsler Spaces

CERN Document Server

Deng, Shaoqiang

2012-01-01

"Homogeneous Finsler Spaces" is the first book to emphasize the relationship between Lie groups and Finsler geometry, and the first to show the validity in using Lie theory for the study of Finsler geometry problems. This book contains a series of new results obtained by the author and collaborators during the last decade. The topic of Finsler geometry has developed rapidly in recent years. One of the main reasons for its surge in development is its use in many scientific fields, such as general relativity, mathematical biology, and phycology (study of algae). This monograph introduc

Homogenization of tissues via picosecond-infrared laser (PIRL) ablation: Giving a closer view on the in-vivo composition of protein species as compared to mechanical homogenization.

Science.gov (United States)

Kwiatkowski, M; Wurlitzer, M; Krutilin, A; Kiani, P; Nimer, R; Omidi, M; Mannaa, A; Bussmann, T; Bartkowiak, K; Kruber, S; Uschold, S; Steffen, P; Lübberstedt, J; Küpker, N; Petersen, H; Knecht, R; Hansen, N O; Zarrine-Afsar, A; Robertson, W D; Miller, R J D; Schlüter, H

2016-02-16

Posttranslational modifications and proteolytic processing regulate almost all physiological processes. Dysregulation can potentially result in pathologic protein species causing diseases. Thus, tissue species proteomes of diseased individuals provide diagnostic information. Since the composition of tissue proteomes can rapidly change during tissue homogenization by the action of enzymes released from their compartments, disease specific protein species patterns can vanish. Recently, we described a novel, ultrafast and soft method for cold vaporization of tissue via desorption by impulsive vibrational excitation (DIVE) using a picosecond-infrared-laser (PIRL). Given that DIVE extraction may provide improved access to the original composition of protein species in tissues, we compared the proteome composition of tissue protein homogenates after DIVE homogenization with conventional homogenizations. A higher number of intact protein species was observed in DIVE homogenates. Due to the ultrafast transfer of proteins from tissues via gas phase into frozen condensates of the aerosols, intact protein species were exposed to a lesser extent to enzymatic degradation reactions compared with conventional protein extraction. In addition, total yield of the number of proteins is higher in DIVE homogenates, because they are very homogenous and contain almost no insoluble particles, allowing direct analysis with subsequent analytical methods without the necessity of centrifugation. Enzymatic protein modifications during tissue homogenization are responsible for changes of the in-vivo protein species composition. Cold vaporization of tissues by PIRL-DIVE is comparable with taking a snapshot at the time of the laser irradiation of the dynamic changes that occur continuously under in-vivo conditions. At that time point all biomolecules are transferred into an aerosol, which is immediately frozen. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

Catalytic copyrolysis of particle board and polypropylene over Al-MCM-48

Energy Technology Data Exchange (ETDEWEB)

Kim, Hannah; Choi, Suek Ju [School of Environmental Engineering, University of Seoul, Seoul 02504 (Korea, Republic of); Kim, Ji Man [Department of Chemistry, Sungkyunkwan University, Suwon 16419 (Korea, Republic of); Jeon, Jong-Ki [Department of Chemical Engineering, Kongju National University, Cheonan 31080 (Korea, Republic of); Park, Sung Hoon; Jung, Sang-Chul [Department of Environmental Engineering, Sunchon National University, Suncheon 57922 (Korea, Republic of); Kim, Sang Chai [Department of Environmental Education, Mokpo National University, Muan 58554 (Korea, Republic of); Park, Young-Kwon, E-mail: catalica@uos.ac.kr [School of Environmental Engineering, University of Seoul, Seoul 02504 (Korea, Republic of)

2016-10-15

Highlights: • Al-MCM-48 was used for catalytic copyrolysis of particle board and polypropylene. • Catalytic produced mainly hydrocarbons. • The hydrocarbons produced were mainly in the diesel range. - Abstract: Particle board and polypropylene (PP) at a mixing ratio of 1:1 were copyrolyzed over two Al-MCM-48 catalysts with Si/Al ratios of 20 and 80. The catalyst characteristics were examined by measuring the Brunauer-Emmett-Teller surface area, temperature programmed desorption of ammonia, and X-ray diffraction. The main pyrolysis products of particle board were oxygenates, acids, and phenolics, whereas a large quantity of hydrocarbons within the diesel fuel range was produced from copyrolysis with polypropylene. The catalytic copyrolysis of particle board and PP over the Al-MCM-48 catalysts produced bio-oil with a much larger hydrocarbon content than that from the catalytic pyrolysis of particle board only. The hydrocarbons produced were mainly in the diesel range, highlighting the potential for the production of high-quality fuel.

Aligned carbon nanotube with electro-catalytic activity for oxygen reduction reaction

Science.gov (United States)

Liu, Di-Jia; Yang, Junbing; Wang, Xiaoping

2010-08-03

A catalyst for an electro-chemical oxygen reduction reaction (ORR) of a bundle of longitudinally aligned carbon nanotubes having a catalytically active transition metal incorporated longitudinally in said nanotubes. A method of making an electro-chemical catalyst for an oxygen reduction reaction (ORR) having a bundle of longitudinally aligned carbon nanotubes with a catalytically active transition metal incorporated throughout the nanotubes, where a substrate is in a first reaction zone, and a combination selected from one or more of a hydrocarbon and an organometallic compound containing an catalytically active transition metal and a nitrogen containing compound and an inert gas and a reducing gas is introduced into the first reaction zone which is maintained at a first reaction temperature for a time sufficient to vaporize material therein. The vaporized material is then introduced to a second reaction zone maintained at a second reaction temperature for a time sufficient to grow longitudinally aligned carbon nanotubes over the substrate with a catalytically active transition metal incorporated throughout the nanotubes.

Formalization of hydrocarbon conversion scheme of catalytic cracking for mathematical model development

Science.gov (United States)

Nazarova, G.; Ivashkina, E.; Ivanchina, E.; Kiseleva, S.; Stebeneva, V.

2015-11-01

The issue of improving the energy and resource efficiency of advanced petroleum processing can be solved by the development of adequate mathematical model based on physical and chemical regularities of process reactions with a high predictive potential in the advanced petroleum refining. In this work, the development of formalized hydrocarbon conversion scheme of catalytic cracking was performed using thermodynamic parameters of reaction defined by the Density Functional Theory. The list of reaction was compiled according to the results of feedstock structural-group composition definition, which was done by the n-d-m-method, the Hazelvuda method, qualitative composition of feedstock defined by gas chromatography-mass spectrometry and individual composition of catalytic cracking gasoline fraction. Formalized hydrocarbon conversion scheme of catalytic cracking will become the basis for the development of the catalytic cracking kinetic model.

The Perron-Frobenius theorem for multi-homogeneous mappings

OpenAIRE

Gautier, Antoine; Tudisco, Francesco; Hein, Matthias

2018-01-01

The Perron-Frobenius theory for nonnegative matrices has been generalized to order-preserving homogeneous mappings on a cone and more recently to nonnegative multilinear forms. We unify both approaches by introducing the concept of order-preserving multi-homogeneous mappings, their associated nonlinear spectral problems and spectral radii. We show several Perron-Frobenius type results for these mappings addressing existence, uniqueness and maximality of nonnegative and positive eigenpairs. We...

Expanding the Scope of Hypervalent Iodine Reagents for Perfluoroalkylation: From Trifluoromethyl to Functionalized Perfluoroethyl

Czech Academy of Sciences Publication Activity Database

Matoušek, V.; Václavík, Jiří; Hájek, P.; Charpentier, J.; Blastik, Z.; Pietrasiak, E.; Budinská, A.; Togni, A.; Beier, P.

2016-01-01

Roč. 22, č. 1 (2016), s. 417-424 ISSN 0947-6539 Institutional support: RVO:61388971 Keywords : bioconjugation * fluorine * fluoroalkylation Subject RIV: EE - Microbiology, Virology Impact factor: 5.317, year: 2016

A catalytic distillation process for light gas oil hydrodesulfurization

Energy Technology Data Exchange (ETDEWEB)

Vargas-Villamil, F.D.; Marroquin, J.O.; Paz, C. de la; Rodriguez, E. [Prog. de Matematicas Aplicadas y Computacion, Prog. de Tratamiento de Crudo Maya, Instituto Mexicano del Petroleo, Mexico City, DF (Mexico)

2004-07-01

A light gas oil hydrodesulfurization process via catalytic distillation is developed and compared to a conventional process. By integrating the separation and reaction into a single unit, the catalytic distillation may produce a diesel with low concentration of sulfur compounds at a lower cost than the traditional reaction/separation process. The process proposed in this work is compared to an optimised conventional hydrodesulfurization unit which represents fairly well a plant that belongs to the National System of Refineries. During the optimisation of the conventional process, a compromise is established among the production of diesel and naphtha and the operating costs. The results show that the light gas oil hydrodesulfurization via catalytic distillation is as or more efficient than the conventional process. However, the removal of the sulfur compounds is carried out under less rigorous conditions. This design reduces the fix and operational costs. (author)

Electro-catalytic degradation of sulfisoxazole by using graphene anode.

Science.gov (United States)

Wang, Yanyan; Liu, Shuan; Li, Ruiping; Huang, Yingping; Chen, Chuncheng

2016-05-01

Graphite and graphene electrodes were prepared by using pure graphite as precursor. The electrode materials were characterized by a scanning electron microscope (SEM), X-ray diffraction (XRD) and cyclic voltammetry (CV) measurements. The electro-catalytic activity for degradation of sulfisoxazole (SIZ) was investigated by using prepared graphene or graphite anode. The results showed that the degradation of SIZ was much more rapid on the graphene than that on the graphite electrode. Moreover, the graphene electrode exhibited good stability and recyclability. The analysis on the intermediate products and the measurement of active species during the SIZ degradation demonstrated that indirect oxidation is the dominant mechanism, involving the electro-catalytic generation of OH and O2(-) as the main active oxygen species. This study implies that graphene is a promising potential electrode material for long-term application to electro-catalytic degradation of organic pollutants. Copyright © 2015. Published by Elsevier B.V.

Zeolite encapsulated Fe-porphyrin for catalytic oxidation with iodobenzene diacetate (PhI(OAc)2)

International Nuclear Information System (INIS)

Karimipour, G.; Rezaei, M.; Ashouri, D.

2013-01-01

meso-Tetrakis(3-pyridyl)porphyrin ato iron(III) chloride encapsulated on NaY Zeolite [Fe(T-3-PyP)-NaY] was synthesized as a heterogeneous ship-in-a-bottle type catalyst and characterized by Fourier transform infrared, atomic absorption, diffused reflectance UV-Vis, X-ray diffraction and scanning electron microscopy analysis. The catalytic activity of Fe(T-3-PyP-NaY was examined for the epoxidation of cyclohexene by PhI(OAc) 2 in CH 3 CN/H 2 O (5:1) and compared to that of Fe(T-3-PyP) as a homogeneous catalyst. We found that the heterogeneous catalyst Fe(T-3-PyP-NaY was stable and reusable for several times, and provided a mild condition and exhibited high activity and selectivity in the oxidation of alkenes to epoxides (16-94%). As representative examples for the use of Fe(T-3-PyP-NaY/ PhI(OAc) 2 in organic oxidations, oxidation of 4-nitro benzylalcohol to 4-nitrobenzaldehyde (97%), oxidative dehydrogenation of diethyl 4-(2,6-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate to the corresponding pyridine (100%), diphenylacetic acid to benzophenone (64%) was achieved. (Author)

Homogenization and structural topology optimization theory, practice and software

CERN Document Server

Hassani, Behrooz

1999-01-01

Structural topology optimization is a fast growing field that is finding numerous applications in automotive, aerospace and mechanical design processes. Homogenization is a mathematical theory with applications in several engineering problems that are governed by partial differential equations with rapidly oscillating coefficients Homogenization and Structural Topology Optimization brings the two concepts together and successfully bridges the previously overlooked gap between the mathematical theory and the practical implementation of the homogenization method. The book is presented in a unique self-teaching style that includes numerous illustrative examples, figures and detailed explanations of concepts. The text is divided into three parts which maintains the book's reader-friendly appeal.

Control rod homogenization in heterogeneous sodium-cooled fast reactors

International Nuclear Information System (INIS)

Andersson, Mikael

2016-01-01

The sodium-cooled fast reactor is one of the candidates for a sustainable nuclear reactor system. In particular, the French ASTRID project employs an axially heterogeneous design, proposed in the so-called CFV (low sodium effect) core, to enhance the inherent safety features of the reactor. This thesis focuses on the accurate modeling of the control rods, through the homogenization method. The control rods in a sodium-cooled fast reactor are used for reactivity compensation during the cycle, power shaping, and to shutdown the reactor. In previous control rod homogenization procedures, only a radial description of the geometry was implemented, hence the axially heterogeneous features of the CFV core could not be taken into account. This thesis investigates the different axial variations the control rod experiences in a CFV core, to determine the impact that these axial environments have on the control rod modeling. The methodology used in this work is based on previous homogenization procedures, the so-called equivalence procedure. The procedure was newly implemented in the PARIS code system in order to be able to use 3D geometries, and thereby be take axial effects into account. The thesis is divided into three parts. The first part investigates the impact of different neutron spectra on the homogeneous control-rod cross sections. The second part investigates the cases where the traditional radial control-rod homogenization procedure is no longer applicable in the CFV core, which was found to be 5-10 cm away from any material interface. In the third part, based on the results from the second part, a 3D model of the control rod is used to calculate homogenized control-rod cross sections. In a full core model, a study is made to investigate the impact these axial effects have on control rod-related core parameters, such as the control rod worth, the capture rates in the control rod, and the power in the adjacent fuel assemblies. All results were compared to a Monte

Testing Homogeneity with the Galaxy Fossil Record

CERN Document Server

Hoyle, Ben; Jimenez, Raul; Heavens, Alan; Clarkson, Chris; Maartens, Roy

2013-01-01

Observationally confirming spatial homogeneity on sufficiently large cosmological scales is of importance to test one of the underpinning assumptions of cosmology, and is also imperative for correctly interpreting dark energy. A challenging aspect of this is that homogeneity must be probed inside our past lightcone, while observations take place on the lightcone. The history of star formation rates (SFH) in the galaxy fossil record provides a novel way to do this. We calculate the SFH of stacked Luminous Red Galaxy (LRG) spectra obtained from the Sloan Digital Sky Survey. We divide the LRG sample into 12 equal area contiguous sky patches and 10 redshift slices (0.2homogeneity, we calculate the posterior distribution for the excess large-scale variance due to inhomogeneity, and find that the most likely solution is n...

Homogeneous Buchberger algorithms and Sullivant's computational commutative algebra challenge

DEFF Research Database (Denmark)

Lauritzen, Niels

2005-01-01

We give a variant of the homogeneous Buchberger algorithm for positively graded lattice ideals. Using this algorithm we solve the Sullivant computational commutative algebra challenge.......We give a variant of the homogeneous Buchberger algorithm for positively graded lattice ideals. Using this algorithm we solve the Sullivant computational commutative algebra challenge....

Homogenized description and retrieval method of nonlinear metasurfaces

Science.gov (United States)

Liu, Xiaojun; Larouche, Stéphane; Smith, David R.

2018-03-01

A patterned, plasmonic metasurface can strongly scatter incident light, functioning as an extremely low-profile lens, filter, reflector or other optical device. When the metasurface is patterned uniformly, its linear optical properties can be expressed using effective surface electric and magnetic polarizabilities obtained through a homogenization procedure. The homogenized description of a nonlinear metasurface, however, presents challenges both because of the inherent anisotropy of the medium as well as the much larger set of potential wave interactions available, making it challenging to assign effective nonlinear parameters to the otherwise inhomogeneous layer of metamaterial elements. Here we show that a homogenization procedure can be developed to describe nonlinear metasurfaces, which derive their nonlinear response from the enhanced local fields arising within the structured plasmonic elements. With the proposed homogenization procedure, we are able to assign effective nonlinear surface polarization densities to a nonlinear metasurface, and link these densities to the effective nonlinear surface susceptibilities and averaged macroscopic pumping fields across the metasurface. These effective nonlinear surface polarization densities are further linked to macroscopic nonlinear fields through the generalized sheet transition conditions (GSTCs). By inverting the GSTCs, the effective nonlinear surface susceptibilities of the metasurfaces can be solved for, leading to a generalized retrieval method for nonlinear metasurfaces. The application of the homogenization procedure and the GSTCs are demonstrated by retrieving the nonlinear susceptibilities of a SiO2 nonlinear slab. As an example, we investigate a nonlinear metasurface which presents nonlinear magnetoelectric coupling in near infrared regime. The method is expected to apply to any patterned metasurface whose thickness is much smaller than the wavelengths of operation, with inclusions of arbitrary geometry

Enhanced catalytic behavior of Ni alloys in steam methane reforming

Science.gov (United States)

Yoon, Yeongpil; Kim, Hanmi; Lee, Jaichan

2017-08-01

The dissociation process of methane on Ni and Ni alloys are investigated by density functional theory (DFT) in terms of catalytic efficiency and carbon deposition. Examining the dissociation to CH3, CH2, CH, C, and H is not sufficient to properly predict the catalytic efficiency and carbon deposition, and further investigation of the CO gas-evolving reaction is required to completely understand methane dissociation in steam. The location of alloying element in Ni alloy needed be addressed from the results of ab-inito molecular dynamics (MD). The reaction pathway of methane dissociation associated with CO gas evolution is traced by performing first-principles calculations of the adsorption and activation energies of each dissociation step. During the dissociation process, two alternative reaction steps producing adsorbed C and H or adsorbed CO are critically important in determining coking inhibition as well as H2 gas evolution (i.e., the catalytic efficiency). The theoretical calculations presented here suggest that alloying Ni with Ru is an effective way to reduce carbon deposition and enhance the catalytic efficiency of H2 fueling in solid oxide fuel cells (SOFCs).

Simulation and calculation of three-reactor system of catalytic reforming

International Nuclear Information System (INIS)

Rikalovska, Tatjana; Markovska, Liljana; Meshko, Vera; Poposka, Filimena

1999-01-01

The process of catalytic reforming has been operated for quite a long time, one can not always find real data for the kinetics and thermodynamics of the reactions that take place during the catalytic reforming process in order to facilitate the designing of reactor system or its simulation in a wide:ran e of process parameters. Kinetic and thermodynamic data have been collected for the reactions that take place during the catalytic reforming process. The stress has been pointed on four major reactions: dehydrogenation of naphthenes (aromatization), dehydrocyclization of paraffins and hydrocracking of naphthenes and paraffins. On the base of such a kinetic model, the reforming process has been described with a system of differential equations. For the purpose of solving these equations computer programs for simulation of a three-reactor system for adiabatic operation of the reactors. The computer simulation of the mathematical model of this three-reactor system has been accomplished by use of the ISIM-dynamic simulator. The results obtained out of the simulation agree very good with the data of the real process of catalytic reforming in OKTA Crude Oil Refinery in Skopje, Macedonia. (Author)

The catalytic cracking mechanism of lignite pyrolysis char on tar

International Nuclear Information System (INIS)

Lei, Z.; Huibin, H.; Xiangling, S.; Zhenhua, M.; Lei, Z.

2017-01-01

The influence of different pyrolysis conditions for tar catalytic cracking will be analyzed according to the lignite pyrolysis char as catalyst on pyrolytic tar in this paper. The pyrolysis char what is the by-product of the cracking of coal has an abundant of pore structure and it has good catalytic activity. On this basis, making the modified catalyst when the pyrolysis char is activation and loads Fe by impregnation method. The cracking mechanism of lignite pyrolytic tar is explored by applying gas chromatograph to analyze splitting products of tar. The experimental results showed that: (1) The effect of tar cracking as the pyrolysis temperature, the heating rate, the volatilization of pyrolysis char and particle size increasing is better and better. The effect of the catalytic and cracking of lignite pyrolysis char in tar is best when the heating rate, the pyrolysis temperature, the volatiles of pyrolysis char, particle size is in specific conditions.(2) The activation of pyrolysis char can improve the catalytic effect of pyrolysis char on the tar cracking. But it reduces the effect of the tar cracking when the pyrolysis char is activation loading Fe. (author)

Bubble Driven Quasioscillatory Translational Motion of Catalytic Micromotors

Science.gov (United States)

Manjare, Manoj; Yang, Bo; Zhao, Y.-P.

2012-09-01

A new quasioscillatory translational motion has been observed for big Janus catalytic micromotors with a fast CCD camera. Such motional behavior is found to coincide with both the bubble growth and burst processes resulting from the catalytic reaction, and the competition of the two processes generates a net forward motion. Detailed physical models have been proposed to describe the above processes. It is suggested that the bubble growth process imposes a growth force moving the micromotor forward, while the burst process induces an instantaneous local pressure depression pulling the micromotor backward. The theoretic predictions are consistent with the experimental data.

Catalytic Oxidation of Allylic Alcohols to Methyl Esters

DEFF Research Database (Denmark)

Gallas-Hulin, Agata; Kotni, Rama Krishna; Nielsen, Martin

2017-01-01

Aerobic oxidation of allylic alcohols to methyl esters using gold nanoparticles supported on different metal oxide carriers has been performed successfully under mild conditions (room temperature, 0.1 MPa O2) without significant loss of catalytic activity. The effects of different reaction...... parameters are studied to find the suitable reaction conditions. All catalysts are characterised by XRD, XRF and TEM. Among these catalysts, Au/TiO2 showed the most efficient catalytic activity towards the selective oxidation of allylic alcohols to the corresponding esters. Moreover, the same Au/TiO2...... to synthesize methyl esters from allylic alcohols....

Determination of organic bases in non-aqueous solvents by catalytic thermometric titration.

Science.gov (United States)

Vajgand, V J; Kiss, T A; Gaál, F F; Zsigrai, I J

1968-07-01

Catalytic thermometric titrations have been developed for bases (brucine, diethylaniline, potassium acetate and triethylamine) in acetic acid by continuous and discontinuous addition of the standard solution and automatic temperature recording. The determination of weak bases, e.g., antipyrine, unsuccessful in acetic acid by catalytic thermometric titration, has been achieved by using nitromethane or acetic anhydride as solvent. Catalytic thermometric titrations were also performed by coulometric generation of hydrogen ions for the determination of micro amounts of weak bases in a mixture of acetic anhyride and acetic acid.

Petroleum Refineries (Catalytic Cracking, Catalytic Reforming and Sulfur Recovery Units): National Emission Standards for Hazardous Air Pollutants (NESHAP)

Science.gov (United States)

learn more about the NESHAP for catalytic cracking and reforming units, as well as sulfur recovery units in petroleum refineries by reading the rule history, rule summary, background information documents, and compliance information

Numerical analysis for Darcy-Forchheimer flow in presence of homogeneous-heterogeneous reactions

Directory of Open Access Journals (Sweden)

Muhammad Ijaz Khan

Full Text Available A mathematical study is presented to investigate the influences of homogeneous and heterogeneous reactions in local similar flow caused by stretching sheet with a non-linear velocity and variable thickness. Porous medium effects are characterized by using Darcy-Forchheimer porous-media. A simple isothermal model of homogeneous-heterogeneous reactions is used. The multiphysical boundary value problem is dictated by ten thermophysical parameters: ratio of mass diffusion coefficients, Prandtl number, local inertia coefficient parameter, inverse Darcy number, shape parameter, surface thickness parameter, Hartman number, Homogeneous heat reaction, strength of homogeneous-heterogeneous reactions and Schmidt number. Resulting systems are computed by Runge-Kutta-Fehlberg method. Different shapes of velocity are noticed for n > 1 and n < 1. Keywords: Homogeneous-heterogeneous reactions, Non Darcy porous medium, Variable sheet thickness, Homogeneous heat reaction with stoichiometric coefficient, Runge-Kutta-Fehlberg method

Selenium utilization in thioredoxin and catalytic advantage provided by selenocysteine

International Nuclear Information System (INIS)

Kim, Moon-Jung; Lee, Byung Cheon; Hwang, Kwang Yeon; Gladyshev, Vadim N.; Kim, Hwa-Young

2015-01-01

Thioredoxin (Trx) is a major thiol-disulfide reductase that plays a role in many biological processes, including DNA replication and redox signaling. Although selenocysteine (Sec)-containing Trxs have been identified in certain bacteria, their enzymatic properties have not been characterized. In this study, we expressed a selenoprotein Trx from Treponema denticola, an oral spirochete, in Escherichia coli and characterized this selenoenzyme and its natural cysteine (Cys) homologue using E. coli Trx1 as a positive control. 75 Se metabolic labeling and mutation analyses showed that the SECIS (Sec insertion sequence) of T. denticola selenoprotein Trx is functional in the E. coli Sec insertion system with specific selenium incorporation into the Sec residue. The selenoprotein Trx exhibited approximately 10-fold higher catalytic activity than the Sec-to-Cys version and natural Cys homologue and E. coli Trx1, suggesting that Sec confers higher catalytic activity on this thiol-disulfide reductase. Kinetic analysis also showed that the selenoprotein Trx had a 30-fold higher K m than Cys-containing homologues, suggesting that this selenoenzyme is adapted to work efficiently with high concentrations of substrate. Collectively, the results of this study support the hypothesis that selenium utilization in oxidoreductase systems is primarily due to the catalytic advantage provided by the rare amino acid, Sec. - Highlights: • The first characterization of a selenoprotein Trx is presented. • The selenoenzyme Trx exhibits 10-fold higher catalytic activity than Cys homologues. • Se utilization in Trx is primarily due to the catalytic advantage provided by Sec residue

Selenium utilization in thioredoxin and catalytic advantage provided by selenocysteine

Energy Technology Data Exchange (ETDEWEB)

Kim, Moon-Jung [Department of Biochemistry and Molecular Biology, Yeungnam University College of Medicine, Daegu 705-717 (Korea, Republic of); Lee, Byung Cheon [Division of Genetics, Department of Medicine, Brigham and Women' s Hospital, Harvard Medical School, Boston, MA 02115 (United States); Division of Biotechnology, College of Life Sciences & Biotechnology, Korea University, Seoul 136-701 (Korea, Republic of); Hwang, Kwang Yeon [Division of Biotechnology, College of Life Sciences & Biotechnology, Korea University, Seoul 136-701 (Korea, Republic of); Gladyshev, Vadim N. [Division of Genetics, Department of Medicine, Brigham and Women' s Hospital, Harvard Medical School, Boston, MA 02115 (United States); Kim, Hwa-Young, E-mail: hykim@ynu.ac.kr [Department of Biochemistry and Molecular Biology, Yeungnam University College of Medicine, Daegu 705-717 (Korea, Republic of)

2015-06-12

Thioredoxin (Trx) is a major thiol-disulfide reductase that plays a role in many biological processes, including DNA replication and redox signaling. Although selenocysteine (Sec)-containing Trxs have been identified in certain bacteria, their enzymatic properties have not been characterized. In this study, we expressed a selenoprotein Trx from Treponema denticola, an oral spirochete, in Escherichia coli and characterized this selenoenzyme and its natural cysteine (Cys) homologue using E. coli Trx1 as a positive control. {sup 75}Se metabolic labeling and mutation analyses showed that the SECIS (Sec insertion sequence) of T. denticola selenoprotein Trx is functional in the E. coli Sec insertion system with specific selenium incorporation into the Sec residue. The selenoprotein Trx exhibited approximately 10-fold higher catalytic activity than the Sec-to-Cys version and natural Cys homologue and E. coli Trx1, suggesting that Sec confers higher catalytic activity on this thiol-disulfide reductase. Kinetic analysis also showed that the selenoprotein Trx had a 30-fold higher K{sub m} than Cys-containing homologues, suggesting that this selenoenzyme is adapted to work efficiently with high concentrations of substrate. Collectively, the results of this study support the hypothesis that selenium utilization in oxidoreductase systems is primarily due to the catalytic advantage provided by the rare amino acid, Sec. - Highlights: • The first characterization of a selenoprotein Trx is presented. • The selenoenzyme Trx exhibits 10-fold higher catalytic activity than Cys homologues. • Se utilization in Trx is primarily due to the catalytic advantage provided by Sec residue.

Development of a catalytically assisted combustor for a gas turbine

Energy Technology Data Exchange (ETDEWEB)

Ozawa, Yasushi; Fujii, Tomoharu; Sato, Mikio [Central Research Institute of Electric Power Industry, 2-6-1 Nagasaka, Yokosuka, Kanagawa 240-01 (Japan); Kanazawa, Takaaki; Inoue, Hitoshi [Kansai Electric Power Company, Inc., 3-11-20 Nakoji, Amagasaki, Hyoho 661 (Japan)

1999-01-01

A catalytically assisted low NO{sub x} combustor has been developed which has the advantage of catalyst durability. This combustor is composed of a burner section and a premixed combustion section behind the burner section. The burner system consists of six catalytic combustor segments and six premixing nozzles, which are arranged alternately and in parallel. Fuel flow rate for the catalysts and the premixing nozzles are controlled independently. The catalytic combustion temperature is maintained under 1000C, additional premixed gas is injected from the premixing nozzles into the catalytic combustion gas, and lean premixed combustion at 1300C is carried out in the premixed combustion section. This system was designed to avoid catalytic deactivation at high temperature and thermal or mechanical shock fracture of the honeycomb monolith. In order to maintain the catalyst temperature under 1000C, the combustion characteristics of catalysts at high pressure were investigated using a bench scale reactor and an improved catalyst was selected for the combustor test. A combustor for a 20MW class multi-can type gas turbine was designed and tested under high pressure conditions using LNG fuel. Measurements of NO{sub x}, CO and unburned hydrocarbon were made and other measurements were made to evaluate combustor performance under various combustion temperatures and pressures. As a result of the tests, it was proved that NO{sub x} emission was lower than 10ppm converted at 16% O{sub 2}, combustion efficiency was almost 100% at 1300C of combustor outlet temperature and 13.5ata of combustor inlet pressure

Synthesis and Catalytic Hydrogen Transfer Reaction of Ruthenium(II) Complex

Energy Technology Data Exchange (ETDEWEB)

Son, Jung Ik; Kim, Aram; Noh, Hui Bog; Lee, Hyun Ju; Shim, Yoon Bo; Park, Kang Hyun [Pusan National University, Busan (Korea, Republic of)

2012-01-15

The ruthenium(II) complex [Ru(bpy){sub 2}-(PhenTPy)] was synthesized, and used for the transfer hydrogenation of ketones and the desired products were obtained in good yield. Based on the presented results, transition-metal complexes can be used as catalysts for a wide range of organic transformations. The relationship between the electro-reduction current density and temperature are being examined in this laboratory. Attempts to improve the catalytic activity and determine the transfer hydrogenation mechanism are currently in progress. The catalytic hydrogenation of a ketone is a basic and critical process for making many types of alcohols used as the final products and precursors in the pharmaceutical, agrochemical, flavor, fragrance, materials, and fine chemicals industries. The catalytic hydrogenation process developed by Noyori is a very attractive process. Formic acid and 2-propanol have been used extensively as hydrogenation sources. The advantage of using 2-propanol as a hydrogen source is that the only side product will be acetone, which can be removed easily during the workup process. Hydrogen transfer (HT) catalysis, which generates alcohols through the reduction of ketones, is an attractive protocol that is used widely. Ruthenium(II) complexes are the most useful catalysts for the hydrogen transfer (HT) of ketones. In this method, a highly active catalytic system employs a transition metal as a catalyst to synthesize alcohols, and is a replacement for the hydrogen-using hydrogenation process. The most active system is based on Ru, Rh and Ir, which includes a nitrogen ligand that facilitates the formation of a catalytically active hydride and phosphorus.

Synthesis and Catalytic Hydrogen Transfer Reaction of Ruthenium(II) Complex

International Nuclear Information System (INIS)

Son, Jung Ik; Kim, Aram; Noh, Hui Bog; Lee, Hyun Ju; Shim, Yoon Bo; Park, Kang Hyun

2012-01-01

The ruthenium(II) complex [Ru(bpy) 2 -(PhenTPy)] was synthesized, and used for the transfer hydrogenation of ketones and the desired products were obtained in good yield. Based on the presented results, transition-metal complexes can be used as catalysts for a wide range of organic transformations. The relationship between the electro-reduction current density and temperature are being examined in this laboratory. Attempts to improve the catalytic activity and determine the transfer hydrogenation mechanism are currently in progress. The catalytic hydrogenation of a ketone is a basic and critical process for making many types of alcohols used as the final products and precursors in the pharmaceutical, agrochemical, flavor, fragrance, materials, and fine chemicals industries. The catalytic hydrogenation process developed by Noyori is a very attractive process. Formic acid and 2-propanol have been used extensively as hydrogenation sources. The advantage of using 2-propanol as a hydrogen source is that the only side product will be acetone, which can be removed easily during the workup process. Hydrogen transfer (HT) catalysis, which generates alcohols through the reduction of ketones, is an attractive protocol that is used widely. Ruthenium(II) complexes are the most useful catalysts for the hydrogen transfer (HT) of ketones. In this method, a highly active catalytic system employs a transition metal as a catalyst to synthesize alcohols, and is a replacement for the hydrogen-using hydrogenation process. The most active system is based on Ru, Rh and Ir, which includes a nitrogen ligand that facilitates the formation of a catalytically active hydride and phosphorus

Modulation of catalytic activity in multi-domain protein tyrosine phosphatases.

Directory of Open Access Journals (Sweden)

Lalima L Madan

Full Text Available Signaling mechanisms involving protein tyrosine phosphatases govern several cellular and developmental processes. These enzymes are regulated by several mechanisms which include variation in the catalytic turnover rate based on redox stimuli, subcellular localization or protein-protein interactions. In the case of Receptor Protein Tyrosine Phosphatases (RPTPs containing two PTP domains, phosphatase activity is localized in their membrane-proximal (D1 domains, while the membrane-distal (D2 domain is believed to play a modulatory role. Here we report our analysis of the influence of the D2 domain on the catalytic activity and substrate specificity of the D1 domain using two Drosophila melanogaster RPTPs as a model system. Biochemical studies reveal contrasting roles for the D2 domain of Drosophila Leukocyte antigen Related (DLAR and Protein Tyrosine Phosphatase on Drosophila chromosome band 99A (PTP99A. While D2 lowers the catalytic activity of the D1 domain in DLAR, the D2 domain of PTP99A leads to an increase in the catalytic activity of its D1 domain. Substrate specificity, on the other hand, is cumulative, whereby the individual specificities of the D1 and D2 domains contribute to the substrate specificity of these two-domain enzymes. Molecular dynamics simulations on structural models of DLAR and PTP99A reveal a conformational rationale for the experimental observations. These studies reveal that concerted structural changes mediate inter-domain communication resulting in either inhibitory or activating effects of the membrane distal PTP domain on the catalytic activity of the membrane proximal PTP domain.

Non-linear waves in heterogeneous elastic rods via homogenization

KAUST Repository

Quezada de Luna, Manuel

2012-03-01

We consider the propagation of a planar loop on a heterogeneous elastic rod with a periodic microstructure consisting of two alternating homogeneous regions with different material properties. The analysis is carried out using a second-order homogenization theory based on a multiple scale asymptotic expansion. © 2011 Elsevier Ltd. All rights reserved.

Effect of radioactive radiation on catalytic properties of solid materials

Energy Technology Data Exchange (ETDEWEB)

Sokol' skii, D V; Kuzembaev, K K; Kel' man, I V [AN Kazakhskoj SSR, Alma-Ata. Inst. Organicheskogo Kataliza i Ehlektrokhimii

1977-05-01

General survey is made of the problem of radiation modification of the action of solid catalysts with respect to the various types of heterogeneous catalytic reactions. Consideration is given to the key mechanisms responsible for radiation damage in the interaction of high-energy radiation with a solid body. The effect of ionizing radiation on the adsorption capacity and catalytic activity of solid bodies is discussed.

A new approach to inertise the containments during catalytic removal of hydrogen

International Nuclear Information System (INIS)

Chakraborty, A.K.; Markandeya, S.G.

1994-01-01

Use of catalytic recombiners for the removal of hydrogen during a severe accident has been recommended by the German Reactor Safety Commission (RSK) due to numerous successful demonstrations of their performances. At the early stages of the accident, a huge quantity of hydrogen is expected to be released in some compartments requiring supplementary measures to ensure that the excess hydrogen concentration wouldn't pose a threat of deflagration /1/. In this presentation a new idea based on catalytic removal of hydrogen with simultaneous passive inertisation of the atmosphere is proposed for large dry containments particularly for those compartments where high H 2 -concentrations are expected. During the catalytic oxidation of hydrogen, the large exothermic heat of reaction causes strong heating of the catalytic plates as well as a continuous energy input in the containment. This can be limited if this large heat energy is efficiently used for heating some chemical compounds to release inert gases such as steam and/or CO 2 by dissociation at moderate temperatures. Such compounds can be arranged in the form of thin slabs in good thermal contact with the catalytic plates. Several such compounds have been identified which are capable of releasing steam and CO 2 equivalent to about 40 - 75% of their mass. Preliminary calculations have been carded out to demonstrate the effectiveness of the proposed concept for the case of two such selected chemicals placed adjacent to the catalytic plate type recombiners. The calculations performed show promising results. (author)

Catalytic Decoupling of Quantum Information

DEFF Research Database (Denmark)

Majenz, Christian; Berta, Mario; Dupuis, Frédéric

2017-01-01

The decoupling technique is a fundamental tool in quantum information theory with applications ranging from quantum thermodynamics to quantum many body physics to the study of black hole radiation. In this work we introduce the notion of catalytic decoupling, that is, decoupling in the presence...... and quantum state merging, and leads to a resource theory of decoupling....

Toward a catalytic site in DNA

DEFF Research Database (Denmark)

Jakobsen, Ulla; Rohr, Katja; Vogel, Stefan

2007-01-01

A number of functionalized polyaza crown ether building blocks have been incorporated into DNA-conjugates as catalytic Cu(2+) binding sites. The effect of the DNA-conjugate catalyst on the stereochemical outcome of a Cu(2+)-catalyzed Diels-Alder reaction will be presented....

Computational Method for Atomistic-Continuum Homogenization

National Research Council Canada - National Science Library

Chung, Peter

2002-01-01

The homogenization method is used as a framework for developing a multiscale system of equations involving atoms at zero temperature at the small scale and continuum mechanics at the very large scale...

Statistical methods for assessment of blend homogeneity

DEFF Research Database (Denmark)

Madsen, Camilla

2002-01-01

In this thesis the use of various statistical methods to address some of the problems related to assessment of the homogeneity of powder blends in tablet production is discussed. It is not straight forward to assess the homogeneity of a powder blend. The reason is partly that in bulk materials......, it is shown how to set up parametric acceptance criteria for the batch that gives a high confidence that future samples with a probability larger than a specified value will pass the USP threeclass criteria. Properties and robustness of proposed changes to the USP test for content uniformity are investigated...

Effect of calcination temperature on the structure and performance of CeO{sub x}–MnO{sub x}/TiO{sub 2} nanoparticles for the catalytic combustion of chlorobenzene

Energy Technology Data Exchange (ETDEWEB)

He, Fei; Chen, Yong; Zhao, Pei; Liu, Shantang, E-mail: anliu123@hotmail.com [Wuhan Institute of Technology, Key Laboratory for Green Chemical Process of Ministry of Education, School of Chemistry and Environmental Engineering (China)

2016-05-15

In this study, MnO{sub x}/TiO{sub 2}, CeO{sub x}/TiO{sub 2}, and CeO{sub x}–MnO{sub x}/TiO{sub 2} catalysts were prepared by the homogeneous precipitation method. The effect of calcination temperature on the structure and catalytic performance of CeO{sub x}–MnO{sub x}/TiO{sub 2} mixed oxide catalyst in the catalytic combustion of chlorobenzene was investigated. The samples were characterized by X-ray diffraction, nitrogen adsorption–desorption, transmission electron microscopy, Raman spectra, hydrogen temperature-programmed reduction, and X-ray photoelectron spectroscopy. The results indicate that calcination significantly affect the activity of the prepared catalysts. When calcined at a low temperature such as 400 °C, Ce, and Mn species form a solid solution of MnCeO{sub x} in the catalyst, thus locating the O atoms in a perturbed chemical surrounding in the catalysts. This increases the mobility of the O atoms during the reaction, probably contributing to the highest catalytic activity of CeO{sub x}–MnO{sub x}/TiO{sub 2} among all the tested catalysts. However, a further increase in the calcination temperature decreased the performance of the catalyst for the catalytic combustion of chlorobenzene. This is probably because of a reduction in surface chemisorbed oxygen concentration, a decrease in the interface area between metal oxides and MnCeO{sub x} caused by the isolation of MnO{sub x} or CeO{sub 2} from MnCeO{sub x}, and a decrease in the specific surface area of CeO{sub x}–MnO{sub x}/TiO{sub 2} catalyst due to the sintering of catalyst.Graphical Abstract.

Effects of high-speed homogenization and high-pressure homogenization on structure of tomato residue fibers.

Science.gov (United States)

Hua, Xiao; Xu, Shanan; Wang, Mingming; Chen, Ying; Yang, Hui; Yang, Ruijin

2017-10-01

Tomato residue fibers obtained after derosination and deproteinization were processed by high-speed homogenization (HSH) and high-pressure homogenization (HPH), and their effects on fiber structure was investigated, respectively. Characterizations including particle size distribution, SEM, TEM and XRD were performed. HSH could break raw fibers to small particles of around 60μm, while HPH could reshape fibers to build network structure. Microfibrils were released and their nanostructure consisting of elementary fibrils was observed by TEM. XRD patterns indicated both HSH and HPH could hardly alter the nanostructure of the fibers. Physicochemical properties including expansibility, WHC and OHC were determined. Both HSH and HPH could increase the soluble fiber content by about 8%, but HSH-HPH combined processing did not show better result. Acid (4mol/L HCl) was used in replacement of water medium and the acidic degradation of fibers could be promoted by high speed shearing or high pressure processing. Copyright © 2017 Elsevier Ltd. All rights reserved.

Commensurability effects in holographic homogeneous lattices

International Nuclear Information System (INIS)

Andrade, Tomas; Krikun, Alexander

2016-01-01

An interesting application of the gauge/gravity duality to condensed matter physics is the description of a lattice via breaking translational invariance on the gravity side. By making use of global symmetries, it is possible to do so without scarifying homogeneity of the pertinent bulk solutions, which we thus term as “homogeneous holographic lattices.' Due to their technical simplicity, these configurations have received a great deal of attention in the last few years and have been shown to correctly describe momentum relaxation and hence (finite) DC conductivities. However, it is not clear whether they are able to capture other lattice effects which are of interest in condensed matter. In this paper we investigate this question focusing our attention on the phenomenon of commensurability, which arises when the lattice scale is tuned to be equal to (an integer multiple of) another momentum scale in the system. We do so by studying the formation of spatially modulated phases in various models of homogeneous holographic lattices. Our results indicate that the onset of the instability is controlled by the near horizon geometry, which for insulating solutions does carry information about the lattice. However, we observe no sharp connection between the characteristic momentum of the broken phase and the lattice pitch, which calls into question the applicability of these models to the physics of commensurability.

Some properties of spatially homogeneous spacetimes

International Nuclear Information System (INIS)

Coomer, G.C.

1979-01-01

This paper discusses two features of the universe which are influenced in a fundamental way by the spacetime geometry of the universe. The first is the growth of density fluctuations in the early stages of the evolution of the universe. The second is the propagation of electromagnetic radiation in the universe. A spatially homogeneous universe is assumed in both discussions. The gravitational instability theory of galaxy formation is investigated for a viscous fluid and for a charged, conducting fluid with a magnetic field added as a perturbation. It is found that the growth rate of density perturbations in both cases is lower than in the perfect fluid case. Spatially homogeneous but nonisotropic spacetimes are investigated next. Two perfect fluid solutions of Einstein's field equations are found which have spacelike hypersurfaces with Bianchi type II geometry. An expression for the spectrum of the cosmic microwave background radiation in a spatially homogeneous but nonisotropic universe is found. The expression is then used to determine the angular distribution of the intensity of the radiation in the simpler of the two solutions. When accepted values of the matter density and decoupling temperature are inserted into this solution, values for the age of the universe and the time of decoupling are obtained which agree reasonably well with the values of the standard model of the universe

Stochastic model of milk homogenization process using Markov's chain

Directory of Open Access Journals (Sweden)

A. A. Khvostov

2016-01-01

Full Text Available The process of development of a mathematical model of the process of homogenization of dairy products is considered in the work. The theory of Markov's chains was used in the development of the mathematical model, Markov's chain with discrete states and continuous parameter for which the homogenisation pressure is taken, being the basis for the model structure. Machine realization of the model is implemented in the medium of structural modeling MathWorks Simulink™. Identification of the model parameters was carried out by minimizing the standard deviation calculated from the experimental data for each fraction of dairy products fat phase. As the set of experimental data processing results of the micrographic images of fat globules of whole milk samples distribution which were subjected to homogenization at different pressures were used. Pattern Search method was used as optimization method with the Latin Hypercube search algorithm from Global Optimization Тoolbox library. The accuracy of calculations averaged over all fractions of 0.88% (the relative share of units, the maximum relative error was 3.7% with the homogenization pressure of 30 MPa, which may be due to the very abrupt change in properties from the original milk in the particle size distribution at the beginning of the homogenization process and the lack of experimental data at homogenization pressures of below the specified value. The mathematical model proposed allows to calculate the profile of volume and mass distribution of the fat phase (fat globules in the product, depending on the homogenization pressure and can be used in the laboratory and research of dairy products composition, as well as in the calculation, design and modeling of the process equipment of the dairy industry enterprises.

Investigation of polypyrrole/polyvinyl alcohol–titanium dioxide composite films for photo-catalytic applications

Energy Technology Data Exchange (ETDEWEB)

Cao, Shaoqiang; Zhang, Hongyang; Song, Yuanqing; Zhang, Jianling; Yang, Haigang; Jiang, Long, E-mail: jianglong@scu.edu.cn; Dan, Yi, E-mail: danyichenweiwei@163.com

2015-07-01

Graphical abstract: - Highlights: • The study provides an easy and convenient method to fabricate films, which will give guidance for the preparation of three-dimensional materials. • The PPy/PVA–TiO{sub 2} films can keep better photo-catalytic activities both under UV and visible light irradiation when compared with TiO{sub 2} film. • There exist electron transfers between PPy/PVA and TiO{sub 2}. - Abstract: Polypyrrole/polyvinyl alcohol–titanium dioxide (PPy/PVA–TiO{sub 2}) composite films used as photo-catalysts were fabricated by combining TiO{sub 2} sol with PPy/PVA solution in which PPy was synthesized by in situ polymerization of pyrrole (Py) in polyvinyl alcohol (PVA) matrix and loaded on glass. The prepared photo-catalysts were investigated by X-ray diffraction (XRD), ultraviolet–visible diffuse reflection spectroscopy (UV–vis DRS), scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectra and photoluminescence (PL). The results indicate that the composites have same crystal structure as the TiO{sub 2} and extend the optic absorption from UV region to visible light region. By detecting the variation ratio, detected by ultraviolet–vis spectroscopy, of model pollutant rhodamine B (RhB) solution in the presence of the composite films under both UV and visible light irradiation, the photo-catalytic performance of the composite films was investigated. The results show that the PPy/PVA–TiO{sub 2} composite films show better photo-catalytic properties than TiO{sub 2} film both under UV and visible light irradiation, and the photo-catalytic degradation of RhB follows the first-order kinetics. The effects of the composition of composite films and the concentration of RhB on the photo-catalytic performance, as well as the possible photo-catalytic mechanism, were also discussed. By photo-catalytic recycle experiments, the structure stability of the PPy/PVA–TiO{sub 2} composite film was investigated and the results show that

New Catalytic DNA Biosensors for Radionuclides and Metal ions

International Nuclear Information System (INIS)

Lu, Yi

2003-01-01

The goals of the project are to develop new catalytic DNA biosensors for simultaneous detection and quantification of bioavailable radionuclides and metal ions, and apply the sensors for on-site, real-time assessment of concentration, speciation and stability of the individual contaminants during and after bioremediation. A negative selection strategy was tested and validated. In vitro selection was shown to yield highly active and specific transition metal ion-dependent catalytic DNA/RNA. A fluorescence resonance energy transfer (FRET) study of in vitro selected DNA demonstrated that the trifluorophore labeled system is a simple and powerful tool in studying complex biomolecules structure and dynamics, and is capable of revealing new sophisticated structural changes. New fluorophore/quenchers in a single fluorosensor yielded improved signal to noise ratio in detection, identification and quantification of metal contaminants. Catalytic DNA fluorescent and colorimetric sensors were shown useful in sensing lead in lake water and in leaded paint. Project results were described in two papers and two patents, and won an international prize

Correction: Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric charges.

Science.gov (United States)

Martínez-Araya, Jorge Ignacio; Grand, André; Glossman-Mitnik, Daniel

2016-01-28

Correction for 'Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric charges' by Jorge Ignacio Martínez-Araya et al., Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/c5cp03822g.

Homogenization of compacted blends of Ni and Mo powders

International Nuclear Information System (INIS)

Lanam, R.D.; Yeh, F.C.H.; Rovsek, J.E.; Smith, D.W.; Heckel, R.W.

1975-01-01

The homogenization behavior of compacted blends of Ni and Mo powders was studied primarily as a function of temperature, mean compact composition, and Mo powder particle size. All compact compositions were in the Ni-rich terminal solid-solution range; temperatures were between 950 and 1200 0 C (in the region of the phase diagram where only the Mo--Ni intermediate phase forms); average Mo particle sizes ranged from 8.4 mu m to 48 mu m. Homogenization was characterized in terms of the rate of decrease of the amounts of the Mo-rich terminal solid-solution phase and the Mo--Ni intermediate phase. The experimental results were compared to predictions based upon the three-phase, concentric-sphere homogenization model. In general, agreement between experimental data and model predictions was fairly good for high-temperature treatments and for compact compositions which were not close to the solubility limit of Mo in Ni. Departures from the model are discussed in terms of surface diffusion contributions to homogenization and non-uniform mixing effects. (U.S.)

Suggestion for a homogenizer installation in LOFT small break two-phase measurement

International Nuclear Information System (INIS)

Rieger, G.

1981-07-01

The purpose of this task, which was performed as an Austrian inkind contribution for the INEL research program is a) the evaluation of literature concerning homogenizers to improve two phase flow measurements for the LOFT small break test series, b) design of a homogenizer and c) recommandation of the location of a homogenizer in the LOFT piping system. To optimize the location of the homogenizer LTSF-tests should be performed according to the suggestions in this paper. (author)

Effect of homogenization on the properties and microstructure of Mozzarella cheese from buffalo milk.

Science.gov (United States)

Abd El-Gawad, Mona A M; Ahmed, Nawal S; El-Abd, M M; Abd El-Rafee, S

2012-04-02

The name pasta filata refers to a unique plasticizing and texturing treatments of the fresh curd in hot water that imparts to the finished cheese its characteristic fibrous structure and melting properties. Mozzarella cheese made from standardized homogenized and non-homogenized buffalo milk with 3 and 1.5%fat. The effect of homogenization on rheological, microstructure and sensory evaluation was carried out. Fresh raw buffalo milk and starter cultures of Streptococcus thermophilus and Lactobacillus delbrueckii ssp. bulgaricus were used. The coagulants were calf rennet powder (HA-LA). Standardized buffalo milk was homogenized at 25 kg/cm2 pressure after heating to 60°C using homogenizer. Milk and cheese were analysed. Microstructure of the cheese samples was investigated either with an application of transmission or scanning electron microscope. Statistical analyses were applied on the obtained data. Soluble nitrogen total volatile free fatty acids, soluble tyrosine and tryptophan increased with using homogenized milk and also, increased with relatively decrease in case of homogenized Mozzarella cheese. Meltability of Mozzarella cheese increased with increasing the fat content and storage period and decrease with homogenization. Mozzarella cheese firmness increased with homogenization and also, increased with progressing of storage period. Flavour score, appearance and total score of Mozzarella cheese increased with homogenization and storage period progress, while body and texture score decreased with homogenization and increased with storage period progress. Microstructure of Mozzarella cheese showed the low fat cheese tends to be harder, more crumbly and less smooth than normal. Curd granule junctions were prominent in non-homogenized milk cheese. Homogenization of milk cheese caused changes in the microstructure of the Mozzarella cheese. Microstructure studies of cheese revealed that cheese made from homogenized milk is smoother and has a finer texture than

Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric charges.

Science.gov (United States)

Ignacio Martínez-Araya, Jorge; Grand, André; Glossman-Mitnik, Daniel

2015-11-28

By means of the Spin-Polarized Conceptual Density Functional Theory (SP-CDFT), three 2,6-bis(imino)pyridine catalysts based on iron(II), used for polymerization of ethylene, were studied. The catalysts differed by the substituent group, bearing either -H, -NO2 or -OCH3. To date, catalytic activity, a purely experimental parameter measuring the mass of polyethylene produced per millimole of iron per time and pressure unit at a fixed temperature, has not been explained in terms of local hyper-softness. The latter is a purely theoretical parameter designed for quantifying electronic effects; it is measured using the metal atom responsible for the coordination process with the monomer (ethylene). Because steric effects are not relevant in these kinds of catalysts and only electronic effects drive the catalytic process, an interesting link is found between catalytic activity and the local hyper-softness condensed on the iron atom by means of four functionals (B3LYP, BP86, B97D, and VSXC). This work demonstrates that the use of local hyper-softness, predicted by the SP-CDFT, is a suitable parameter for explaining order relationships among catalytic activity values, thus quantifying the electronic influence of the substituent group inducing this difference; the use of only net electric charges does not lead to clear conclusions. This finding can aid in estimating catalytic activities leading to a more rational design of new catalysts via computational chemistry.

MEMS-based fuel cells with integrated catalytic fuel processor and method thereof

Science.gov (United States)

Jankowski, Alan F [Livermore, CA; Morse, Jeffrey D [Martinez, CA; Upadhye, Ravindra S [Pleasanton, CA; Havstad, Mark A [Davis, CA

2011-08-09

Described herein is a means to incorporate catalytic materials into the fuel flow field structures of MEMS-based fuel cells, which enable catalytic reforming of a hydrocarbon based fuel, such as methane, methanol, or butane. Methods of fabrication are also disclosed.

Fabrication and characterization of uranium-6--niobium alloy plate with improved homogeneity

International Nuclear Information System (INIS)

Snyder, W.B.

1978-01-01

Chemical inhomogeneities produced during arc melting of uranium--6 weight percent niobium alloy normally persist during fabrication of the ingot to a finished product. An investigation was directed toward producing a more homogeneous product (approx. 13.0-mm plate) by a combination of mechanical working and homogenization. Ingots were cast, forged to various reductions, homogenized under different conditions, and finally rolled to 13.0-mm-thick plate. It was concluded that increased forging reductions prior to homogenization resulted in a more homogeneous plate. Comparison of calculated and experimentally measured niobium concentration profiles indicated that the activation energy for the diffusion of niobium in uranium--niobium alloys may be lower than previously observed

Superfluid transition of homogeneous and trapped two-dimensional Bose gases.

Science.gov (United States)

Holzmann, Markus; Baym, Gordon; Blaizot, Jean-Paul; Laloë, Franck

2007-01-30

Current experiments on atomic gases in highly anisotropic traps present the opportunity to study in detail the low temperature phases of two-dimensional inhomogeneous systems. Although, in an ideal gas, the trapping potential favors Bose-Einstein condensation at finite temperature, interactions tend to destabilize the condensate, leading to a superfluid Kosterlitz-Thouless-Berezinskii phase with a finite superfluid mass density but no long-range order, as in homogeneous fluids. The transition in homogeneous systems is conveniently described in terms of dissociation of topological defects (vortex-antivortex pairs). However, trapped two-dimensional gases are more directly approached by generalizing the microscopic theory of the homogeneous gas. In this paper, we first derive, via a diagrammatic expansion, the scaling structure near the phase transition in a homogeneous system, and then study the effects of a trapping potential in the local density approximation. We find that a weakly interacting trapped gas undergoes a Kosterlitz-Thouless-Berezinskii transition from the normal state at a temperature slightly below the Bose-Einstein transition temperature of the ideal gas. The characteristic finite superfluid mass density of a homogeneous system just below the transition becomes strongly suppressed in a trapped gas.

A metalloenzyme-like catalytic system for the chemoselective oxidative cross-coupling of primary amines to imines under ambient conditions.

Science.gov (United States)

Largeron, Martine; Fleury, Maurice-Bernard

2015-02-23

The direct oxidative cross-coupling of primary amines is a challenging transformation as homocoupling is usually preferred. We report herein the chemoselective preparation of cross-coupled imines through the synergistic combination of low loadings of Cu(II) metal-catalyst and o-iminoquinone organocatalyst under ambient conditions. This homogeneous cooperative catalytic system has been inspired by the reaction of copper amine oxidases, a family of metalloenzymes with quinone organic cofactors that mediate the selective oxidation of primary amines to aldehydes. After optimization, the desired cross-coupled imines are obtained in high yields with broad substrate scope through a transamination process that leads to the homocoupled imine intermediate, followed by dynamic transimination. The ability to carry out the reactions at room temperature and with ambient air, rather than molecular oxygen as the oxidant, and equimolar amounts of each coupling partner is particularly attractive from an environmentally viewpoint. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Homogeneous Interior-Point Algorithm: Nonsymmetric Cones, Warmstarting, and Applications

DEFF Research Database (Denmark)

Skajaa, Anders

algorithms for these problems is still limited. The goal of this thesis is to investigate and shed light on two computational aspects of homogeneous interior-point algorithms for convex conic optimization: The first part studies the possibility of devising a homogeneous interior-point method aimed at solving...... problems involving constraints that require nonsymmetric cones in their formulation. The second part studies the possibility of warmstarting the homogeneous interior-point algorithm for conic problems. The main outcome of the first part is the introduction of a completely new homogeneous interior......-point algorithm designed to solve nonsymmetric convex conic optimization problems. The algorithm is presented in detail and then analyzed. We prove its convergence and complexity. From a theoretical viewpoint, it is fully competitive with other algorithms and from a practical viewpoint, we show that it holds lots...

Immobilised Homogeneous Catalysts for Sequential Fine Chemical Synthesis : Functionalised Organometallics for Nanotechnology

NARCIS (Netherlands)

McDonald, A.R.

2008-01-01

The work described in this thesis has demonstrated the application of heterogenised homogeneous catalysts. We have shown that by coupling a homogeneous catalyst to a heterogeneous support we could combine the benefits of two major fields of catalysis: retain the high selectivity of homogeneous

Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design.

Science.gov (United States)

Bjelic, Sinisa; Kipnis, Yakov; Wang, Ling; Pianowski, Zbigniew; Vorobiev, Sergey; Su, Min; Seetharaman, Jayaraman; Xiao, Rong; Kornhaber, Gregory; Hunt, John F; Tong, Liang; Hilvert, Donald; Baker, David

2014-01-09

Designed retroaldolases have utilized a nucleophilic lysine to promote carbon-carbon bond cleavage of β-hydroxy-ketones via a covalent Schiff base intermediate. Previous computational designs have incorporated a water molecule to facilitate formation and breakdown of the carbinolamine intermediate to give the Schiff base and to function as a general acid/base. Here we investigate an alternative active-site design in which the catalytic water molecule was replaced by the side chain of a glutamic acid. Five out of seven designs expressed solubly and exhibited catalytic efficiencies similar to previously designed retroaldolases for the conversion of 4-hydroxy-4-(6-methoxy-2-naphthyl)-2-butanone to 6-methoxy-2-naphthaldehyde and acetone. After one round of site-directed saturation mutagenesis, improved variants of the two best designs, RA114 and RA117, exhibited among the highest kcat (>10(-3)s(-1)) and kcat/KM (11-25M(-1)s(-1)) values observed for retroaldolase designs prior to comprehensive directed evolution. In both cases, the >10(5)-fold rate accelerations that were achieved are within 1-3 orders of magnitude of the rate enhancements reported for the best catalysts for related reactions, including catalytic antibodies (kcat/kuncat=10(6) to 10(8)) and an extensively evolved computational design (kcat/kuncat>10(7)). The catalytic sites, revealed by X-ray structures of optimized versions of the two active designs, are in close agreement with the design models except for the catalytic lysine in RA114. We further improved the variants by computational remodeling of the loops and yeast display selection for reactivity of the catalytic lysine with a diketone probe, obtaining an additional order of magnitude enhancement in activity with both approaches. © 2013.

Applications of high and ultra high pressure homogenization for food safety

Directory of Open Access Journals (Sweden)

Francesca Patrignani

2016-08-01

Full Text Available Traditionally, the shelf-life and safety of foods have been achieved by thermal processing. Low temperature long time (LTLT and high temperature short time (HTST treatments are the most commonly used hurdles for the pasteurization of fluid foods and raw materials. However, the thermal treatments can reduce the product quality and freshness. Consequently, some non-thermal pasteurization process have been proposed during the last decades, including high hydrostatic pressure (HHP, pulsed electric field (PEF, ultrasound (US and high pressure homogenization (HPH. This last technique has been demonstrated to have a great potential to provide fresh-like products with prolonged shelf-life. Moreover, the recent developments in high-pressure-homogenization technology and the design of new homogenization valves able to withstand pressures up to 350-400 MPa have opened new opportunities to homogenization processing in the food industries and, consequently, permitted the development of new products differentiated from traditional ones by sensory and structural characteristics or functional properties. For this, this review deals with the principal mechanisms of action of high pressure homogenization against microorganisms of food concern in relation to the adopted homogenizer and process parameters. In addition, the effects of homogenization on foodborne pathogenic species inactivation in relation to the food matrix and food chemico-physical and process variables will be reviewed. Also the combined use of this alternative technology with other non-thermal technologies will be considered

Studies of Catalytic Properties of Inorganic Rock Matrices in Redox Reactions

Directory of Open Access Journals (Sweden)

Nikolay M. Dobrynkin

2017-09-01

Full Text Available Intrinsic catalytic properties of mineral matrices of various kinds (basalts, clays, sandstones were studied, which are of interest for in-situ heavy oil upgrading (i.e., underground to create advanced technologies for enhanced oil recovery. The elemental, surface and phase composition and matrix particle morphology, surface and acidic properties were studied using elemental analysis, X-ray diffraction, adsorption and desorption of nitrogen and ammonia. The data on the catalytic activity of inorganic matrices in ammonium nitrate decomposition (reaction with a large gassing, oxidation of hydrocarbons and carbon monoxide, and hydrocracking of asphaltenes into maltenes (the conversion of heavy hydrocarbons into more valuable light hydrocarbons were discussed. In order to check their applicability for the asphaltenes hydrocracking catalytic systems development, basalt and clay matrices were used as supports for iron/basalt, nickel/basalt and iron/clay catalysts. The catalytic activity of the matrices in the reactions of the decomposition of ammonium nitrate, oxidation of hydrocarbons and carbon monoxide, and hydrocracking of asphaltens was observed for the first time.

Investigation on CO catalytic oxidation reaction kinetics of faceted perovskite nanostructures loaded with Pt

KAUST Repository

Yin, S. M.

2017-01-18

Perovskite lead titanate nanostructures with specific {111}, {100} and {001} facets exposed, have been employed as supports to investigate the crystal facet effect on the growth and CO catalytic activity of Pt nanoparticles. The size, distribution and surface chemical states of Pt on the perovskite supports have been significantly modified, leading to a tailored conversion temperature and catalytic kinetics towards CO catalytic oxidation.

Investigation on CO catalytic oxidation reaction kinetics of faceted perovskite nanostructures loaded with Pt

KAUST Repository

Yin, S. M.; Duanmu, J. J.; Zhu, Yihan; Yuan, Y. F.; Guo, S. Y.; Yang, J. L.; Ren, Z. H.; Han, G. R.

2017-01-01

Perovskite lead titanate nanostructures with specific {111}, {100} and {001} facets exposed, have been employed as supports to investigate the crystal facet effect on the growth and CO catalytic activity of Pt nanoparticles. The size, distribution and surface chemical states of Pt on the perovskite supports have been significantly modified, leading to a tailored conversion temperature and catalytic kinetics towards CO catalytic oxidation.

Liquid-phase chemical hydrogen storage: catalytic hydrogen generation under ambient conditions.

Science.gov (United States)

Jiang, Hai-Long; Singh, Sanjay Kumar; Yan, Jun-Min; Zhang, Xin-Bo; Xu, Qiang

2010-05-25

There is a demand for a sufficient and sustainable energy supply. Hence, the search for applicable hydrogen storage materials is extremely important owing to the diversified merits of hydrogen energy. Lithium and sodium borohydride, ammonia borane, hydrazine, and formic acid have been extensively investigated as promising hydrogen storage materials based on their relatively high hydrogen content. Significant advances, such as hydrogen generation temperatures and reaction kinetics, have been made in the catalytic hydrolysis of aqueous lithium and sodium borohydride and ammonia borane as well as in the catalytic decomposition of hydrous hydrazine and formic acid. In this Minireview we briefly survey the research progresses in catalytic hydrogen generation from these liquid-phase chemical hydrogen storage materials.

Procedure for the preparation of catalysts for application in catalytic gas phase reactions

International Nuclear Information System (INIS)

1976-01-01

The invention describes the preparation of catalysts to be used in catalytic reactions in the gaseous phase. The catalytic material is disposed at the surface of a ceramic or carbon substrate (av. particle size 0.1 μ - 0.5 cm, surface area smaller than 20 m 2 /g) by bombardment of the catalytic material (Pt, Rh, Pd, Ru, Os, Ir) with energetic ions (Ne, Ar, Kr, Xe) in the vicinity of the substrate in medium vacuum

A kinetic study on non-catalytic reactions in hydroprocessing Boscan crude oil

Energy Technology Data Exchange (ETDEWEB)

A. Marafi; E. Kam; A. Stanislaus [Kuwait Institute for Scientific Research, Safat (Kuwait). Petroleum Refining Department, Petroleum Research and Studies Center

2008-08-15

Non-catalytic hydrothermal cracking reactions are known to associate with catalytic hydrocracking reactions. In a recent study on hydroprocessing of Boscan crude over a specific catalyst system containing three distinct catalysts, it was found that hydrodesulfurization (HDS) and hydrodemetallation (HDM) reactions continued even when the catalyst is severely deactivated. Since the reactor was packed with considerable amount of inert material besides the three catalysts, it will be advantage to determine if the inert materials can also facilitate hydroprocessing reactions. A series of kinetic experiments for the inert particles was undertaken under different space velocity and temperature conditions. The extent of catalytic and non-catalytic hydroprocessing reactions was assessed. Through statistical analysis, the initial reaction rate constant, reaction order and activation energy for various hydroprocessing reactions were then determined. The absolute average deviations (AAD) of the kinetics values obtained for inert materials are less than 10%. 25 refs., 7 figs., 4 tabs.

Cyanide Containing Wastewater Treatment by Ozone Enhanced Catalytic Oxidation over Diatomite Catalysts

Directory of Open Access Journals (Sweden)

Lin Mingguo

2018-01-01

Full Text Available Cyanide containing wastewater that discharged from gold mining process creates environmental problems due to the toxicity of cyanide. As one of the promising advanced oxidation process, catalytic oxidation with ozone is considered to be effective on the purification of cyanide. Diatomite, a natural mineral, was used as catalyst in this study. The effect of O3 dosage, salinity, initial cyanide concentration and initial pH condition were investigated. It was observed that the removal rate of cyanide was much higher in the catalytic oxidation with ozone process than the one in zone alone process. Alkaline condition was especially favorable for cyanide in catalytic oxidation with ozone. The ozone and catalytic oxidation with ozone were simulated by pseudo-first-order kinetics model. The apparent first-order rate constant contribution of the diatomite catalyst was 0.0757 min-1, and the contribution percentage was 65.77%.

Structural/surface characterization and catalytic evaluation of rare-earth (Y, Sm and La) doped ceria composite oxides for CH{sub 3}SH catalytic decomposition

Energy Technology Data Exchange (ETDEWEB)

He, Dedong; Chen, Dingkai; Hao, Husheng; Yu, Jie; Liu, Jiangping; Lu, Jichang; Liu, Feng [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500 (China); Wan, Gengping [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500 (China); Research Center for Analysis and Measurement, Hainan University, Haikou, 570228 (China); He, Sufang [Research Center for Analysis and Measurement, Kunming University of Science and Technology, Kunming, 650093 (China); Luo, Yongming, E-mail: environcatalysis222@yahoo.com [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming, 650500 (China)

2016-12-30

Highlights: • Ce{sub 0.75}RE{sub 0.25}O{sub 2-δ} (RE = Y, Sm and La) were synthesized by citrate complexation method. • Ce{sub 0.75}Y{sub 0.25}O{sub 2-δ} exhibited the best stability for the decomposition of CH{sub 3}SH. • Cation radius played a key role in determining structure and surface characteristics. • Catalytic behavior depended on synergistic role of oxygen vacancies and basic sites. • Ce{sub 2}S{sub 3} accumulation on the surface was responsible for the deactivation of catalyst. - Abstract: A series of rare earth (Y, Sm and La) doped ceria composite oxides and pure CeO{sub 2} were synthesized and evaluated by conducting CH{sub 3}SH catalytic decomposition test. Several characterization studies, including XRD, BET, Raman, H{sub 2}-TPR, XPS, FT-IR, CO{sub 2}-TPD and CH{sub 3}SH-TPD, were undertaken to correlate structural and surface properties of the obtained ceria-based catalysts with their catalytic performance for CH{sub 3}SH decomposition. More oxygen vacancies and increased basic sites exhibited in the rare earth doped ceria catalysts. Y doped ceria sample (Ce{sub 0.75}Y{sub 0.25}O{sub 2-δ}), with a moderate increase in basic sites, contained more oxygen vacancies. More structural defects and active sites could be provided, and a relatively small amount of sulfur would accumulate, which resulted in better catalytic performance. The developed catalyst presented good catalytic behavior with stability very similar to that of typical zeolite-based catalysts reported previously. However, La doped ceria catalyst (Ce{sub 0.75}La{sub 0.25}O{sub 2-δ}) with the highest alkalinity was not the most active one. More sulfur species would be adsorbed and a large amount of cerium sulfide species (Ce{sub 2}S{sub 3}) would accumulate, which caused deactivation of the catalysts. The combined effect of increased oxygen vacancies and alkalinity led to the catalytic stability of Ce{sub 0.75}Sm{sub 0.25}O{sub 2-δ} sample was comparable to that of pure Ce

Catalytic combustion of gasified waste - Experimental part. Final report

Energy Technology Data Exchange (ETDEWEB)

Jaeraas, Sven; Kusar, Henrik [Royal Institute of Technology, Stockholm (Sweden). Chemical Engineering and Technology

2003-08-01

This final report covers the work that has been performed within the project P 10547-2, 'Catalytic combustion of gasified waste - system analysis ORWARE'. This project is part of the research programme 'Energy from Waste' financed by the Swedish National Energy Administration. The project has been carried out at the division of Industrial Ecology and at the division of Chemical Technology at Royal Inst. of Technology. The aim of the project has been to study the potentials for catalytic combustion of gasified waste. The supposed end user of the technique is a smaller community in Sweden with 15,000-20,000 inhabitants. The project contains of two sub projects: an experimental part carried out at Chemical Technology and a system analysis carried out at Industrial Ecology. This report covers the experimental part of the project carried out at Chemical Technology. The aim for the experimental part has been to develop and test catalysts with long life-time and a high performance, to reduce the thermal-NO{sub x} below 5 ppm and to significantly reduce NO{sub x} formed from fuel-bound nitrogen. Different experimental studies have been carried out within the project: a set-up of catalytic materials have been tested over a synthetic mixture of the gasified waste, the influence of sulfur present in the gas stream, NO{sub x} formation from fuel bound nitrogen, kinetic studies of CO and H{sub 2} with and without the presence of water and the effects of adding a co-metal to palladium catalysts Furthermore a novel annular reactor design has been used to carry out experiments for kinetic measurements. Real gasification tests of waste pellets directly coupled to catalytic combustion have successfully been performed. The results obtained from the experiments, both the catalytic combustion and from the gasification, have been possible to use in the system analysis. The aim of the system analysis of catalytic combustion of gasified waste takes into consideration

Catalytic properties of niobium compounds

International Nuclear Information System (INIS)

Tanabe, K.; Iizuka, T.

1983-04-01

The catalytic activity and selectivity of niobium compounds including oxides, salts, organometallic compounds and others are outlined. The application of these compounds as catalysts to diversified reactions is reported. The nature and action of niobium catalysts are characteristic and sometimes anomalous, suggesting the necessity of basic research and the potential use as catalysts for important processes in the chemical industry. (Author) [pt

Efficient fully controlled up-to-date equipment for catalytic treatment of waste gases

International Nuclear Information System (INIS)

Dvorak, Radek; Stulir, Roman; Cagas, Pavel

2007-01-01

This paper describes research and development of a new unit for catalytic destruction of waste gases polluted mainly by volatile organic compounds (VOC), halogenated organic compounds (HOC) or carbon monoxide. Novel equipment has considerable advantages compared with commonly used arrangement (combustion chamber (catalytic reactor)-pipeline-heat exchanger). It is very compact and light and has the combustion chamber, catalytic reactor and heat exchanger integrated into one unit. Maximum utilizing heat losses in the combustion chamber and catalytic reactor is achieved. During the development of this unit experience from tests of previously developed equipment used for thermal treatment of waste gases was used, as well as from experimental studies of catalytic disposal of various VOC carried out in the newly built experimental unit. During the development calculation methods were created allowing design modifications of this unit for real industrial applications. The newly developed unit can be used in various branches of industry such as paint shops, refining plants, sewage treatment plants, food processing industry, pharmaceutical industry, but also in companies processing and transporting crude-oil or natural gas, etc

Homogeneous Biosensing Based on Magnetic Particle Labels

KAUST Repository

Schrittwieser, Stefan

2016-06-06

The growing availability of biomarker panels for molecular diagnostics is leading to an increasing need for fast and sensitive biosensing technologies that are applicable to point-of-care testing. In that regard, homogeneous measurement principles are especially relevant as they usually do not require extensive sample preparation procedures, thus reducing the total analysis time and maximizing ease-of-use. In this review, we focus on homogeneous biosensors for the in vitro detection of biomarkers. Within this broad range of biosensors, we concentrate on methods that apply magnetic particle labels. The advantage of such methods lies in the added possibility to manipulate the particle labels by applied magnetic fields, which can be exploited, for example, to decrease incubation times or to enhance the signal-to-noise-ratio of the measurement signal by applying frequency-selective detection. In our review, we discriminate the corresponding methods based on the nature of the acquired measurement signal, which can either be based on magnetic or optical detection. The underlying measurement principles of the different techniques are discussed, and biosensing examples for all techniques are reported, thereby demonstrating the broad applicability of homogeneous in vitro biosensing based on magnetic particle label actuation.

Homogeneous Biosensing Based on Magnetic Particle Labels

Science.gov (United States)

Schrittwieser, Stefan; Pelaz, Beatriz; Parak, Wolfgang J.; Lentijo-Mozo, Sergio; Soulantica, Katerina; Dieckhoff, Jan; Ludwig, Frank; Guenther, Annegret; Tschöpe, Andreas; Schotter, Joerg

2016-01-01

The growing availability of biomarker panels for molecular diagnostics is leading to an increasing need for fast and sensitive biosensing technologies that are applicable to point-of-care testing. In that regard, homogeneous measurement principles are especially relevant as they usually do not require extensive sample preparation procedures, thus reducing the total analysis time and maximizing ease-of-use. In this review, we focus on homogeneous biosensors for the in vitro detection of biomarkers. Within this broad range of biosensors, we concentrate on methods that apply magnetic particle labels. The advantage of such methods lies in the added possibility to manipulate the particle labels by applied magnetic fields, which can be exploited, for example, to decrease incubation times or to enhance the signal-to-noise-ratio of the measurement signal by applying frequency-selective detection. In our review, we discriminate the corresponding methods based on the nature of the acquired measurement signal, which can either be based on magnetic or optical detection. The underlying measurement principles of the different techniques are discussed, and biosensing examples for all techniques are reported, thereby demonstrating the broad applicability of homogeneous in vitro biosensing based on magnetic particle label actuation. PMID:27275824

Homogeneous Biosensing Based on Magnetic Particle Labels

KAUST Repository

Schrittwieser, Stefan; Pelaz, Beatriz; Parak, Wolfgang; Lentijo Mozo, Sergio; Soulantica, Katerina; Dieckhoff, Jan; Ludwig, Frank; Guenther, Annegret; Tschö pe, Andreas; Schotter, Joerg

2016-01-01

The growing availability of biomarker panels for molecular diagnostics is leading to an increasing need for fast and sensitive biosensing technologies that are applicable to point-of-care testing. In that regard, homogeneous measurement principles are especially relevant as they usually do not require extensive sample preparation procedures, thus reducing the total analysis time and maximizing ease-of-use. In this review, we focus on homogeneous biosensors for the in vitro detection of biomarkers. Within this broad range of biosensors, we concentrate on methods that apply magnetic particle labels. The advantage of such methods lies in the added possibility to manipulate the particle labels by applied magnetic fields, which can be exploited, for example, to decrease incubation times or to enhance the signal-to-noise-ratio of the measurement signal by applying frequency-selective detection. In our review, we discriminate the corresponding methods based on the nature of the acquired measurement signal, which can either be based on magnetic or optical detection. The underlying measurement principles of the different techniques are discussed, and biosensing examples for all techniques are reported, thereby demonstrating the broad applicability of homogeneous in vitro biosensing based on magnetic particle label actuation.

Microwave-induced carbon nanotubes catalytic degradation of organic pollutants in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Chen, Jing; Xue, Shuang; Song, Youtao; Shen, Manli [School of Environment Science, Liaoning University, Shenyang 110036 (China); Zhang, Zhaohong, E-mail: lnuhjhx@163.com [School of Environment Science, Liaoning University, Shenyang 110036 (China); Yuan, Tianxin; Tian, Fangyuan [School of Environment Science, Liaoning University, Shenyang 110036 (China); Dionysiou, Dionysios D., E-mail: dionysios.d.dionysiou@uc.edu [Environmental Engineering and Science Program, University of Cincinnati, Cincinnati, OH 45221-0012 (United States)

2016-06-05

Highlights: • Microwave-induced CNTs-based catalytic degradation technology is developed. • Microwave catalytic activities of CNTs with different diameters are compared. • Organic pollutants with different structure can be degraded in MW/CNTs system. • The 10–20 nm CNTs shows the higher catalytic activity under MW irradiation. - Abstract: In this study, a new catalytic degradation technology using microwave induced carbon nanotubes (MW/CNTs) was proposed and applied in the treatment of organic pollutants in aqueous solution. The catalytic activity of three CNTs of 10–20 nm, 20–40 nm, and 40–60 nm diameters were compared. The results showed that organic pollutants such as methyl orange (MO), methyl parathion (MP), sodium dodecyl benzene sulfonate (SDBS), bisphenol A (BPA), and methylene blue (MB) in aqueous solution could be degraded effectively and rapidly in MW/CNTs system. CNTs with diameter of 10–20 nm exhibited the highest catalytic activity of the three CNTs under MW irradiation. Further, complete degradation was obtained using 10–20 nm CNTs within 7.0 min irradiation when 25 mL MO solution (25 mg/L), 1.2 g/L catalyst dose, 450 W, 2450 MHz, and pH = 6.0 were applied. The rate constants (k) for the degradation of SDBS, MB, MP, MO and BPA using 10–20 nm CNTs/MW system were 0.726, 0.679, 0.463, 0.334 and 0.168 min{sup −1}, respectively. Therefore, this technology may have potential application for the treatment of targeted organic pollutants in wastewaters.

Microwave-induced carbon nanotubes catalytic degradation of organic pollutants in aqueous solution

International Nuclear Information System (INIS)

Chen, Jing; Xue, Shuang; Song, Youtao; Shen, Manli; Zhang, Zhaohong; Yuan, Tianxin; Tian, Fangyuan; Dionysiou, Dionysios D.

2016-01-01

Highlights: • Microwave-induced CNTs-based catalytic degradation technology is developed. • Microwave catalytic activities of CNTs with different diameters are compared. • Organic pollutants with different structure can be degraded in MW/CNTs system. • The 10–20 nm CNTs shows the higher catalytic activity under MW irradiation. - Abstract: In this study, a new catalytic degradation technology using microwave induced carbon nanotubes (MW/CNTs) was proposed and applied in the treatment of organic pollutants in aqueous solution. The catalytic activity of three CNTs of 10–20 nm, 20–40 nm, and 40–60 nm diameters were compared. The results showed that organic pollutants such as methyl orange (MO), methyl parathion (MP), sodium dodecyl benzene sulfonate (SDBS), bisphenol A (BPA), and methylene blue (MB) in aqueous solution could be degraded effectively and rapidly in MW/CNTs system. CNTs with diameter of 10–20 nm exhibited the highest catalytic activity of the three CNTs under MW irradiation. Further, complete degradation was obtained using 10–20 nm CNTs within 7.0 min irradiation when 25 mL MO solution (25 mg/L), 1.2 g/L catalyst dose, 450 W, 2450 MHz, and pH = 6.0 were applied. The rate constants (k) for the degradation of SDBS, MB, MP, MO and BPA using 10–20 nm CNTs/MW system were 0.726, 0.679, 0.463, 0.334 and 0.168 min"−"1, respectively. Therefore, this technology may have potential application for the treatment of targeted organic pollutants in wastewaters.

Heterogeneous catalytic epoxidation of C/sub 8/-C/sub 1/4 olefins by tert. -butyl hydroperoxide

Energy Technology Data Exchange (ETDEWEB)

Dahlmann, J; Hoeft, E; Boeden, H F; Dilcher, H

1979-09-01

Heterogeneous catalytic epoxidation of C/sub 8/-C/sub 14/ olefins by tert.-butyl hydroperoxide (TBHP) avoids large product losses to side reactions, associated with the use of homogeneous catalysts, such as Mo(CO)/sub 6/. With an unsupported MoO/sub 3/ catalyst, 48% TBHP conversion was achieved after one hour (vs. 24% after two hours for Mo(CO)/sub 6/) in 1-octene epoxidation at 90/sup 0/C and 2:1:3 octene/TBHP/toluene (solvent) molar ratio. The use of silica-supported catalysts, such as Bi/sub 9/PMo/sub 12/O/sub 52//30% SiO/sub 2/ (ACN, an industrial catalyst for acrylonitrile), MoO/sub 3//30% SiO/sub 2/ (D-1), 3MoO/sub 3/-Sb/sub 2/O/sub 5//50% SiO/sub 2/ (D-2), or 2MoO/sub 3/-As/sub 2/O/sub 3//50% SiO/sub 2/ (D-3) increased the conversion to 68, 67, 70, and 73%, respectively, with up to 95-99% selectivities for the epoxide. Under optimum conditions of 3:1 olefin/TBHP, 110/sup 0/C, and 2-4 g/l. catalyst, TBHP conversions in epoxidation of 1-tetradecene in a batch reactor over ACN, D-2, and D-3 after two hours were 94, 88, and 91%, respectively, but they decreased to 52, 78, and 79%, respectively, after five two-hour operating cycles. In epoxidation of 1-decene or a mixture of decene isomers (a model for the industrial olefin mixtures obtained by paraffin dehydrogenation via the Parex process) carried out in a continuous flow reactor over the D-3 catalyst at 90/sup 0/-110/sup 0/C, stable catalytic activities with TBHP conversions of approx. 90% and 90-96% selectivities for epoxides were observed for about 900 hr.

Dimension meditated optic and catalytic performance over vanadium pentoxides

International Nuclear Information System (INIS)

Su, Dezhi; Zhao, Yongjie; Zhang, Ruibo; Ning, Mingqiang; Zhao, Yuzhen; Zhou, Heping; Li, Jingbo; Jin, Haibo

2016-01-01

Highlights: • V_2O_5 with diverse dimensional morphologies were synthesized. • The optic properties of diverse dimensional V_2O_5 were investigated in detail. • The catalytic properties of diverse dimensional V_2O_5 on the thermal decomposition of ammonium perchlorate were analyzed. - Abstract: Morphologies and sizes of V_2O_5 had crucial effect on their optic and catalytic performance. Diverse dimensional V_2O_5 were successfully synthesized by the combination of a hydrothermal and post heat treatment method. The as-obtained samples were characterized by X-ray power diffraction, scanning electron microscopy, transmission electron microscopy and Raman spectra. Moreover, the optic properties of diverse dimensional V_2O_5 were examined by Fourier transform imaging spectrometer and UV–vis-spectrophotometer. It showed that the IR transmittance of nanowire (at 1019 cm"−"1 is 85%) and UV absorbance of microflowers (at 480 nm) were high. Furthermore, the catalytic properties of diverse dimensional V_2O_5 on the thermal decomposition of ammonium perchlorate were evaluated and compared by Thermo-Gravimetric Analysis and Differential Scanning Calorimetry. Moreover, the best catalytic performance was obtained with the morphology of nanowire. It showed the thermal decomposition temperatures of AP with nanowire, microflowers and microsphere were reduced to 373 °C, 382 °C and 376 °C (decreased by 52 °C, 43 °C and 49 °C).

Dimension meditated optic and catalytic performance over vanadium pentoxides

Energy Technology Data Exchange (ETDEWEB)

Su, Dezhi [Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications, School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Zhao, Yongjie, E-mail: zhaoyjpeace@gmail.com [Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications, School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Zhang, Ruibo; Ning, Mingqiang [Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications, School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Zhao, Yuzhen; Zhou, Heping [State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Li, Jingbo; Jin, Haibo [Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications, School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China)

2016-12-15

Highlights: • V{sub 2}O{sub 5} with diverse dimensional morphologies were synthesized. • The optic properties of diverse dimensional V{sub 2}O{sub 5} were investigated in detail. • The catalytic properties of diverse dimensional V{sub 2}O{sub 5} on the thermal decomposition of ammonium perchlorate were analyzed. - Abstract: Morphologies and sizes of V{sub 2}O{sub 5} had crucial effect on their optic and catalytic performance. Diverse dimensional V{sub 2}O{sub 5} were successfully synthesized by the combination of a hydrothermal and post heat treatment method. The as-obtained samples were characterized by X-ray power diffraction, scanning electron microscopy, transmission electron microscopy and Raman spectra. Moreover, the optic properties of diverse dimensional V{sub 2}O{sub 5} were examined by Fourier transform imaging spectrometer and UV–vis-spectrophotometer. It showed that the IR transmittance of nanowire (at 1019 cm{sup −1} is 85%) and UV absorbance of microflowers (at 480 nm) were high. Furthermore, the catalytic properties of diverse dimensional V{sub 2}O{sub 5} on the thermal decomposition of ammonium perchlorate were evaluated and compared by Thermo-Gravimetric Analysis and Differential Scanning Calorimetry. Moreover, the best catalytic performance was obtained with the morphology of nanowire. It showed the thermal decomposition temperatures of AP with nanowire, microflowers and microsphere were reduced to 373 °C, 382 °C and 376 °C (decreased by 52 °C, 43 °C and 49 °C).

Catalytic flash pyrolysis of oil-impregnated-wood and jatropha cake using sodium based catalysts

KAUST Repository

Imran, Ali

2015-11-24

Catalytic pyrolysis of wood with impregnated vegetable oil was investigated and compared with catalytic pyrolysis of jatropha cake making use of sodium based catalysts to produce a high quality bio-oil. The catalytic pyrolysis was carried out in two modes: in-situ catalytic pyrolysis and post treatment of the pyrolysis vapors. The in-situ catalytic pyrolysis was carried out in an entrained flow reactor system using a premixed feedstock of Na2CO3 and biomass and post treatment of biomass pyrolysis vapor was conducted in a downstream fixed bed reactor of Na2CO3/γ-Al2O3. Results have shown that both Na2CO3 and Na2CO3/γ-Al2O3 can be used for the production of a high quality bio-oil from catalytic pyrolysis of oil-impregnated-wood and jatropha cake. The catalytic bio-oil had very low oxygen content, water content as low as 1wt.%, a neutral pH, and a high calorific value upto 41.8MJ/kg. The bio-oil consisted of high value chemical compounds mainly hydrocarbons and undesired compounds in the bio-oil were either completely removed or considerably reduced. Increasing the triglycerides content (vegetable oil) in the wood enhanced the formation of hydrocarbons in the bio-oil. Post treatment of the pyrolysis vapor over a fixed bed of Na2CO3/γ-Al2O3 produced superior quality bio-oil compared to in-situ catalytic pyrolysis with Na2CO3. This high quality bio-oil may be used as a precursor in a fractionating process for the production of alternative fuels. © 2015 Elsevier B.V.

Homogenization of High-Contrast Brinkman Flows

KAUST Repository

Brown, Donald L.; Efendiev, Yalchin R.; Li, Guanglian; Savatorova, Viktoria

2015-01-01

, Homogenization: Methods and Applications, Transl. Math. Monogr. 234, American Mathematical Society, Providence, RI, 2007, G. Allaire, SIAM J. Math. Anal., 23 (1992), pp. 1482--1518], although a powerful tool, are not applicable here. Our second point

Homogenization and Control of Lattice Structures

National Research Council Canada - National Science Library

Blankenship, G. L

1985-01-01

...., trusses may be modeled by beam equations). Using a technique from the mathematics of asymptotic analysis called "homogenization," the author shows how such approximations may be derived in a systematic way that avoids errors made using...

High-efficiency plasma catalytic removal of dilute benzene from air

International Nuclear Information System (INIS)

Fan, Hong-Yu; Shi, Chuan; Li, Xiao-Song; Zhao, De-Zhi; Xu, Yong; Zhu, Ai-Min

2009-01-01

Achieving complete oxidation, good humidity tolerance and low energy cost is the key issue that needs to be addressed in plasma catalytic volatile organic compounds removal from air. For this purpose, Ag/HZSM-5 catalyst-packed dielectric barrier discharge using a cycled system composed of a storage stage and a discharge stage was studied. For dilute benzene removal from simulated air, Ag/HZSM-5 catalysts exhibit not only preferential adsorption of benzene in humid air at the storage stage but also almost complete oxidation of adsorbed benzene at the discharge stage. Five 'storage-discharge' cycles were examined, which suggests that Ag/HZSM-5 catalysts are very stable during the cycled 'storage-discharge' (CSD) plasma catalytic process. High oxidation rate of absorbed benzene as well as low energy cost can be achieved at a moderate discharge power. In an example of the CSD plasma catalytic remedy of simulated air containing 4.7 ppm benzene with 50% RH and 600 ml min -1 flow rate, the energy cost was as low as 3.7 x 10 -3 kWh m -3 air. This extremely low energy cost to remove low-concentration pollutants from air undoubtedly makes the environmental applications of the plasma catalytic technique practical.